Approximation of resonance functions for exact trajectories in the pressure-broadening theory. Real parts

N. N. Lavrentieva, V. I. Starikov

    Research output: Contribution to journalArticlepeer-review

    3 Citations (Scopus)

    Abstract

    An analytical formula for approximation of the real parts of resonance functions in the pressure-broadening theory is proposed. The trajectories are computed from the isotropic Lennard-Jones (6-12) potential using ordinary equations of classical mechanics. The proposed analytical formula is a part of a power series of hyperbolic tangents th(z). The coefficients of this series are determined for the real parts of nine resonance functions. A test calculation of broadening coefficients for HCl in argon is discussed.

    Original languageEnglish
    Pages (from-to)2759-2766
    Number of pages8
    JournalMolecular Physics
    Volume104
    Issue number16-17
    DOIs
    Publication statusPublished - 20 Aug 2006

    ASJC Scopus subject areas

    • Biophysics
    • Molecular Biology
    • Condensed Matter Physics
    • Physical and Theoretical Chemistry

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