On the calculation of dynamical properties of solvated electrons by maximum entropy analytic continuation of path integral Monte Carlo data
- 22 October 1996
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 105 (16), 7064-7078
- https://doi.org/10.1063/1.472508
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.Keywords
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