One-Particle Distribution Functions and Thermodynamics of Crystals with Many-Body Forces. II. Quantum Corrections

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Abstract

Crystalline state is described by non-symmetrical distribution functions in a self-consistent field approximation. The first quantum corrections to the HELMHOLTZ free energy and thermodynamic properties of strongly anharmonic crystals with many-body interactions are calculated in the quasi-classical case. The properties of crystalline inert gases are computed using the pair potentials of LENNARD-JONES, of BARKER and POMPE, of BARKER and BOBETIC, and of BARKER, FISHER and WATTS, together with the AXILROD-TELLER-MUTO three-body forces. The results are compared with both the experimental data and Monte Carlo calculations.

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