Publications
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
- External organisation(s)
- Universität Wien
- 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
- Engineering(all), Physics and Astronomy(all), Mathematics(all)
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/sampling-effects-in-quantum-mechanicalmolecular-mechanics-trajectory-surface-hopping-nonadiabatic-dynamics(0cb396e9-a4c8-4f82-9bfd-cc717f41ae42).html