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

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. Copyright © 1975 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim