In this paper we discuss an algorithm for calculation of the temperature-dependent anharmonic correction to the phonon spectrum in atomic and molecular crystals. We show how the equation of motion method can be used to compute corrections of arbitrary perturbation order to the phonon self-energy. Complete analytical expressions up to order λ6 are obtained as an application of the method.
Computer-Aided Series Expansion for Phonon Self-Energy / R.G Della Valle;P Procacci. - In: JOURNAL OF COMPUTATIONAL PHYSICS. - ISSN 0021-9991. - STAMPA. - 165:(2000), pp. 428-436. [10.1006/jcph.2000.6618]
Computer-Aided Series Expansion for Phonon Self-Energy
PROCACCI, PIERO
2000
Abstract
In this paper we discuss an algorithm for calculation of the temperature-dependent anharmonic correction to the phonon spectrum in atomic and molecular crystals. We show how the equation of motion method can be used to compute corrections of arbitrary perturbation order to the phonon self-energy. Complete analytical expressions up to order λ6 are obtained as an application of the method.
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