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Unsymmetrized self‐consistent field approximation for a crystal. I. Linear chain
Author(s) -
Zubov V. I.
Publication year - 1975
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.2220720106
Subject(s) - helmholtz free energy , anharmonicity , chain (unit) , perturbation theory (quantum mechanics) , free energy perturbation , perturbation (astronomy) , field (mathematics) , physics , mathematics , statistical physics , quantum electrodynamics , classical mechanics , quantum mechanics , molecular dynamics , pure mathematics
In the unsymmetrized self‐consistent field approximation the second‐order correction to the Helmholtz free energy is derived by statistical perturbation theory. This correction takes into account the effect of the anharn micity of odd orders on the Helmholtz free energy and on the thermodynamic properties of a crystal. The case of the linear chain is studied in more detail. Special attention is paid to the case of strong anharmonicity.