Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics-Reference-Cited by-同舟云学术

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

Published:2014-11-10 Issue:18 Volume:141 Page:184101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

White Alexander J.¹²^ORCID,Gorshkov Vyacheslav N.¹³,Wang Ruixi¹⁴,Tretiak Sergei¹²⁵,Mozyrsky Dmitry¹

Affiliation:

1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

2. Center for Nonlinear Studies (CNLS), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

3. National Technical University of Ukraine, Kiev 03056, Ukraine

4. Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, USA

5. Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

Funder

Center for Integrated Nanotechnology

U.S. Department of Energy (DOE)

Laboratory Directed Research and Development (LDRD)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4900988

Reference83 articles.

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3. “Ab initio molecular dynamics,” in Computational Methods in Catalysis and Materials Science (Wiley-VCH, 2009), pp. 93–120.

4. C. Ullrich, Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford University Press, 2012).

5. A. Nitzan, Chemical Dynamics in Condensed Phases: Relaxation, Transfer and Reactions in Condensed Molecular Systems (Oxford University Press, 2006).

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