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 | |
| Publication status | Published - 20 Aug 2006 |
ASJC Scopus subject areas
- Biophysics
- Molecular Biology
- Condensed Matter Physics
- Physical and Theoretical Chemistry
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Lavrentieva, N. N., & Starikov, V. I. (2006). Approximation of resonance functions for exact trajectories in the pressure-broadening theory. Real parts. Molecular Physics, 104(16-17), 2759-2766. https://doi.org/10.1080/00268970600875315