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.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
M. Sprik, R. W. Impey, and M. L. Klein,J. Chem. Phys. 83:5802 (1985).
H. J. C. Berendsen, J. P. M. Postma, W. V. van Gunsteren, and J. Herman, inIntermolecular Forces, B. Pullman, ed. (Reidel, Dordrecht, 1981).
F. Y. You and G. R. Freeman,Can. J. Chem. 60:1809 (1982).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Sprik, M., Impey, R.W. & Klein, M.L. Study of electron solvation in polar solvents using path integral calculations. J Stat Phys 43, 967–972 (1986). https://doi.org/10.1007/BF02628323
Issue Date:
DOI: https://doi.org/10.1007/BF02628323