references.bib

@book{1970Atkins,
author = {Atkins, Peter W.},
address = {Oxford University Press},
booktitle = {Tables for Group Theory},
isbn = {0198551312},
keywords = {Group theory -- Tables},
language = {english},
lccn = {7305-0447//r863},
publisher = {London},
title = {Tables for Group Theory },
year = {1970},
url={https://fdslive.oup.com/www.oup.com/orc/resources/chemistry/qchem2e/student/tables/tables_for_group_theory.pdf},
}

@book{2006Atkins,
  title={{Atkins' Physical Chemistry}},
  author={Atkins, P. and De Paula, J.},
  isbn={9780716771111},
  url={https://books.google.co.uk/books?id=OxYTMQAACAAJ},
  year={2006},
  publisher={Macmillan Higher Education}
}

@book{1973Bishop,
author = {Bishop, David M.},
address = {Oxford},
booktitle = {Group Theory and Chemistry},
isbn = {0198551401},
keywords = {Chemistry, Physical and theoretical},
language = {english},
lccn = {7401-0972},
publisher = {Clarendon Press},
title = {Group Theory and Chemistry},
year = {1973},
url={https://books.google.ba/books?id=pn_1DAAAQBAJ&printsec=frontcover#v=onepage&q&f=false},
}

@book{1998Carter,
author = {Carter, Robert L.},
address = {New York},
booktitle = {Molecular Symmetry and Group Theory},
isbn = {0471149551},
keywords = {Molecular theory},
language = {english},
lccn = {97025445},
publisher = {J. Wiley},
title = {Molecular Symmetry and Group Theory},
year = {1998},
url={https://www.wiley.com/en-us/Molecular+Symmetry+and+Group+Theory-p-9780471149552},
}

@book{1963Cotton,
author = {Cotton, F. Albert},
address = {New York},
booktitle = {Chemical Applications of Group Theory},
isbn = {0470175389},
keywords = {Molecular theory},
language = {english},
publisher = {Interscience},
title = {Chemical Applications of Group Theory},
year = {1963},
url={https://openlibrary.org/works/OL3486622W/Chemical_applications_of_group_theory},
}

@book{1990Cotton,
author = {Cotton, F. Albert},
address = {New York},
booktitle = {Chemical Applications of Group Theory},
edition = {3rd ed.},
isbn = {0471510947},
keywords = {Molecular theory},
language = {english},
publisher = {Wiley},
series = {Wiley-Interscience publication},
title = {Chemical Applications of Group Theory},
year = {1990},
url = {https://books.google.co.uk/books?id=dgjwAAAAMAAJ&source=gbs_book_other_versions},
}

@book{1991Davidson,
author = {Davidson, George},
address = {Basingstoke},
booktitle = {Group Theory for Chemists},
isbn = {0333492978},
keywords = {Group theory},
language = {english},
lccn = {LC 91-183650},
publisher = {Macmillan},
series = {Macmillan physical science},
title = {Group Theory for Chemists},
year = {1991},
url={https://link.springer.com/book/10.1007/978-1-349-21357-3},
}

@book{1993Diem,
author = {Diem, Max},
address = {New York},
booktitle = {Introduction to Modern Vibrational Spectroscopy},
isbn = {0471595845},
keywords = {Vibrational spectra},
language = {english},
lccn = {LC 93-1036},
publisher = {Wiley},
title = {Introduction to Modern Vibrational Spectroscopy},
year = {1993},
url={https://openlibrary.org/works/OL3900489W/Introduction_to_modern_vibrational_spectroscopy?edition=key%3A/books/OL1393848M},
}

@book{1977Drago,
author = {Drago, Russell S.},
address = {Philadelphia},
booktitle = {Physical Methods in Chemistry},
isbn = {0721631843},
keywords = {Chemistry, Physical and theoretical},
language = {english},
publisher = {Saunders},
series = {Saunders golden sunburst series},
title = {Physical Methods in Chemistry},
year = {1977},
url={https://openlibrary.org/works/OL3681065W/Physical_methods_in_chemistry?edition=ia%3Aphysicalmethodsi0000drag},
}

@book{1969Ferraro,
  title={Introduction to Group Theory and Its Application to Molecular Structure},
  author={Ferraro, J.R. and Ziomek, J.S.},
  isbn={9780306303456},
  lccn={68028096},
  url={https://books.google.fr/books?id=1PvRtQEACAAJ},
  year={1969},
  publisher={Plenum Press}
}

@book{1975Ferraro,
title = {Introduction to Group Theory and Its Application to Molecular Structure},
author = {Ferraro, John R., 1918-},
editor = {Ziomek, Joseph S., 1913-},
address = {New York},
publisher = {Plenum Press},
year = {1975},
edition = {Array},
pages = {292},
url = {https://link.springer.com/book/10.1007/978-1-4684-8795-4},
}

@book{1969Ferraro,
  author={Ferraro, John R. and Ziomek, Joseph S.},
  title={{Introductory Group Theory: And Its Application to Molecular Structure}},
  year="1969",
  publisher="Springer US",
  address="Boston, MA",
  url={https://link.springer.com/book/10.1007/978-1-4899-6471-7},
}

@book{1975Ferraro,
  author={Ferraro, John R. and Ziomek, Joseph S.},
  title={{Introductory Group Theory and Its Application to Molecular Structure}},
  year="1975",
  publisher="Springer US",
  address="Boston, MA",
  url={https://link.springer.com/book/10.1007/978-1-4684-8795-4},
}

@book{Guillory1977IntroductionTM,
  title={Introduction to Molecular Structure and Spectroscopy},
  author={William A. Guillory},
  year={1977},
  url={https://api.semanticscholar.org/CorpusID:152447944}
}

@book{hall1969group,
  title={Group Theory and Symmetry in Chemistry},
  author={Hall, L.H.},
  isbn={9780608099392},
  lccn={69013607},
  url={https://books.google.fr/books?id=dElCAAAAIAAJ},
  year={1969},
  publisher={McGraw-Hill}
}

@book{harris1978symmetry,
  title={Symmetry and Spectroscopy: An Introduction to Vibrational and Electronic Spectroscopy},
  author={Harris, D.C. and Bertolucci, M.D.},
  isbn={9780195020014},
  lccn={lc77012189},
  url={https://books.google.fr/books?id=a34oAQAAMAAJ},
  year={1978},
  publisher={Oxford University Press}
}

@book{1966Hochstrasser,
author = {Hochstrasser, Robin M.},
address = {New York},
booktitle = {Molecular Aspects of Symmetry},
keywords = {Molecular theory},
language = {english},
lccn = {66013996 //r90},
publisher = {W. A. Benjamin},
title = {Molecular Aspects of Symmetry},
year = {1966},
url={https://openlibrary.org/works/OL10415148W/Molecular_aspects_of_symmetry},
}

@book{1972Hollas,
author = {Hollas, J. Michael},
address = {London},
booktitle = {Symmetry in Molecules},
isbn = {041209570X},
keywords = {Molecules},
language = {english},
publisher = {Chapman and Hall},
series = {Chapman and Hall chemistry textbook series},
title = {Symmetry in molecules },
year = {1972},
url={https://openlibrary.org/works/OL2737204W/Symmetry_in_molecules?edition=key%3A/books/OL5333990M},
}

