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Theory and simulation of polar and nonpolar polarizable fluids (1993)

Cao, Jianshu ; Berne, B. J.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 99 (1993), S. 6998-7011

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The theory of polarizable fluids is developed on the basis of a model fluid consisting of anisotropic Drude oscillators with embedded permanent dipoles. A matrix Monte Carlo method is used to simulate these fluids and to compare their dielectric properties with the predictions of the mean spherical approximation (MSA) theory. Simple identities are used in conjunction with the matrix expressions to derive mean spherical approximations to the screening functions for charges and permanent multipoles in polarizable fluids. This is useful in the theory of the solvated electron.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.465446

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