Time correlation functions for mixed quantum-classical systems

Journal of Chemical Physics

Volumn 108, Issue 14, 1998, Pages 5683-5694

  McWhirter, J Liam ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0007710242     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475978     Document Type: Article

References (40)

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38. In Ref. 15 we derived a mixed quantum-semiclassical time correlatio function by performing a stationary phase analysis involving the endpoint variations of Xiao and Coker in Refs. 11-13. Evaluating this function for baths with many degrees of freedom is extremely difficult for two reasons: this function contains Maslov indices; furthermore, to evaluate this function the Pechukas equation must be solved. To avoid these difficulties a ZBRA can be invoked where we assume that the changes in state of the quantum subsystem have no effect on the subsequent motions of the classical subsystem or bath. However, the ZBRA can be a drastic approximation in situations where die motion of the classical subsystem uncoupled to the quantum subsystem is unstable, sensitive to its initial conditions and thereby chaotic. Unfortunately, there are several typos and minor errors within Ref. 15: in addition, there is an analytical error when performing the stationary phase analysts within Sec. III A of that reference. We encourage yon to read Ref. 39, die erratum to Ref. 15, if the results and conclusions of Ref. 15 are of interest to you. In Ref. 39 corrected expressions for the mixed quantum-semiclassical time correlation functions are provided; in addition, the typos and minor errors are listed along with their corrections.
39. J. L. McWhirter, J. Chem. Phys. (to be published).
40. J. L. McWhirter (work in progress).