@book{2005Jacobs,
author = {Jacobs, P. W. M.},
address = {Cambridge},
booktitle = {Group Theory with Applications in Chemical Physics},
isbn = {0521642507},
keywords = {Group theory},
language = {english},
publisher = {Cambridge University Press},
title = {Group theory with applications in chemical physics },
year = {2005},
url={https://www.cambridge.org/core/books/group-theory-with-applications-in-chemical-physics/0909D286676BC533E9C7A2F8BEDF8D64},
}

@book{liboff2003primer,
  title={Primer for Point and Space Groups},
  author={Liboff, R.},
  isbn={9780387402482},
  lccn={2003050662},
  series={Undergraduate Texts in Contemporary Physics},
  url={https://books.google.fr/books?id=GR_ZI-2XqPcC},
  year={2003},
  publisher={Springer New York}
}

@book{2000Ohrn,
author = {Ohrn, Yngve.},
address = {New York},
booktitle = {Elements of Molecular Symmetry},
isbn = {0471363235},
keywords = {Molecular theory},
language = {english},
lccn = {99039819},
publisher = {Wiley Interscience},
title = {Elements of Molecular Symmetry},
year = {2000},
url={https://www.wiley.com/en-us/Elements+of+Molecular+Symmetry-p-9780471363231},
}

@book{schutte1976theory,
  title={The Theory of Molecular Spectroscopy: The Quantum Mechanics and Group Theory of Vibrating and Rotating Molecules},
  author={Schutte, C.J.H.},
  number={v. 1},
  url={https://books.google.fr/books?id=REOszgEACAAJ},
  year={1976},
  publisher={North-Holland Publishing Company}
}

@book{1970Urch,
author = {Urch, D. S.},
address = {Harmondsworth},
booktitle = {Orbitals and Symmetry},
isbn = {0140800980},
keywords = {Molecular orbitals},
publisher = {Penguin Books},
series = {Penguin library of physical sciences. Chemistry.},
title = {Orbitals and Symmetry },
year = {1970},
url={https://openlibrary.org/works/OL6809396W/Orbitals_and_symmetry?edition=key%3A/books/OL29369962M},
}


@book{1971Cotton,
author = {Cotton, F. Albert},
address = {New York},
booktitle = {Chemical Applications of Group Theory},
edition = {2nd ed.},
isbn = {0471175706},
keywords = {Group theory},
language = {english},
lccn = {7601-9657//r84},
publisher = {Wiley-Interscience},
title = {Chemical Applications of Group Theory},
year = {1971},
url = {https://books.google.co.uk/books/about/Chemical_Applications_of_Group_Theory.html?id=-gXwAAAAMAAJ&redir_esc=y},
}

@book{1978Lowe,
author = {Lowe, John P.},
address = {New York},
booktitle = {Quantum Chemistry},
isbn = {0124575501},
keywords = {Quantum Chemistry},
language = {english},
publisher = {Academic Press},
title = {Quantum Chemistry },
year = {1978},
url={https://shop.elsevier.com/books/quantum-chemistry/lowe/978-0-12-457550-9},
}

@book{1993Lowe,
author = {Lowe, John P.},
address = {Boston},
booktitle = {Quantum Chemistry},
edition = {2nd ed},
isbn = {0124575552},
keywords = {Quantum Chemistry},
language = {english},
lccn = {LC 92-42977},
publisher = {Academic Press},
title = {Quantum Chemistry },
year = {1993},
url={https://shop.elsevier.com/books/quantum-chemistry/lowe/978-0-08-051554-0},
}

@book{2005Lowe,
  title={{Quantum Chemistry}},
  author={Lowe, J.P. and Peterson, K.},
  isbn={9780124575516},
  lccn={92042977},
  url={https://shop.elsevier.com/books/quantum-chemistry/lowe/978-0-12-457551-6},
  year={2005},
  publisher={Elsevier Science}
}


@book{1977Vincent,
author = {Vincent, Alan},
address = {Chichester},
booktitle = {Molecular Symmetry and Group Theory : a Programmed Introduction to Chemical Applications},
isbn = {0471018678},
keywords = {Molecular theory -- Programmed instruction},
language = {english},
publisher = {Wiley},
title = {Molecular Symmetry and Group Theory : a Programmed Introduction to Chemical Applications},
year = {1977},
url={https://www.semanticscholar.org/paper/Molecular-symmetry-and-group-theory%3A-A-programmed-Vincent/350cddfa63dfdc38b63e9ef79304e9f9b850eeeb},
}

@article{deutsche1928zeitschrift,
  journal={Zeitschrift f{\"u}r Physik},
  author={Erwin Fues},
  volume={51},
  lccn={sn86000855},
  year={1928},
  pages   = {817},
  publisher={Der Gesellschaft},
}

@article{drude1927annalen,
  journal={Annalen Der Physik},
  author={Albrecht Uns\"{o}ld},
  volume={82},
  lccn={50013519},
  url={https://books.google.fr/books?id=YH8OAAAAIAAJ},
  pages   = {255},
  year={1927},
  publisher={J.A. Barth},
}

@Article{Weyl1925,
author={Hermann Weyl},
title={Theorie der Darstellung kontinuierlicher halb-einfacher Gruppen durch lineare Transformationen. I},
journal={Mathematische Zeitschrift},
year={1925},
month={Dec},
day={01},
volume={23},
number={1},
pages={271-309},
issn={1432-1823},
doi={10.1007/BF01506234},
url={https://doi.org/10.1007/BF01506234}
}

@Article{Weyl1926_1,
author={Hermann Weyl},
title={{Theorie der Darstellung kontinuierlicher halb-einfacher Gruppen durch lineare Transformationen. II}},
journal={Mathematische Zeitschrift},
year={1926},
month={Dec},
day={01},
volume={24},
number={1},
pages={328-376},
issn={1432-1823},
doi={10.1007/BF01216788},
url={https://doi.org/10.1007/BF01216788}
}

@Article{Weyl1926_2,
author={Hermann Weyl},
title={{Theorie der Darstellung kontinuierlicher halb-einfacher Gruppen durch lineare Transformationen. III}},
journal={Mathematische Zeitschrift},
year={1926},
month={Dec},
day={01},
volume={24},
number={1},
pages={377-395},
issn={1432-1823},
doi={10.1007/BF01216789},
url={https://doi.org/10.1007/BF01216789}
}

@Article{Weyl1926_3,
author={Hermann Weyl},
title={{Nachtrag zu der Arbeit: Theorie der Darstellung kontinuierlicher halb-einfacher Gruppen durch lineare Transformationen. III}},
journal={Mathematische Zeitschrift},
year={1926},
month={Dec},
day={01},
volume={24},
number={1},
pages={789-791},
issn={1432-1823},
doi={10.1007/BF01216812},
url={https://doi.org/10.1007/BF01216812}
}

@Article{Schreier1925,
author={Otto Schreier},
title={{Abstrakte kontinuierliche Gruppen}},
journal={{Abhandlungen aus dem Mathematischen Seminar der Universit{\"a}t Hamburg}},
year={1925},
month={Dec},
day={01},
volume={4},
number={1},
pages={15-32},
issn={1865-8784},
doi={10.1007/BF02950716},
url={https://doi.org/10.1007/BF02950716}
}

@Article{Schreier1927,
author={Otto Schreier},
title={{Die Verwandtschaft stetiger Gruppen im gro{\ss}en}},
journal={Abhandlungen aus dem Mathematischen Seminar der Universit{\"a}t Hamburg},
year={1927},
month={Dec},
day={01},
volume={5},
number={1},
pages={233-244},
issn={1865-8784},
doi={10.1007/BF02952524},
url={https://doi.org/10.1007/BF02952524}
}

