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Molecular Physics 2016 / 12

Influence of the choice of projection manifolds in the CASPT2 implementation

Yanai, Takeshi, Kurashige, Yuki, Saitow, Masaaki, Chalupský, Jakub, Lindh, Roland, Malmqvist, Per-Åke
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Language:
english
Journal:
Molecular Physics
DOI:
10.1080/00268976.2016.1271152
Date:
December, 2016
File:
PDF, 719 KB
english, 2016
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