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Study of electron solvation in polar solvents using path integral calculations |
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| Authors: | M. Sprik R. W. Impey M. L. Klein |
| Affiliation: | (1) Chemistry Division, National Research Council of Canada, K1A OR6 Ottawa, Ontario, Canada |
| Abstract: | A path-integral Monte Carlo algorithm for the simulation of electrons solvated in polar liquids is briefly outlined, and results are presented for the electron solvated in liquid water. |
| Keywords: | Path-integral Monte Carlo two-stage discretization electron solvation structure of water around a localized electron complex time-correlation function |
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