Published February 15, 1977 | Version v1
Journal article

Intermolecular potential surfaces from electron gas methods. II. Angle and distance dependence of the A' and A'' Ar--NO(X 2Pi) interactions

  • 1. Department of Chemistry, Brigham Young University, Provo, Utah 84602

Description

Angle dependent intermolecular potential energy surfaces for the two states (2A' and 2A'') that arise from the interaction of ground (X 2Pi) 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

Additional details

Identifiers

Publishing Information

Journal Title
The Journal of Chemical Physics
Journal Volume
66
Journal Issue
4
Series
J. Chem. Phys.
Journal Page Range
1396-1401
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
8307696
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ARGON; ELECTRON GAS; INTERATOMIC FORCES; MATHEMATICAL MODELS; NITROGEN OXIDES
Descriptors DEC
CHALCOGENIDES; ELEMENTS; NITROGEN COMPOUNDS; NONMETALS; OXIDES; OXYGEN COMPOUNDS; RARE GASES

Optional Information

Notes
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