energy surfaces, ground state, electron gas, interaction energies
Angle dependent intermolecular potential energy surfaces for the two states (2A’ and 2A”) that arise from the interaction of ground (X^2II) state NO with Ar are calculated using the electron gas model to obtain the short range interactions. The average and difference of the two interaction energies are fit to analytic forms convenient for use in scattering calculations and joined smoothly onto the long range van der Waals potential previously determined. The results, which appear to be of useful accuracy, and the applicability of the electron gas model to such open shell–closed shell interactions are discussed.
Original Publication Citation
Nielson, Glen C., Gregory A. Parker, and Russell T. Pack."Intermolecular potential surfaces from electron gas methods. II. Angle and distance dependence of the A[prime] and A[sup [double-prime]] Ar-NO(X [sup 2] Pi) interactions." The Journal of Chemical
BYU ScholarsArchive Citation
Nielson, Glen C.; Parker, Gregory A.; and Pack, Russell T., "Intermolecular potential surfaces from electron gas methods. II. Angle and distance dependence of the A’ and A” Ar–NO(X^2II) interactions" (1977). All Faculty Publications. 773.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 1977 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at http://link.aip.org/link/?JCPSA6/66/1396/1
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