Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC( P ; Q ) Formalism, with Benchmark Calculations for Singlet–Triplet Gaps in Biradical Systems
Shen, Jun, Piecuch, PiotrVolume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300762m
Date:
December, 2012
File:
PDF, 556 KB
english, 2012