Accurate nonadiabatic dynamics
Abstract
This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs) together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces to obtain accurate solutions to problems in nonadiabatic dynamics.
- Authors:
-
- Department of Chemistry and Chemical Biology; University of New Mexico; Albuquerque; USA
- Department of Chemistry; Johns Hopkins University; Baltimore; USA
- Publication Date:
- Research Org.:
- Univ. of New Mexico, Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1535119
- DOE Contract Number:
- FG02-05ER15694; SC0015997
- Resource Type:
- Journal Article
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP (Print)
- Additional Journal Information:
- Journal Volume: 18; Journal Issue: 38; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- Chemistry; Physics
Citation Formats
Guo, Hua, and Yarkony, David R. Accurate nonadiabatic dynamics. United States: N. p., 2016.
Web. doi:10.1039/c6cp05553b.
Guo, Hua, & Yarkony, David R. Accurate nonadiabatic dynamics. United States. https://doi.org/10.1039/c6cp05553b
Guo, Hua, and Yarkony, David R. 2016.
"Accurate nonadiabatic dynamics". United States. https://doi.org/10.1039/c6cp05553b.
@article{osti_1535119,
title = {Accurate nonadiabatic dynamics},
author = {Guo, Hua and Yarkony, David R.},
abstractNote = {This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs) together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces to obtain accurate solutions to problems in nonadiabatic dynamics.},
doi = {10.1039/c6cp05553b},
url = {https://www.osti.gov/biblio/1535119},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 38,
volume = 18,
place = {United States},
year = {Fri Jan 01 00:00:00 EST 2016},
month = {Fri Jan 01 00:00:00 EST 2016}
}
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