Published September 1, 1975 | Version v1
Journal article

Degenerate many-body perturbation theory: Excited states of H2

Creators

  • 1. Chemistry Department, Tel Aviv University, Tel Aviv, Israel

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

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
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