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Modified zusman equation for quantum solvation dynamics and rate processes

  • Hou Dao Zhang
  • , Jian Xu
  • , Rui Xue Xu
  • , Yijing Yan

Research output: Chapter in Book/Conference Proceeding/ReportBook Chapterpeer-review

Abstract

This chapter presents a comprehensive account of the Zusman equation and its recent development. It covers in detail, both the physical picture and mathematical derivation, how the Zusman equation is related to Caldeira-Leggett’s master equation and to hierarchical master equation, and from the latter, how it is optimally modified, at no extra numerical cost. The modified Zusman equation is an accuracy controllable theory and has a significantly increased range of applicability. Analytical resolution to the modified equation for two-state reaction systems is also presented.
Original languageEnglish
Title of host publicationReaction Rate Constant Computations
EditorsKeli Han, Tianshu Chu
Pages319-336
Number of pages18
DOIs
Publication statusPublished - 2014

Publication series

NameRSC Theoretical and Computational Chemistry Series
ISSN (Print)2041-3181
ISSN (Electronic)2041-319X

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