Propagators for Quantum-Classical Models: Commutator-Free Magnus Methods-Reference-Cited by-同舟云学术

Propagators for Quantum-Classical Models: Commutator-Free Magnus Methods

Published:2020-01-30 Issue:3 Volume:16 Page:1420-1430
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gómez Pueyo Adrián¹^ORCID,Blanes Sergio²,Castro Alberto¹³^ORCID

Affiliation:

1. Institute for Biocomputation and Physics of Complex Systems, University of Zaragoza, Calle Mariano Esquillor, 50018 Zaragoza, Spain

2. Instituto Universitario de Matemática Multidisciplinar, Universitat Politècnica de València, E-46022 València, Spain

3. ARAID Foundation, Avenida de Ranillas 1-D, 50018 Zaragoza, Spain

Funder

Engineering and Physical Sciences Research Council

Ministerio de Ciencia, Innovaci?n y Universidades

Secretar?a de Estado de Investigaci?n, Desarrollo e Innovaci?n

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01031

Reference75 articles.

1. The Art of Molecular Dynamics Simulation (Rapaport, D. C.)

2. Fermi, E.; Pasta, J.; Ulam, S. Studies of Nonlinear Problems I, Los Alamos Report LA 1940; Los Alamos Scientific Laboratory, 1955; reproduced in Nonlinear Wave Motion. Providence, RI, 1974.

3. Studies in Molecular Dynamics. I. General Method

4. Quantum‐classical molecular dynamics as an approximation to full quantum dynamics

5. FIRST PRINCIPLES MOLECULAR DYNAMICS INVOLVING EXCITED STATES AND NONADIABATIC TRANSITIONS

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