An algorithm for non-Born-Oppenheimer quantum mechanical variational calculations of N = 1 rotationally excited states of diatomic molecules using all-particle explicitly correlated Gaussian functions
Sharkey, Keeper L., Kirnosov, N., Adamowicz, LudwikVolume:
139
Year:
2013
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4826450
File:
PDF, 601 KB
english, 2013