@book{wigner1931gruppentheorie,
  title={{Gruppentheorie und ihre Anwendung auf die Quantenmechanik der Atomspektren}},
  author={Wigner, Eugene Paul},
  isbn={9783663006428},
  lccn={31018809},
  series={{Die Wissenschaft : Sammlung von Einzelderstellungen aus den Gebieten der Naturwissenschaft und der Technik}},
  url={https://books.google.de/books?id=h2s6AAAAMAAJ},
  year={1931},
  publisher={F. Vieweg \& Sohn Akt.-Ges.}
}

@book{1959Wigner,
author = {Wigner, Eugene Paul},
address = {New York},
booktitle = {{Group Theory and its Application to the Quantum Mechanics of Atomic Spectra}},
edition = {Expanded and improved ed.},
keywords = {Group theory},
language = {english},
lccn = {LC 59-10741},
publisher = {Academic Press},
series = {Pure and applied physics ; Vol. 5},
title = {{Group Theory and its Application to the Quantum Mechanics of Atomic Spectra}},
year = {1959},
url = {https://www.sciencedirect.com/bookseries/pure-and-applied-physics/vol/5/suppl/C},
}

@article{1929Bethe,
author = {Bethe, H.},
title = {{Termaufspaltung in Kristallen}},
journal = {Annalen der Physik},
volume = {395},
number = {2},
pages = {133-208},
doi = {https://doi.org/10.1002/andp.19293950202},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/andp.19293950202},
xxxeprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/andp.19293950202},
abstract = {Abstract Der Einfluß eines elektrischen Feldes von vorgegebener Symmetrie (Kristallfeld) auf ein Atom wird wellenmechanisch behandelt. Die Terme des Atoms spalten auf in einer Weise, die von der Symmetrie des Feldes und vom Drehimpuls l (bzw. j) des Atoms abhängt. s-Terme spalten allgemein, p-Terme in Feldern von kubischer Symmetrie nicht auf. Für den Fall, daß die einzelnen Elektronen des Atoms separat behandelt werden dürfen (aufgehobene Wechselwirkung im Atom), werden zu jedem Term im Kristall die Eigenfunktionen nullter Näherung angegeben; aus diesen ergibt sich eine für den Term charakteristische Gruppierung der Elektronendichte nach den Symmetrieachsen des Kristalls. — Die Größe der Termaufspaltung bewegt sich in der Ordnung einiger hundert cm−1. — Bei tetragonaler Symmetrie kann ein quantitatives Maß für die Abweichung von der kubischen Symmetrie definiert werden, welches eindeutig die stabilste Elektronenanordnung im Kristall bestimmt.},
year = {1929},
}

@article{1954Coxeter,
abstract = {Uniform polyhedra have regular faces meeting in the same manner at every vertex. Besides the five Platonic solids, the thirteen Archimedean solids, the four regular star-polyhedra of Kepler (1619) and Poinsot (1810), and the infinite families of prisms and antiprisms, there are at least fifty-three others, forty-one of which were discovered by Badoureau (1881) and Pitsch (1881). The remaining twelve were discovered by two of the present authors (H.S.M.C. and J.C.P.M.) between 1930 and 1932, but publication was postponed in the hope of obtaining a proof that there are no more. Independently, between 1942 and 1944, the third author (M.S.L.-H.) in collaboration with H. C. Longuet-Higgins, rediscovered eleven of the twelve. We now believe that further delay is pointless; we have temporarily abandoned our hope of obtaining a proof that our enumeration is complete, but we shall be much surprised if any new uniform polyhedron is found in the future. We have classified the known figures with the aid of a systematic notation and we publish drawings (by J.C.P.M.) and photographs of models (by M .S.L.-H.) which include all those not previously constructed. One remarkable new polyhedron is contained in the present list, having eight edges at a vertex. This is the only one which cannot be derived immediately from a spherical triangle by Wythoff's construction.},
author = {Coxeter, Harold Scott Macdonald and Longuet-Higgins, Michael Selwyn and Miller, J. C. P.},
address = {London},
copyright = {Scanned images copyright © 2017, Royal Society},
issn = {1364-503X},
journal = {Philosophical transactions of the Royal Society of London. Series A: Mathematical and physical sciences},
keywords = {Cubes ; Octahedrons ; Pentagrams ; Polygons ; Polyhedrons ; Tessellations ; Trapezoids ; Triangles ; Truncation ; Vertices},
language = {english},
number = {916},
pages = {401-450},
publisher = {The Royal Society},
title = {Uniform Polyhedra},
volume = {246},
year = {1954},
url={https://royalsocietypublishing.org/doi/10.1098/rsta.1954.0003},
}

@article{1970Sopov,
    author = {Sopov, S. P.},
    title = {{A Proof of the Completeness on the List of Elementary Homogeneous Polyhedra}},
    journal = {Ukrainskiui Geometricheskiui Sbornik},
    year = {1970},
    pages = {139–156},
    url={https://mathscinet.ams.org/mathscinet/relay-station?mr=0326550},
}

@article{1975Skilling,
abstract = {A definitive enumeration of all uniform polyhedra is presented (a uniform polyhedron has all vertices equivalent and all its faces regular polygons). It is shown that the set of uniform polyhedra presented by Coxeter, Longuet-Higgins & Miller (1953) is essentially complete. However, after a natural extension of their definition of a polyhedron to allow the coincidence of two or more edges, one extra polyhedron is found, namely the great disnub dirhombidodecahedron.},
author = {Skilling, J.},
address = {London},
copyright = {Scanned images copyright © 2017, Royal Society},
issn = {1364-503X},
journal = {Philosophical transactions of the Royal Society of London. Series A: Mathematical and physical sciences},
keywords = {Cubes ; Decimals ; Even numbers ; Great circles ; Polygons ; Polyhedrons ; Squares ; Symmetry ; Triangles ; Vertices},
language = {english},
number = {1278},
pages = {111-135},
publisher = {The Royal Society},
title = {{The Complete Set of Uniform Polyhedra}},
volume = {278},
year = {1975},
url={https://royalsocietypublishing.org/doi/10.1098/rsta.1975.0022},
}

@article{2021Bruneval,
author = {Bruneval, Fabien and Dattani, Nike and Setten, Michiel},
year = {2021},
month = {12},
title = {{The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecule}},
volume = {9},
journal = {Frontiers in Chemistry},
doi = {10.3389/fchem.2021.749779},
url={https://www.frontiersin.org/articles/10.3389/fchem.2021.749779/full},
}

