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Higher Anharmonicities in the Improved Unsymmetrized Self‐Consistent Field Approximation for a Crystal. II. Comparison of Calculations with Experiment
Author(s) -
Zubov V. I.
Publication year - 1978
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220880105
Subject(s) - anharmonicity , computation , monte carlo method , crystal (programming language) , field (mathematics) , stability (learning theory) , thermal , thermodynamics , physics , statistical physics , chemistry , materials science , atomic physics , condensed matter physics , mathematics , statistics , algorithm , machine learning , computer science , pure mathematics , programming language
By the method considered in the preceding papers the thermodynamic properties of strongly anharmonic crystals of Ar, Kr, and Xe are calculated in extensive temperature ranges. Various pair potentials are used and the three‐body interactions are taken into account. The thermal stability of strongly anharmonic crystals is discussed. The calculated thermodynamic properties of Ar, Kr, and Xe are compared with both the experimental data and Monte Carlo computations.