Sign Up to like & get
recommendations!
0
Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.04.083
Abstract: Abstract We propose a scheme to reduce the virtual space in the second-order approximate coupled-cluster singles-and-doubles (CC2) method, allowing for an accurate description of both ground-state correlation and excitation energies. A set of natural virtual…
read more here.
Keywords:
natural transition;
correlation excitation;
excitation;
excitation energies ... See more keywords