Literature DB >> 22128918

Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution.

Pengfei Huo1, David F Coker.   

Abstract

An approach for treating dissipative, non-adiabatic quantum dynamics in general model systems at finite temperature based on linearizing the density matrix evolution in the forward-backward path difference for the environment degrees of freedom is presented. We demonstrate that the approach can capture both short time coherent quantum dynamics and long time thermal equilibration in an application to excitation energy transfer in a model photosynthetic light harvesting complex. Results are also presented for some nonadiabatic scattering models which indicate that, even though the method is based on a "mean trajectory" like scheme, it can accurately capture electronic population branching through multiple avoided crossing regions and that the approach offers a robust and reliable way to treat quantum dynamical phenomena in a wide range of condensed phase applications.

Year:  2011        PMID: 22128918     DOI: 10.1063/1.3664763

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  6 in total

Review 1.  Photosynthetic pigment-protein complexes as highly connected networks: implications for robust energy transport.

Authors:  Lewis A Baker; Scott Habershon
Journal:  Proc Math Phys Eng Sci       Date:  2017-05-31       Impact factor: 2.704

2.  Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems.

Authors:  Andrea Amadei; Massimiliano Aschi
Journal:  RSC Adv       Date:  2018-08-06       Impact factor: 4.036

3.  On the exact continuous mapping of fermions.

Authors:  Andrés Montoya-Castillo; Thomas E Markland
Journal:  Sci Rep       Date:  2018-08-28       Impact factor: 4.379

4.  Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems.

Authors:  Francesco Segatta; Lorenzo Cupellini; Marco Garavelli; Benedetta Mennucci
Journal:  Chem Rev       Date:  2019-07-05       Impact factor: 60.622

5.  Explaining the Efficiency of Photosynthesis: Quantum Uncertainty or Classical Vibrations?

Authors:  Johan E Runeson; Joseph E Lawrence; Jonathan R Mannouch; Jeremy O Richardson
Journal:  J Phys Chem Lett       Date:  2022-04-11       Impact factor: 6.888

6.  How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach.

Authors:  Alekos Segalina; Daniel Aranda; James A Green; Vito Cristino; Stefano Caramori; Giacomo Prampolini; Mariachiara Pastore; Fabrizio Santoro
Journal:  J Chem Theory Comput       Date:  2022-04-04       Impact factor: 6.578

  6 in total

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