TITLE

On the calculation of dynamical properties of solvated electrons by maximum entropy analytic continuation of path integral Monte Carlo data

AUTHOR(S)
Gallicchio, E.; Berne, B. J.
PUB. DATE
October 1996
SOURCE
Journal of Chemical Physics;10/22/1996, Vol. 105 Issue 16, p7064
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The maximum entropy analytic continuation method, to determine the dynamical properties of a solvated electron from equilibrium path integral Monte Carlo data, is applied to the calculation of the optical absorption spectra, real time correlation functions, and transport coefficients of an excess electron in water, supercritical helium, and supercritical xenon. Comparisons with experiments and with analytical theories are presented. © 1996 American Institute of Physics.
ACCESSION #
7639987

 

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