A hybrid memory kernel approach for condensed phase non-adiabatic dynamics-Reference-Cited by-同舟云学术

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A hybrid memory kernel approach for condensed phase non-adiabatic dynamics

Published:2017-07-07 Issue:1 Volume:147 Page:014108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hait Diptarka¹²^ORCID,Mavros Michael G.¹,Van Voorhis Troy¹

Affiliation:

1. Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA

2. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA

Funder

Division of Chemistry (CHE)

Massachusetts Institute of Technology (MIT)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4990739

Reference59 articles.

1. On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I

2. On the Theory of Electron‐Transfer Reactions. VI. Unified Treatment for Homogeneous and Electrode Reactions

3. Electron Transfer Reactions in Chemistry: Theory and Experiment (Nobel Lecture)

4. Contemporary Issues in Electron Transfer Research

5. Molecular dynamics with electronic transitions

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2. On simulating the dynamics of electronic populations and coherences via quantum master equations based on treating off-diagonal electronic coupling terms as a small perturbation;The Journal of Chemical Physics;2021-11-28

3. Quantum kinetic expansion in the spin-boson model: Implemented by the quantum-classical Liouville equation in an anharmonic bath;The Journal of Chemical Physics;2018-06-21

4. Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model;The Journal of Chemical Physics;2018-04-28

5. Quantum kinetic expansion in the spin-boson model: Matrix formulation and system-bath factorized initial state;The Journal of Chemical Physics;2017-12-28

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