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Consider implementing MRCC #731

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alongd opened this issue Feb 12, 2024 · 0 comments
Open

Consider implementing MRCC #731

alongd opened this issue Feb 12, 2024 · 0 comments
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@alongd
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alongd commented Feb 12, 2024

We can consider adding an adapter for MRCC (https://www.mrcc.hu/index.php), which is a free ESS for non-commercial usage.
It was used by this study and seems to give accurate energies, I don't know how it performs wrt DFT.
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