Published December 1, 1975
| Version v1
Journal article
Parallel polarizabilities of diatomic molecules via the partial-wave SCF procedure
Creators
- 1. Department of Chemistry and Biochemistry, UMC 03, Utah State University, Logan, Utah 84322
Description
The results of polarizability calculations on several small diatomic molecules using the recently implemented partial-wave self-consistent-field (PWSCF) method are reported. These calculations were done with the sigma orbital version of the PWSCF program so that only α/subz//subz/, the polarizability tensor component parallel to the internuclear axis, could be computed. The results are compared with matrix SCF (MSCF) results and with exact results, where available
Additional details
Identifiers
- DOI
- 10.1063/1.431209;
Publishing Information
- Journal Title
- The Journal of Chemical Physics
- Journal Volume
- 63
- Journal Issue
- 11
- Series
- J. Chem. Phys.
- Journal Page Range
- 5050-5051
- ISSN
- 0021-9606
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 7245373
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- BERYLLIUM; BORANES; HELIUM; HYDROGEN; LITHIUM HYDRIDES; POLARIZABILITY; SELF-CONSISTENT FIELD; TENSORS
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ALKALINE EARTH METALS; BORON COMPOUNDS; ELECTRICAL PROPERTIES; ELEMENTS; HYDRIDES; HYDROGEN COMPOUNDS; LITHIUM COMPOUNDS; METALS; NONMETALS; PHYSICAL PROPERTIES; RARE GASES
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent