Imaginary shift in CASPT2 nuclear gradient and derivative...

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Journal of Chemical Theory and Computation 2019 / 06

Imaginary shift in CASPT2 nuclear gradient and derivative coupling theory

Park, Jae Woo, Al-Saadon, Rachael, Strand, Nils E., Shiozaki, Toru
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00368
Date:
June, 2019
File:
PDF, 4.43 MB
english, 2019
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