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
Creators
- 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
- DOI
- 10.1063/1.434124;
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
- Updated automatically by Metadata and Full-Text Enrichment Agent