Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: Application to H2D+
Petit, Andrew S., Wellen, Bethany A., McCoy, Anne B.Volume:
138
Year:
2013
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4774318
File:
PDF, 809 KB
english, 2013