论文信息 - Intermolecular potential for highly excited molecules

Intermolecular potential for highly excited molecules

The general expressions for intermolecular potential are obtained on the base of the symmetrical approach. The convergence of intermolecular potential representations to be used for practical relaxation parameter calculations is investigated. It is found the series of intermolecular potential over inverse orders of intermolecular distance are divergent. In this work the technique for the summing of divergent series is supposed. The vibrational dependence of intermolecular potential is analyzed.

V. N. Stroinova | Alexander D. Bykov | Valentina N. Stroinova | A. Bykov

[1] D. Mattis. Quantum Theory of Angular Momentum , 1981 .

[2] S. Carter,et al. A variational method for the calculation of rovibrational energy levels of triatomic molecules using a Hamiltonian in hyperspherical coordinates: Applications to H+3 and Na+3 , 1994 .

[3] Jean-Michel Hartmann,et al. Collisional broadening of rotation–vibration lines for asymmetric top molecules. I. Theoretical model for both distant and close collisions , 1986 .

[4] J. Flaud,et al. Measurements and calculations of self-broadening coefficients of lines belonging to the v2 band of H216O , 1980 .

[5] P. Taylor,et al. A potential energy surface for the process H2+H2O→H+H+H2O : Ab initio calculations and analytical representation , 1991 .

[6] V. N. Stroinova,et al. Noble Gas Pressure-Induced Broadening and Shift of H2O and SO2 Absorption Lines , 1995 .

[7] J. Hartmann,et al. Collisional broadening of rotation–vibration lines for asymmetric‐top molecules. III. Self‐broadening case; application to H2O , 1987 .

[8] Harry Partridge,et al. The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data , 1997 .