Sampling effects in quantum mechanical/molecular mechanics trajectory surface hopping non-adiabatic dynamics

Author(s)

Davide Avagliano, Emilio Lorini, Leticia Gonzalez

Organisation(s)

Department of Theoretical Chemistry, Research Platform Accelerating Photoreaction Discovery

Journal

Philosophical Transactions of the Royal Society of London. Mathematical, Physical and Engineering Sciences

Volume

380

No. of pages

12

ISSN

1364-503X

DOI

https://doi.org/10.1098/rsta.2020.0381

Publication date

05-2022

Peer reviewed

Yes

Austrian Fields of Science 2012

103036 Theoretical physics, 104022 Theoretical chemistry

Keywords

ASJC Scopus subject areas

General Engineering, General Physics and Astronomy, General Mathematics

Portal url

https://ucrisportal.univie.ac.at/en/publications/0cb396e9-a4c8-4f82-9bfd-cc717f41ae42