Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance-Reference-Cited by-同舟云学术

Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance

Published:2015-10-07 Issue:13 Volume:143 Page:134107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Jain Amber¹,Subotnik Joseph E.¹

Affiliation:

1. Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104, USA

Funder

Air Force Office of Scientific Research (AFOSR)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference72 articles.

1. Chemical and Electrochemical Electron-Transfer Theory

2. N. L. Doltsinis, “Nonadiabatic dynamics: Mean-field and surface hopping,” in Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, edited byJ. Grotendorst, D. Marx, and A. Muramatsu (NIC, FZ Julich, 2002), www.fz-juelich.de/nic-series/volume10/doltsinis.pdf.

3. Molecular dynamics with electronic transitions

4. Proton transfer in solution: Molecular dynamics with quantum transitions

5. Surface-hopping modeling of photoinduced relaxation dynamics on coupled potential-energy surfaces

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