Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method
Ojanperä, Ari, Havu, Ville, Lehtovaara, Lauri, Puska, MarttiVolume:
136
Year:
2012
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3700800
File:
PDF, 1.06 MB
english, 2012