@article{2023Monzel,
    author = {Monzel, Laurenz and Holzer, Christof and Klopper, Wim},
    title = "{Natural virtual orbitals for the GW method in the random-phase approximation and beyond}",
    journal = {The Journal of Chemical Physics},
    volume = {158},
    number = {14},
    pages = {144102},
    year = {2023},
    month = {04},
    abstract = "{The increasingly popular GW method is becoming a convenient tool to determine vertical ionization energies in molecular systems. However, depending on the formalism used and the range of orbitals investigated, it may be hampered by a steep computational scaling. To alleviate this issue, correlated natural virtual orbitals (NVOs) based on second-order Møller–Plesset (MP2) and direct MP2 correlation energies are implemented, and the resulting correlated NVOs are tested on GW quasiparticle energies. Test cases include the popular GW variants G0W0 and evGW0 as well as more elaborate vertex corrections. We find that for increasingly larger molecular systems and basis sets, NVOs considerably improve efficiency. Furthermore, we test the performance of the truncated (frozen) NVO ansatz on the GW100 test set. For the latter, it is demonstrated that, using a carefully chosen truncation threshold, NVOs lead to a negligible loss in accuracy while providing speedups of one order of magnitude. Furthermore, we compare the resulting quasiparticle energies to very accurate vertical ionization energies obtained from coupled-cluster theory with singles, doubles, and noniterative triples [CCSD(T)], confirming that the loss in accuracy introduced by truncating the NVOs is negligible compared to the methodical errors in the GW approximation. It is also demonstrated that the choice of basis set impacts results far more than using a suitably truncated NVO space. Therefore, at the same computational expense, more accurate results can be obtained using NVOs. Finally, we provide improved reference CCSD(T) values for the GW100 test set, which have been obtained using the def2-QZVPP basis set.}",
    issn = {0021-9606},
    doi = {10.1063/5.0144469},
    url = {https://doi.org/10.1063/5.0144469},
    xxxeprint = {https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0144469/16824815/144102\_1\_5.0144469.pdf},
}

@article{2015Krause,
author = {Katharina Krause and Michael E. Harding and Wim Klopper},
title = {Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods},
journal = {Molecular Physics},
volume = {113},
number = {13-14},
pages = {1952-1960},
year  = {2015},
publisher = {Taylor & Francis},
doi = {10.1080/00268976.2015.1025113},
url = {https://doi.org/10.1080/00268976.2015.1025113},
xxxeprint = {https://doi.org/10.1080/00268976.2015.1025113}
}

@Book{Sutton1958,
author={Sutton, Leslie Ernest
and Bowen, H. J. M.},
title={{Tables of Interatomic Distances and Configuration in Molecules and Ions}},
year={1958},
publisher={Chemical Society London},
address={London},
language={english},
url={https://openlibrary.org/works/OL22433799W/Tables_of_interatomic_distances_and_configuration_in_molecules_and_ions?edition=key%3A/books/OL6267250M},
}

@Book{Sutton1965,
author={Sutton, Leslie Ernest},
title={{Tables of Interatomic Distances and Configuration in Molecules and Ions}},
year={1965},
publisher={Chemical Society London},
address={London},
language={english},
url={https://openlibrary.org/works/OL9683988W/Tables_of_Interatomic_Distances_and_Configuration_in_Molecules_and_Ions?edition=key%3A/books/OL11600076M},
}

@book{2019Vogt,
abstract = {This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt-Börnstein volumes "Structure Data of Free Polyatomic Molecules" (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations},
author = {Vogt, N.},
address = {Cham, Switzerland},
booktitle = {{Structure Data of Free Polyatomic Molecules}},
isbn = {9783030294304},
keywords = {Molecular structure -- Tables},
language = {english},
publisher = {Springer},
title = {{Structure Data of Free Polyatomic Molecules}},
year = {2019},
url={https://link.springer.com/book/10.1007/978-3-030-29430-4},
}

@book{Landolt-Bornstein25A,
    author = {K. Kuchitsu},
    title = {{Structure Data of Free Polyatomic Molecules · Inorganic Molecules}},
    publisher = {Springer},
    year = {1998},
    url={https://materials.springer.com/bp/docs/978-3-540-70686-1},
}

@book{Landolt-Bornstein25B,
    author = {K. Kuchitsu},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules containing One or Two Carbon Atoms}},
    publisher = {Springer},
    year = {1999},
    url={https://materials.springer.com/bp/docs/978-3-540-69624-7},
}

@book{Landolt-Bornstein25C,
    author = {K. Kuchitsu},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules containing Three or Four Carbon Atoms}},
    publisher = {Springer},
    year = {2001},
    url={https://materials.springer.com/bp/docs/978-3-540-46705-2},
}

@book{Landolt-Bornstein25D,
    author = {K. Kuchitsu},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules Containing Five or More Carbon Atoms}},
    publisher = {Springer},
    year = {2003},
    url={https://materials.springer.com/bp/docs/978-3-540-45569-1},
}

@book{Landolt-Bornstein28A,
    author = {K. Kuchitsu, M. Tanimoto, N. Vogt},
    title = {{Structure Data of Free Polyatomic Molecules · Inorganic Molecules Supplement to Volume II/25}},
    publisher = {Springer},
    year = {2006},
    url={https://materials.springer.com/bp/docs/978-3-540-37251-6},
}

@book{Landolt-Bornstein28B,
    author = {K. Kuchitsu, M. Tanimoto, N. Vogt},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules containing One or Two Carbon Atoms Supplement to Volume II/25}},
    publisher = {Springer},
    year = {2006},
    url={https://materials.springer.com/bp/docs/978-3-540-37489-3},
}

@book{Landolt-Bornstein28C,
    author = {K. Kuchitsu, M. Tanimoto, N. Vogt},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules containing Three or Four Carbon Atoms Supplement to Volume II/25}},
    publisher = {Springer},
    year = {2007},
    url={https://materials.springer.com/bp/docs/978-3-540-44740-5},
}

@book{Landolt-Bornstein28D,
    author = {K. Kuchitsu, M. Tanimoto, N. Vogt},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules containing Five or More Carbon Atoms Supplement to Volume II/25}},
    publisher = {Springer},
    year = {2007},
    url={https://materials.springer.com/bp/docs/978-3-540-44742-9},
}

@book{Landolt-Bornstein30A,
    author = {K. Kuchitsu, N. Vogt, M. Tanimoto},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules Containing No Carbon Atoms and Molecules Containing One or Two Carbon Atoms}},
    publisher = {Springer},
    year = {2014},
    url={https://materials.springer.com/bp/docs/978-3-540-70614-4},
}

@book{Landolt-Bornstein30B,
    author = {K. Kuchitsu, N. Vogt, M. Tanimoto},
    title = {{Structure Data of Free Polyatomic Molecules · Molecules Containing Three or Four Carbon Atoms and Molecules Containing Five or More Carbon Atoms}},
    publisher = {Springer},
    year = {2014},
    url={https://materials.springer.com/bp/docs/978-3-642-41504-3},
}

@book{1955Wilson,
author = {Wilson, E. Bright},
address = {New York ;},
booktitle = {{Molecular vibrations : the theory of infrared and Raman vibrational spectra}},
keywords = {Vibrational spectra},
language = {english},
lccn = {LC 54-8099},
publisher = {McGraw-Hill},
title = {{Molecular vibrations : the theory of infrared and Raman vibrational spectra}},
year = {1955},
url={https://books.google.com.hk/books/about/Molecular_Vibrations.html?id=biBRAAAAMAAJ&redir_esc=y },
}

@Article{Hanwell2012,
author={Hanwell, Marcus D.
and Curtis, Donald E.
and Lonie, David C.
and Vandermeersch, Tim
and Zurek, Eva
and Hutchison, Geoffrey R.},
title={Avogadro: an advanced semantic chemical editor, visualization, and analysis platform},
journal={Journal of Cheminformatics},
year={2012},
month={Aug},
day={13},
volume={4},
number={1},
pages={17},
abstract={The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as its native document type, Avogadro seeks to enhance the semantic accessibility of chemical data types.},
issn={1758-2946},
doi={10.1186/1758-2946-4-17},
url={https://doi.org/10.1186/1758-2946-4-17}
}

