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

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 language	English
Pages (from-to)	2759-2766
Number of pages	8
Journal	Molecular Physics
Volume	104
Issue number	16-17
DOIs	https://doi.org/10.1080/00268970600875315
Publication status	Published - 20 Aug 2006

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/00268970600875315

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

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.",

author = "Lavrentieva, {N. N.} and Starikov, {V. I.}",

year = "2006",

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N2 - 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.

AB - 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.

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