Ab Initio Molecular Dynamics with Dual Basis Set Methods-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics with Dual Basis Set Methods

Published:2010-10-12 Issue:43 Volume:114 Page:11853-11860
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Steele Ryan P.¹,Head-Gordon Martin¹,Tully John C.¹

Affiliation:

1. Department of Chemistry, Yale University, 225 Prospect St., New Haven, Connecticut 06520, United States, Department of Chemistry, University of California-Berkeley, Berkeley, California 94720, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp107342g

Reference62 articles.

1. Molecular dynamics with electronic transitions

2. Including quantum effects in the dynamics of complex (i.e., large) molecular systems

3. Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics

4. A refined ring polymer molecular dynamics theory of chemical reaction rates

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