Nonzero Temperature Variational Principle Applied to Low Temperature Liquid Sodium
A previously derived nonzero temperature variational principle is applied to liquid sodium at 630°K to test the idea of treating fluids as collections of nuclei and electrons. The effects of symmetrizing the wave functions are incorporated using an extension of Lado’s method. The remainder of the Slater sum is parameterized using two-body effective potentials containing the analytic large-r and small-r limits and four additional parameters. The minimum of the variational integral is found by evaluating the multidimensional integrals, using the biased-selection Monte Carlo method, for 48 sets of parameter values. The resulting nucleon-nucleon distribution is compared with experiment and the nucleon-electron distribution with the ground-state, single atom Hartree-Fock result.
KeywordsVariational Principle Single Atom Virial Theorem Liquid Sodium Multidimensional Integral
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