Published September 1, 1975
| Version v1
Journal article
Degenerate many-body perturbation theory: Excited states of H2
Description
The degenerate many-body perturbation theory in Brandow's diagrammatic expansion is applied to 16 excited states of H2 at two internuclear separations. A single set of molecular orbitals at each separation is used for all states. Energy corrections up to third order (inclusive) are calculated, and higher-order effects are estimated by geometric extrapolation. Results agree with best available values to 1--2 kcal/mole. Differences between Goldstone and Brandow diagrams are discussed
Additional details
Identifiers
- DOI
- 10.1063/1.431600;
Publishing Information
- Journal Title
- The Journal of Chemical Physics
- Journal Volume
- 63
- Journal Issue
- 5
- Series
- J. Chem. Phys.
- Journal Page Range
- 2199-2205
- ISSN
- 0021-9606
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 7225896
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- EXCITED STATES; GOLDSTONE DIAGRAMS; HYDROGEN; MOLECULAR ORBITAL METHOD; PERTURBATION THEORY
- Descriptors DEC
- DIAGRAMS; ELEMENTS; ENERGY LEVELS; NONMETALS
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent