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The Effect of Anharmonicities on the Absorption Spectrum of a Diatomic Linear Chain within a Central Force Model
Author(s) -
Held Th.,
Pfeiffer I.
Publication year - 1994
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.2221810211
Subject(s) - diatomic molecule , anharmonicity , laser linewidth , force constant , central force , fourier transform , chemistry , perturbation (astronomy) , perturbation theory (quantum mechanics) , molecular physics , physics , computational chemistry , quantum mechanics , atomic physics , molecule , laser
Abstract Closed‐form expressions for the Fourier‐transformed anharmonic force constants of a diatomic linear chain within a central force model are obtained. Some differences compared to those expressions obtained by some other authors, especially in Peierls' approximation, are discussed and illustrated by numerical calculations of the linewidth and frequency shift of the “reststrahlen” peak of a KCl crystal up to second order of the perturbation theory.