POTENTIAL-ENERGY SURFACE FOR NO-HE SYSTEM FROM THE STATE-TO-STATE RATE COEFFICIENTS

Citation
Pm. Agrawal et al., POTENTIAL-ENERGY SURFACE FOR NO-HE SYSTEM FROM THE STATE-TO-STATE RATE COEFFICIENTS, Indian Journal of Pure & Applied Physics, 32(9), 1994, pp. 750-755
Citations number
NO
Categorie Soggetti
Physics
ISSN journal
00195596
Volume
32
Issue
9
Year of publication
1994
Pages
750 - 755
Database
ISI
SICI code
0019-5596(1994)32:9<750:PSFNSF>2.0.ZU;2-Y
Abstract
The rotationally inelastic collisions in NO - He system have been stud ied to investigate the problem of determination of the potential energ y surface from the experimental state-to-state rate coefficients. By c omparing the computed cross sections with the available experimental d ata the appropriateness of different forms and parameters of the inter molecular potentials has been explored. It is found that the pairwise Lennard-Jones potential is capable of explaining the propensity for ev en transitions in such heteronuclear diatomic molecule having atoms of nearly equal mass. It is also observed that such pairwise potential i s far better than a potential which is expressible by a product of Len nard-Jones potential as a radial term and a linear combination of Lege ndre polynomials as the angular term. The pairwise Lennard-Jones poten tial having the values of its parameters in the reasonable range is, h owever, found to be insufficient to account for the experimental rotat ional inelasticity. It is seen that a further improvement in the poten tial can be achieved by making the parameters of the pairwise Lennard- Jones potential angle dependent.