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The effect on the thermodynamics and distribution functions in including point polarizability in the Stockmayer fluid is evaluated. A large effect on the dielectric constant is found. As in the non-polarizable case, the single super chain integral equation gives dielectric constants in excess of...
Persistent link: https://www.econbiz.de/10010584591
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Computer molecular dynamics calculations give no support to the mode-coupling prediction that the power law of the asymptotic decay of the velocity autocorrelation function is independent of the density of the Lorentz scatters.
Persistent link: https://www.econbiz.de/10010584882
Electronic properties of bulk lithium at zero temperature were calculated by the variational and diffusion many-body quantum Monte Carlo algorithm over the range from 20-fold expansion to 100-fold compression. Total energies, zero-pressure properties, pair distribution functions, and electron...
Persistent link: https://www.econbiz.de/10010586812