Importance of eigenvector sign consistency in computations of expectation values via mixed quantum-classical surface-hopping dynamics
Crossref DOI link: https://doi.org/10.1007/s00214-017-2105-z
Published Online: 2017-05-25
Published Print: 2017-06
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Dell’Angelo, David
Hanna, Gabriel https://orcid.org/0000-0003-0554-8887
Funding for this research was provided by:
Natural Sciences and Engineering Research Council of Canada
License valid from 2017-05-25