@software{Hanwell_Avogadro,
    author = {Hanwell, Marcus and Hutchison, Geoffrey},
    license = {BSD-3-Clause},
    title = {{Avogadro}},
    url = {https://github.com/openchemistry/avogadrolibs}
}

@article{baker_geometry_1991,
	title        = {Geometry optimization in cartesian coordinates: {The} end of {theZ}-matrix?},
	author       = {Baker, Jon and Hehre, Warren J.},
	year         = 1991,
	journal      = {J. Comput. Chem.},
	volume       = 12,
	number       = 5,
	pages        = {606--610},
	doi          = {10.1002/jcc.540120510},
  url          = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.540120510},
}
@article{bernhard_schlegel_estimating_1984,
	title        = {Estimating the hessian for gradient-type geometry optimizations},
	author       = {Bernhard Schlegel, H.},
	year         = 1984,
	journal      = {Theoret. Chim. Acta},
	volume       = 66,
	number       = 5,
	pages        = {333--340},
	doi          = {10.1007/BF00554788},
  url          = {https://link.springer.com/article/10.1007/BF00554788},
}
@article{pulay_systematic_1979,
	title        = {Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives},
	author       = {Pulay, Peter and Fogarasi, Geza and Pang, Frank and Boggs, James E.},
	year         = 1979,
	journal      = {J. Am. Chem. Soc.},
	volume       = 101,
	number       = 10,
	pages        = {2550--2560},
	doi          = {10.1021/ja00504a009},
  url          = {https://pubs.acs.org/doi/10.1021/ja00504a009},
}
@article{baker_generation_1996,
	title        = {The generation and use of delocalized internal coordinates in geometry optimization},
	author       = {Baker, Jon and Kessi, Alain and Delley, Bernard},
	year         = 1996,
	journal      = {The Journal of Chemical Physics},
	volume       = 105,
	number       = 1,
	pages        = {192--212},
	doi          = {10.1063/1.471864},
  url          = {https://pubs.aip.org/aip/jcp/article-abstract/105/1/192/180166/The-generation-and-use-of-delocalized-internal},
}
@article{pulay_geometry_1992,
	title        = {Geometry optimization in redundant internal coordinates},
	author       = {Pulay, P. and Fogarasi, G.},
	year         = 1992,
	journal      = {The Journal of Chemical Physics},
	volume       = 96,
	number       = 4,
	pages        = {2856--2860},
	doi          = {10.1063/1.462844},
  url          = {https://pubs.aip.org/aip/jcp/article-abstract/96/4/2856/223659/Geometry-optimization-in-redundant-internal},
}
@article{fogarasi_calculation_1992,
	title        = {The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces},
	author       = {Fogarasi, Geza and Zhou, Xuefeng and Taylor, Patterson W. and Pulay, Peter},
	year         = 1992,
	journal      = {J. Am. Chem. Soc.},
	volume       = 114,
	number       = 21,
	pages        = {8191--8201},
	doi          = {10.1021/ja00047a032},
  url          = {https://pubs.acs.org/doi/10.1021/ja00047a032},
}
@article{baker_constrained_1993,
	title        = {Constrained optimization in cartesian coordinates},
	author       = {Baker, Jon and Bergeron, Doreen},
	year         = 1993,
	journal      = {J. Comput. Chem.},
	volume       = 14,
	number       = 11,
	pages        = {1339--1346},
	doi          = {10.1002/jcc.540141111},
  url          = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.540141111},
}
@article{bakken_efficient_2002,
  title        = {The efficient optimization of molecular geometries using redundant internal coordinates},
  author       = {Bakken, Vebjørn and Helgaker, Trygve},
  year         = 2002,
  journal      = {The Journal of Chemical Physics},
  volume       = 117,
  number       = 20,
  pages        = {9160--9174},
  doi          = {10.1063/1.1515483},
  url          = {https://pubs.aip.org/aip/jcp/article-abstract/117/20/9160/464558/The-efficient-optimization-of-molecular-geometries},
}
@article{swart_optimization_2006,
  title        = {Optimization of strong and weak coordinates},
  author       = {Swart, Marcel and Matthias Bickelhaupt, F.},
  year         = 2006,
  journal      = {Int. J. Quantum Chem.},
  volume       = 106,
  number       = 12,
  pages        = {2536--2544},
  doi          = {10.1002/qua.21049},
  url          = {https://onlinelibrary.wiley.com/doi/10.1002/qua.21049},
}
@article{baker_techniques_1993,
  title        = {Techniques for geometry optimization: {A} comparison of cartesian and natural internal coordinates},
  author       = {Baker, Jon},
  year         = 1993,
  journal      = {J. Comput. Chem.},
  volume       = 14,
  number       = 9,
  pages        = {1085--1100},
  doi          = {10.1002/jcc.540140910},
  url          = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.540140910},
}
@article{lindh_use_1995,
  title        = {On the use of a {Hessian} model function in molecular geometry optimizations},
  author       = {Lindh, Roland and Bernhardsson, Anders and Karlström, Gunnar and Malmqvist, Per-Åke},
  year         = 1995,
  journal      = {Chemical Physics Letters},
  volume       = 241,
  number       = 4,
  pages        = {423--428},
  doi          = {10.1016/0009-2614(95)00646-L},
  url          = {https://doi.org/10.1016/0009-2614(95)00646-L},
}
@article{eckert_ab_1997,
  title        = {Ab initio geometry optimization for large molecules},
  author       = {Eckert, Frank and Pulay, Peter and Werner, Hans-Joachim},
  year         = 1997,
  journal      = {Journal of Computational Chemistry},
  volume       = 18,
  number       = 12,
  pages        = {1473--1483},
  doi          = {https://doi.org/10.1002/(SICI)1096-987X(199709)18:12<1473::AID-JCC5>3.0.CO;2-G}, 
  url          = {https://onlinelibrary.wiley.com/doi/abs/10.1002/(SICI)1096-987X(199709)18%3A12%3C1473%3A%3AAID-JCC5%3E3.0.CO%3B2-G},
}
@article{1930Wigner,
     title = {{Ueber de elastischen Eigenschwingungen symmetrischer Systeme}},
     author={Wigner, Eugene Paul},
     journal = {Nachrichten von der Gesellschaft der Wissenschaften zu G\"ottingen, Mathematisch-Physikalische Klasse},
     volume = {1930},
     year = {1930},
     pages = {133-146},
     zbl = {56.0689.01},
     url = {http://dml.mathdoc.fr/item/GDZPPN002508079}
}
@Article{1933Tisza,
    author={Tisza, L.},
    title={{Zur Deutung der Spektren mehratomiger Molek{\"u}le}},
    journal={Zeitschrift f{\"u}r Physik},
    year={1933},
    month={Jan},
    day={01},
    volume={82},
    number={1},
    pages={48-72},
    abstract={Es werden die Symmetrieeigenschaften der Ober- und Kombinationsschwingungen mehratomiger Molek{\"u}le mit Hilfe der Gruppentheorie untersucht und das theoretische Termschema des Schwingungsspektrums f{\"u}r alle m{\"o}glichen Symmetrien, d. h. f{\"u}r s{\"a}mtliche Untergruppen der dreidimensionalen Drehspiegelgruppe angegeben. Es wird dabei auch die Rotationstruktur ber{\"u}cksichtigt und die Auswahlregeln sowohl f{\"u}r das ultrarote wie f{\"u}r das Ramanspektrum mitgeteilt.},
    issn={0044-3328},
    doi={10.1007/BF01342114},
    url={https://doi.org/10.1007/BF01342114}
}
@article{1933Mulliken,
  title = {{Electronic Structures of Polyatomic Molecules and Valence. IV. Electronic States, Quantum Theory of the Double Bond}},
  author = {Mulliken, Robert S.},
  journal = {Phys. Rev.},
  volume = {43},
  issue = {4},
  pages = {279--302},
  numpages = {0},
  year = {1933},
  month = {Feb},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRev.43.279},
  url = {https://link.aps.org/doi/10.1103/PhysRev.43.279}
}
@article{1934Wilson,
  title = {{The Normal Modes and Frequencies of Vibration of the Regular Plane Hexagon Model of the Benzene Molecule}},
  author = {Wilson, E. Bright},
  journal = {Phys. Rev.},
  volume = {45},
  issue = {10},
  pages = {706--714},
  numpages = {0},
  year = {1934},
  month = {May},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRev.45.706},
  url = {https://link.aps.org/doi/10.1103/PhysRev.45.706}
}
@article{1936Rosenthal,
  title = {{Group Theory and the Vibrations of Polyatomic Molecules}},
  author = {Rosenthal, Jenny E. and Murphy, G. M.},
  journal = {Rev. Mod. Phys.},
  volume = {8},
  issue = {4},
  pages = {317--346},
  numpages = {0},
  year = {1936},
  month = {Oct},
  publisher = {American Physical Society},
  doi = {10.1103/RevModPhys.8.317},
  url = {https://link.aps.org/doi/10.1103/RevModPhys.8.317}
}
@book{1965Schonland,
  title={{Molecular Symmetry: An Introduction to Group Theory and Its Uses in Chemistry}},
  author={Schonland, D.S.},
  isbn={9780442074234},
  lccn={65020161},
  series={Raymond F. Boyer Library Collection},
  url={https://books.google.co.uk/books?id=oj5RAAAAMAAJ},
  year={1965},
  publisher={Van Nostrand}
}
@book{1972Salthouse,
  title={{Point Group Character Tables and Related Data}},
  author={Salthouse, J.A. and Ware, M.J.},
  isbn={9780521081399},
  lccn={72075774},
  url={https://books.google.co.uk/books?id=GAw4AAAAIAAJ},
  year={1972},
  publisher={Cambridge University Press}
}
@book{1977Burns,
  title={{Introduction to Group Theory with Applications}},
  author={Burns, G.},
  isbn={9780121457501},
  lccn={lc75019620},
  series={Materials science and technology},
  url={https://books.google.co.uk/books?id=26XvAAAAMAAJ},
  year={1977},
  publisher={Academic Press}
}

