Advances in methods and algorithms in a modern quantum chemistry program package
作者： Yihan Shao , Laszlo Fusti Molnar , Yousung Jung , Jörg Kussmann , Christian Ochsenfeld
DOI: 10.1039/B517914A
关键词:
摘要: Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by the broader chemical …
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