Analytical nuclear excited-state gradients for the...

Analytical nuclear excited-state gradients for the second-order approximate coupled-cluster singles and doubles (CC2) method employing uncoupled frozen-density embedding

Heuser, Johannes, Hoefener, Sebastian
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00369
Date:
August, 2018
File:
PDF, 1.43 MB
english, 2018
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