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Linearized Path Integral Methods for Quantum Time Correlation Functions

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Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1

Part of the book series: Lecture Notes in Physics ((LNP,volume 703))

Abstract

We review recently developed approximate methods for computing quantum time correlation functions based on linearizing the phase of their path integral expressions in the difference between paths representing the forward and backward propagators. Our focus here will be on problems that can be partitioned into two subsystems: One that is best described by a few discrete quantum states such as the high frequency vibrations or electronic states of molecules, and the other subsystem, “the bath”, composed of the remaining degrees of freedom that will be described by a continuous representation. The general theory will first be developed and applied to model condensed phase problems. Approximations to the theory will be then made enabling applications to large scale realistic systems.

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Authors and Affiliations

  1. Department of Chemistry, Boston University, 590 Commonwealth Avenue, 02215, Boston, MA, USA

    D.F. Coker

  2. NEST Scuola Normale Superiore, Piazza dei Cavalieri 7, It-56126, Pisa

    S. Bonella

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  1. D.F. Coker
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  2. S. Bonella
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Editors and Affiliations

  1. Dipartimento di Fisica, Università di Modena e Reggio Emilia, Via Campi, 213/A, 41100, Modena, Italy

    Mauro Ferrario Professor

  2. Dipartimento di Fisica, INFN, Università di Roma La Sapienza, Piazzale Aldo Moro 2, 00185, Roma, Italy

    Giovanni Ciccotti Professor

  3. Institut für Physik, Universität Mainz, Staudinger Weg 7, 55128, Mainz, Germany

    Kurt Binder Professor

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Coker, D., Bonella, S. (2006). Linearized Path Integral Methods for Quantum Time Correlation Functions. In: Ferrario, M., Ciccotti, G., Binder, K. (eds) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1. Lecture Notes in Physics, vol 703. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35273-2_16

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