Direct methods for non-adiabatic dynamics: connecting the single-set variational multi-configuration Gaussian (vMCG) and Ehrenfest perspectives
Crossref DOI link: https://doi.org/10.1007/s00214-016-1937-2
Published Online: 2016-07-12
Published Print: 2016-08
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Vacher, Morgane
Bearpark, Michael J.
Robb, Michael A. http://orcid.org/0000-0003-0478-8301
Funding for this research was provided by:
Engineering and Physical Sciences Research Council (GB)UK (EP/I032517/1)
License valid from 2016-07-12