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