@article{2015vanSetten,
    author = {van Setten, Michiel J. and Caruso, Fabio and Sharifzadeh, Sahar and Ren, Xinguo and Scheffler, Matthias and Liu, Fang and Lischner, Johannes and Lin, Lin and Deslippe, Jack R. and Louie, Steven G. and Yang, Chao and Weigend, Florian and Neaton, Jeffrey B. and Evers, Ferdinand and Rinke, Patrick},
    title = {GW100: Benchmarking G0W0 for Molecular Systems},
    journal = {Journal of Chemical Theory and Computation},
    volume = {11},
    number = {12},
    pages = {5665-5687},
    year = {2015},
    doi = {10.1021/acs.jctc.5b00453},
    note ={PMID: 26642984},
    url = {https://doi.org/10.1021/acs.jctc.5b00453},
    xxxeprint = {https://doi.org/10.1021/acs.jctc.5b00453},
    abstract = { We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW methodologies. The quasi-particle energies of the highest-occupied molecular orbitals (HOMO) and lowest-unoccupied molecular orbitals (LUMO) are calculated for the GW100 set at the G0W0@PBE level using the software packages TURBOMOLE, FHI-aims, and BerkeleyGW. The use of these three codes allows for a quantitative comparison of the type of basis set (plane wave or local orbital) and handling of unoccupied states, the treatment of core and valence electrons (all electron or pseudopotentials), the treatment of the frequency dependence of the self-energy (full frequency or more approximate plasmon-pole models), and the algorithm for solving the quasi-particle equation. Primary results include reference values for future benchmarks, best practices for convergence within a particular approach, and average error bars for the most common approximations. }
}

@Article{Stuke2020,
author={Stuke, Annika
and Kunkel, Christian
and Golze, Dorothea
and Todorovi{'{c}}, Milica
and Margraf, Johannes T.
and Reuter, Karsten
and Rinke, Patrick
and Oberhofer, Harald},
title={Atomic structures and orbital energies of 61,489 crystal-forming organic molecules},
journal={Scientific Data},
year={2020},
month={Feb},
day={18},
volume={7},
number={1},
pages={58},
abstract={Data science and machine learning in materials science require large datasets of technologically relevant molecules or materials. Currently, publicly available molecular datasets with realistic molecular geometries and spectral properties are rare. We here supply a diverse benchmark spectroscopy dataset of 61,489 molecules extracted from organic crystals in the Cambridge Structural Database (CSD), denoted OE62. Molecular equilibrium geometries are reported at the Perdew-Burke-Ernzerhof (PBE) level of density functional theory (DFT) including van der Waals corrections for all 62 k molecules. For these geometries, OE62 supplies total energies and orbital eigenvalues at the PBE and the PBE hybrid (PBE0) functional level of DFT for all 62 k molecules in vacuum as well as at the PBE0 level for a subset of 30,876 molecules in (implicit) water. For 5,239 molecules in vacuum, the dataset provides quasiparticle energies computed with many-body perturbation theory in the G0W0 approximation with a PBE0 starting point (denoted GW5000 in analogy to the GW100 benchmark set (M. van Setten et al. J. Chem. Theory Comput. 12, 5076 (2016))).},
issn={2052-4463},
doi={10.1038/s41597-020-0385-y},
url={https://doi.org/10.1038/s41597-020-0385-y%7D}
}

@article{2007Shirts,
  author = {Shirts, Randall B.},
  title = {Correcting Two Long-Standing Errors in Point Group Symmetry Character Tables},
  journal = {Journal of Chemical Education},
  volume = {84},
  number = {11},
  pages = {1882},
  year = {2007},
  doi = {10.1021/ed084p1882},
  url = {https://doi.org/10.1021/ed084p1882},
  xxxeprint = {https://doi.org/10.1021/ed084p1882}
}

@article{1991Bogey,
  title = {Nonclassical double-bridged structure in silicon-containing molecules: Experimental evidence in ${\mathrm{Si}}_{2}$${\mathrm{H}}_{2}$ from its submillimeter-wave spectrum},
  author = {Bogey, M. and Bolvin, H. and Demuynck, C. and Destombes, J. L.},
  journal = {Phys. Rev. Lett.},
  volume = {66},
  issue = {4},
  pages = {413--416},
  numpages = {0},
  year = {1991},
  month = {Jan},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.66.413},
  url = {https://link.aps.org/doi/10.1103/PhysRevLett.66.413}
}

