Eliminating spin contamination in auxiliary-field quantum Monte Carlo: Realistic potential energy curve of F[sub 2]
Purwanto, Wirawan, Al-Saidi, W. A., Krakauer, Henry, Zhang, ShiweiVolume:
128
Year:
2008
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.2838983
File:
PDF, 625 KB
english, 2008