Literature DB >> 15012410

Time-dependent quantum methods for large systems.

N Makri1.   

Abstract

This review focuses on time-dependent methods suitable for simulating the quantum dynamics of processes in large clusters and condensed-phase environments. A number of mean field, quantum-classical, and quantum statistical approximations that avoid the conventional exponential scaling with the number of degrees of freedom are reviewed. In addition, rigorous semiclassical and path integral approaches are described that are feasible in certain physical situations. Select chemical applications illustrating the capabilities of these methods are discussed.

Year:  1999        PMID: 15012410     DOI: 10.1146/annurev.physchem.50.1.167

Source DB:  PubMed          Journal:  Annu Rev Phys Chem        ISSN: 0066-426X            Impact factor:   12.703


  6 in total

1.  A coarse-grained normal mode approach for macromolecules: an efficient implementation and application to Ca(2+)-ATPase.

Authors:  Guohui Li; Qiang Cui
Journal:  Biophys J       Date:  2002-11       Impact factor: 4.033

2.  Vibrational energy relaxation in proteins.

Authors:  Hiroshi Fujisaki; John E Straub
Journal:  Proc Natl Acad Sci U S A       Date:  2005-03-14       Impact factor: 11.205

3.  Some quantum weirdness in physiology.

Authors:  Peter G Wolynes
Journal:  Proc Natl Acad Sci U S A       Date:  2009-10-08       Impact factor: 11.205

4.  Coarse-grained representation of the quasi adiabatic propagator path integral for the treatment of non-Markovian long-time bath memory.

Authors:  Martin Richter; Benjamin P Fingerhut
Journal:  J Chem Phys       Date:  2017-06-07       Impact factor: 3.488

5.  Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules.

Authors:  Vyacheslav N Gorshkov; Sergei Tretiak; Dmitry Mozyrsky
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

Review 6.  Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.

Authors:  Sergey V Antipov; Swarnendu Bhattacharyya; Krystel El Hage; Zhen-Hao Xu; Markus Meuwly; Ursula Rothlisberger; Jiří Vaníček
Journal:  Struct Dyn       Date:  2018-01-08       Impact factor: 2.920

  6 in total

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