@article{1994Bogey,
  author = {Bogey, M. and Bolvin, H. and Cordonnier, M. and Demuynck, C. and Destombes, J. L. and Császár, A. G.},
  title = "{Millimeter‐ and submillimeter‐wave spectroscopy of dibridged Si2H2 isotopomers: Experimental and theoretical structure}",
  journal = {The Journal of Chemical Physics},
  volume = {100},
  number = {12},
  pages = {8614-8624},
  year = {1994},
  month = {06},
  abstract = "{Various isotopomers of the free dibridged disilyne molecule, Si(H2)Si, have been observed by millimeter‐ and submillimeter‐wave spectroscopy in a silane–argon plasma produced by an abnormal electric discharge. In order to make measurement of the weak absorption lines possible a novel computer processing treatment has been developed. From the molecular constants measured for 28Si(H2)28Si, 29Si(H2)28Si, 30Si(H2)28Si, and 28Si(D2)28Si an accurate substitution structure has been deduced with rs(Si–Si)=2.2154 Å, rs(Si–H)=1.6680 Å, and ∠(HSiSiH)=104.22°. The spectrum analysis and the structure determination have been aided by correlated level ab initio calculations resulting in accurate estimates of the equilibrium geometry and rotational constants, the cubic force field, the quartic and sextic centrifugal distortion constants, and the inversion barrier height of dibridged disilyne. The barrier to inversion of the ‘‘butterfly‐type’’ Si(H2)Si molecule must be relatively high as no splitting due to inversion could be experimentally observed.}",
  issn = {0021-9606},
  doi = {10.1063/1.466715},
  url = {https://doi.org/10.1063/1.466715},
  xxxeprint = {https://pubs.aip.org/aip/jcp/article-pdf/100/12/8614/10771919/8614\_1\_online.pdf},
}

@misc{CCCBDB,
  author       = {Johnson, Russell D.},
  title        = {{NIST Computational Chemistry Comparison and Benchmark Database}},
  month        = {May},
  year         = {2022},
  note       =  {{NIST Standard Reference Database Number 101}},
  url          = {http://cccbdb.nist.gov/},
  release      = {22}
}

@Misc{DattaniCunningham,
  howpublished = {{Private conversation between Nike Dattani and Gabe Cunningham}},
  year         = {2023},
}

@book{2018Johnson,
    author = {Johnson, Norman (Norman W.)},
    address = {Cambridge},
    booktitle = {Geometries and transformations},
    isbn = {9781107103405},
    keywords = {Geometry},
    language = {eng},
    publisher = {Cambridge University Press},
    title = {Geometries and transformations },
    year = {2018},
    url = {https://www.cambridge.org/gb/universitypress/subjects/mathematics/geometry-and-topology/geometries-and-transformations?format=HB&isbn=9781107103405},
}

@book{1994Vainshtein,
  author = {Vainshtein, Boris K. and Vaĭnshteĭn, B. K. (Boris Konstantinovich)},
  abstract = {Wie gehabt in Second, Enlarged Edition (SPIN 10056998).},
  address = {Berlin, Heidelberg},
  booktitle = {{Fundamentals of Crystals Symmetry, and Methods of Structural Crystallography}},
  edition = {2nd ed. 1994.},
  isbn = {3-662-02975-8},
  keywords = {Crystallography},
  language = {eng},
  publisher = {Springer Berlin Heidelberg},
  title = {Fundamentals of Crystals Symmetry, and Methods of Structural Crystallography },
  year = {1994},
  url = {https://link.springer.com/book/10.1007/978-3-662-02975-6},
}

@book{2008Conway,
  author = {Conway, John H. (John Horton) and Burgiel, Heidi and Goodman-Strauss, Chaim},
  address = {Wellesley, Mass},
  booktitle = {The symmetries of things},
  isbn = {9781568812205},
  keywords = {Symmetry (Mathematics)},
  language = {eng},
  lccn = {2007046446},
  publisher = {A.K. Peters},
  title = {The symmetries of things},
  year = {2008},
  url = {https://openlibrary.org/works/OL18729573W/The_symmetries_of_things?edition=key%3A/books/OL12190672M},
}

@book{1993Sands,
    author = {Sands, Donald},
    address = {New York},
    booktitle = {Introduction to crystallography},
    isbn = {0486678393},
    keywords = {Crystallography},
    language = {eng},
    lccn = {LC 93-35539},
    publisher = {Dover},
    title = {Introduction to crystallography },
    year = {1993},
    url = {https://store.doverpublications.com/0486678393.html},
}

@book{2003Conway,
    author = {Conway, John H. (John Horton) and Smith, Derek Alan},
    address = {Natick, Mass},
    booktitle = {On quaternions and octonions : their geometry, arithmetic, and symmetry},
    isbn = {1568811349},
    keywords = {Algebra, Universal},
    language = {eng},
    lccn = {2002035555},
    publisher = {A.K. Peters},
    title = {{On quaternions and octonions : their geometry, arithmetic, and symmetry}},
    year = {2003},
    url = {https://books.google.com.hk/books?id=XHKhDwAAQBAJ&source=gbs_book_other_versions},
}

@book{1995Coxeter,
    author = {Coxeter, H. S. M. (Harold Scott Macdonald) and Sherk, F. A.},
    address = {New York},
    booktitle = {Kaleidoscopes : selected writings of H.S.M. Coxeter},
    isbn = {0471010030},
    keywords = {Mathematics},
    language = {eng},
    lccn = {LC 94-47368},
    publisher = {John Wiley & Sons},
    series = {Canadian Mathematical Society series of monographs and advanced texts},
    title = {{Kaleidoscopes : selected writings of H.S.M. Coxeter}},
    year = {1995},
    url = {https://www.wiley.com/en-ae/Kaleidoscopes:+Selected+Writings+of+H+S+M+Coxeter-p-9780471010036},
}

@book{2011Radaelli,
    author = {Radaelli, Paolo G.},
    abstract = {A fresh approach to teaching crystallographic symmetry. Rather than being swamped by heavy algebraic notation, the reader is taken through a series of simple and beautiful examples from the visual arts, and taught how to analyse them employing the 'pictorial' diagrams used in the international tables of crystallography.},
    address = {Oxford},
    booktitle = {Symmetry in crystallography understanding the international tables},
    isbn = {9780191775093},
    keywords = {Crystallography},
    language = {eng},
    publisher = {Oxford University Press},
    series = {IUCr texts on crystallography ; 17},
    title = {{Symmetry in crystallography understanding the international tables}},
    year = {2011},
    url = {https://global.oup.com/academic/product/symmetry-in-crystallography-9780199550654?q=Symmetry%20in%20crystallography%20understanding%20the%20international%20tables&lang=en&cc=au},
}

@book{1997Cromwell,
  author = {Cromwell, Peter R.},
  address = {Cambridge},
  booktitle = {Polyhedra},
  isbn = {0521554322},
  keywords = {Polyhedra},
  language = {eng},
  lccn = {96009420},
  publisher = {Cambridge University Press},
  title = {Polyhedra},
  year = {1997},
  url = {https://www.cambridge.org/us/universitypress/subjects/mathematics/geometry-and-topology/polyhedra?format=PB&isbn=9780521664059},
}

@article{1894Curie,
	author = {{Curie, P.}},
	title = {{Sur la sym\'etrie dans les ph\'enom\`enes physiques, sym\'etrie d'un champ \'electrique et d'un champ magn\'etique}},
	DOI= "10.1051/jphystap:018940030039300",
	url= "https://doi.org/10.1051/jphystap:018940030039300",
	journal = {J. Phys. Theor. Appl.},
	year = 1894,
	volume = 3,
	number = 1,
	pages = "393-415",
}

@book{1972Coxeter,
  author={Coxeter, H.S.M. and Moser, W.O.J.},
  title={{Generators and Relations for Discrete Groups}},
  year=1972,
  publisher="Springer Berlin Heidelberg",
  address="Berlin, Heidelberg",
  url="https://link.springer.com/book/10.1007/978-3-662-21946-1",
}

