Spin contamination-free N -electron wave functions in the excitation-based configuration interaction treatment
Alcoba, Diego R., Torre, Alicia, Lain, Luis, Massaccesi, Gustavo E., Oña, Ofelia B., Capuzzi, PabloVolume:
145
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4955159
Date:
July, 2016
File:
PDF, 372 KB
english, 2016