Accurate Excited-State Geometries: a CASPT2 and Coupled-Cluster Reference Database for Small Molecules
Budzak, Simon, Scalmani, Giovanni, Jacquemin, DenisLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00921
Date:
November, 2017
File:
PDF, 668 KB
english, 2017