@book{1948Coxeter,
  title={{Regular Polytopes}},
  author={Coxeter, H.S.M.},
  lccn={49002778},
  url={https://books.google.co.uk/books?id=700GAQAAIAAJ},
  year={1948},
  publisher={Methuen}
}

@book{1998Coxeter,
  title={{Non-Euclidean Geometry}},
  author={Coxeter, H.S.M.},
  isbn={9780883855225},
  lccn={98085640},
  series={MAA spectrum},
  url={https://books.google.co.uk/books?id=usKZpDAH0WUC},
  year={1998},
  publisher={Mathematical Association of America}
}

@book{1987Coxeter,
  title={{Projective Geometry}},
  author={Coxeter, H.S.M.},
  url={https://link.springer.com/book/9780387406237},
  year={1987},
  publisher={Springer New York, NY},
  edition = {2nd ed.},
}

@book{1989Coxeter,
  title={{Introduction to Geometry}},
  author={Coxeter, H.S.M.},
  isbn={9780471504580},
  lccn={72093909},
  series={Wiley Classics Library},
  url={https://www.wiley.com/en-gb/Introduction+to+Geometry%2C+2nd+Edition-p-9780471504580},
  year={1989},
  publisher={Wiley}
}

@book{1993Coxeter,
  author={Coxeter, H.S.M. and Beck, George},
  title={{The Real Projective Plane}},
  year="1993",
  publisher="Springer New York",
  address="New York, NY",
  isbn="978-1-4612-2734-2",
  url={https://link.springer.com/book/10.1007/978-1-4612-2734-2},
}

@book{1999Coxeter,
  title={{The Beauty of Geometry: Twelve Essays}},
  author={Coxeter, H.S.M.},
  isbn={9780486409191},
  lccn={99035678},
  series={Dover books on mathematics},
  url={https://books.google.co.uk/books?id=p4o-Uf-i-IUC},
  year={1999},
  publisher={Dover Publications}
}

@book{1998Bunker,
  title={{Molecular Symmetry and Spectroscopy}},
  author={Bunker, P.R. and Jensen, P. and National Research Council Canada},
  url={https://cdnsciencepub.com/doi/book/10.1139/9780660196282},
  year={2006},
  edition = {2nd ed.},
  publisher={NRC Research Press},
}

@misc{2002Dresselhaus,
  author        = {Dresselhaus, M.S.},
  title         = {{Applications of Group Theory to the Physics of Solids}},
  year          = {2002},
  url           = {http://web.mit.edu/course/6/6.734j/www/group-full02.pdf},
  publisher     = {MIT},
}

@article{2007Hestenes,
  author = {Hestenes, David and Holt, Jeremy W.},
  title = {{Crystallographic space groups in geometric algebra}},
  journal = {Journal of Mathematical Physics},
  volume = {48},
  number = {2},
  pages = {023514},
  year = {2007},
  month = {02},
  abstract = "{We present a complete formulation of the two-dimensional and three-dimensional crystallographic space groups in the conformal geometric algebra of Euclidean space. This enables a simple new representation of translational and orthogonal symmetries in a multiplicative group of versors. The generators of each group are constructed directly from a basis of lattice vectors that define its crystal class. A new system of space group symbols enables one to unambiguously write down all generators of a given space group directly from its symbol.}",
  issn = {0022-2488},
  doi = {10.1063/1.2426416},
  url = {https://doi.org/10.1063/1.2426416},
  eprint = {https://pubs.aip.org/aip/jmp/article-pdf/doi/10.1063/1.2426416/15969892/023514\_1\_online.pdf},
}

@incollection{1988Shubnikov,
  title = {{ON THE WORKS OF PIERRE CURIE ON SYMMETRY††Originally appeared in Russian in Uspekhi fizicheskikh nauk 59, 591-602 (1956). Translated by L. I. Man.}},
  editor = {I. HARGITTAI and B.K. VAINSHTEIN},
  booktitle = {Crystal Symmetries},
  publisher = {Pergamon},
  address = {Amsterdam},
  pages = {357-364},
  year = {1988},
  series = {International Series in Modern Applied Mathematics and Computer Science},
  issn = {07331932},
  doi = {https://doi.org/10.1016/B978-0-08-037014-9.50007-8},
  url = {https://www.sciencedirect.com/science/article/pii/B9780080370149500078},
  author = {Shubnikov, A.V.},
  abstract = {Publisher Summary
  This chapter describes the work of Pierre Curie on symmetry. Pierre Curie is well known to the wide scientific community as an author of outstanding works on radioactivity but almost unknown as an author of deep investigations on symmetry and its applications in physics. Pierre Curie was the first to single out the symmetry groups, which is currently called the limiting point groups especially important in physics. Altogether, there are seven such groups. They can readily be remembered if one wishes to consider the simplest figures possessing such symmetry. Using the limiting symmetry groups, Pierre Curie has established for the first time one of the most important features, distinguishing an electric field from a magnetic one, and thus managed to explain why, contrary to the case of positive and negative charges, north magnetism cannot be distinguished from south magnetism. Physicists before Pierre Curie were interested mainly in the similarity rather than in differences between the magnetic and electric fields. This standpoint was supported even by mathematicians. Pierre Curie was really ahead of his contemporaries when he discovered an essential difference between the symmetries of magnetic and electric fields overlooked by the others.}
}

@book{1974Coxeter,
  title={{Regular Complex Polytopes}},
  author={Coxeter, H.S.M.},
  url={https://books.google.co.uk/books?id=FDjfSAAACAAJ},
  year={1974},
  publisher={Cambridge University}
}

@Article{2002Conway,
  author={Conway, John H. and Huson, Daniel H.},
  title={{The Orbifold Notation for Two-Dimensional Groups}},
  journal={Structural Chemistry},
  year={2002},
  month={Aug},
  day={01},
  volume={13},
  number={3},
  pages={247-257},
  abstract={This paper gives a detailed introduction to the orbifold notation for two-dimensional (2-D) symmetry groups. It discusses the correspondence between properties of orbifolds and symmetries in the original surface. The problem of determining a group in situ is addressed. Elementary proofs of the classification of the Euclidean and spherical 2-D symmetry groups are presented.},
  issn={1572-9001},
  doi={10.1023/A:1015851621002},
  url={https://doi.org/10.1023/A:1015851621002}
}

@Article{2007Fisher,
  author={Fisher, G. L. and Mellor, B.},
  title={{Three-dimensional finite point groups and the symmetry of beaded beads}},
  journal={Journal of Mathematics and the Arts},
  year={2007},
  volume={1},
  issue={2},
  pages={85-96},
  url={https://doi.org/10.1080/17513470701416264}
}

@book{1952Weyl,
  title={Symmetry},
  author={Weyl, H.},
  isbn={9780691023748},
  lccn={lc52005830},
  series={Princeton Science Library},
  url={https://books.google.co.uk/books?id=T43Cmu_EaZAC},
  year={1952},
  publisher={Princeton University Press}
}

@book{1974Shubnikov,
  title={{Symmetry in Science and Art}},
  author={Shubnikov, A. and Koptsik, V.A.},
  isbn={9780306307591},
  lccn={73081093},
  url={https://books.google.co.uk/books?id=fNhfAAAAMAAJ},
  year={1974},
  publisher={Plenum Press}
}