Expectation values of p1xp2 as a measure of electron correlation in two-electron atoms
Creators
- 1. Department of Chemistry and the James Franck Institute, The University of Chicago, Chicago, Illinois 60637
Description
We examine expectation values of p1xp2 in ground states of He and H-, the singly and doubly excited states of He, and the ground and low-lying valence states of the alkaline-earth-metal atoms. A simple commutator relation derived by Froese Fischer and Smentek-Mielczarek [J. Phys. B 16, 3479 (1983)] can be used to explain the sign and relative magnitudes of in the ground states of He and H- and singly excited states of He. In the doubly excited states of He and in the ground and low-lying valence states of the alkaline-earth metals, the molecular model, which treats the electron--core-electron system as a floppy, linear triatomic ''molecule,'' correctly predicts signs and general trends for . These results represent an important test of the molecular model. The ability of this model to make intuitive predictions about quantities like is a strong confirmation of its validity and utility
Additional details
Publishing Information
- Journal Title
- Phys. Rev., A
- Journal Volume
- 35
- Journal Issue
- 8
- Series
- Phys. Rev., A.
- Journal Page Range
- 3189-3196
- ISSN
- 0556-2791
- CODEN
- PLRAA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 19014801
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ALKALINE EARTH METALS; ATOMS; ELECTRON CORRELATION; EXCITED STATES; EXPECTATION VALUE; GROUND STATES; HELIUM; HYDROGEN; ISOELECTRONIC ATOMS; LINEAR MOMENTUM OPERATORS; TWO-BODY PROBLEM
- Descriptors DEC
- CORRELATIONS; ELEMENTS; ENERGY LEVELS; MANY-BODY PROBLEM; MATHEMATICAL OPERATORS; METALS; NONMETALS; QUANTUM OPERATORS; RARE GASES