Published July 15, 1977
| Version v1
Journal article
Comment on fitting ab initio intermolecular potentials for scattering calculations
Description
The angular dependence of the interaction between two rigid linear rotors is considered, and one of the two expansions in current use is shown to be inappropriate. Interpolation of tabulated radial interactions is also discussed, and numerical tests are presented which demonstrate the accuracy of Lagrange and spline algorithms as a function of the spacing between points
Additional details
Identifiers
- DOI
- 10.1063/1.434877;
Publishing Information
- Journal Title
- The Journal of Chemical Physics
- Journal Volume
- 67
- Journal Issue
- 2
- Series
- J. Chem. Phys.
- Journal Page Range
- 715-717
- ISSN
- 0021-9606
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 8344561
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ACCURACY; ENERGY TRANSFER; INTERMOLECULAR FORCES; INTERPOLATION; MOLECULAR MODELS; MOLECULE-MOLECULE COLLISIONS; POTENTIAL ENERGY; SCATTERING; SERIES EXPANSION
- Descriptors DEC
- COLLISIONS; ENERGY; MATHEMATICAL MODELS; MOLECULE COLLISIONS; NUMERICAL SOLUTION
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent