Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallma...
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| Format: | Article |
| Language: | English |
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AIP Publishing
2022
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| Online Access: | https://hdl.handle.net/1721.1/141338 |