Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods
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Title
Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 18, Issue 7, Pages 4269-4281
Publisher
American Chemical Society (ACS)
Online
2022-06-14
DOI
10.1021/acs.jctc.2c00301
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