An algorithm for non-Born-Oppenheimer quantum mechanical...

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, Ludwik
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Volume:
139
Year:
2013
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4826450
File:
PDF, 601 KB
english, 2013
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