Published 1993
| Version v1
Journal article
Accurate algebraic densities and intracules for heliumlike ions
- 1. Muroran Inst. of Technology, Hokkaido (Japan)
- 2. Univ. of New Brunswick, Fredericton (Canada)
Description
Accurate electron number densities and interelectronic distance (intracule) densities are given in simple algebraic form for the ground states of H-, He, Li+, Be2+, B3+, and Ne8+. The densities are obtained from systematic sequences of increasingly accurate Hylleraas-type wave functions. The most accurate densities are obtained from 204-term wave functions that lead to variational energies no more than 16 nano-Hartrees above the exact ones. The algebraic densities permit the evaluation of systematic sequences of many expectation values. Some moments of the densities are evaluated in this manner. 22 refs., 1 fig., 6 tabs
Additional details
Publishing Information
- Journal Title
- International Journal of Quantum Chemistry
- Journal Volume
- 46
- Journal Issue
- 6
- Journal Page Range
- p. 689-699.
- ISSN
- 0020-7608
- CODEN
- IJQCB2
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 25024179
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- BERYLLIUM; BORON; ELECTRON DENSITY; GROUND STATES; HELIUM; HYDROGEN; IONS; LITHIUM; MATHEMATICAL MODELS; NEON; WAVE FUNCTIONS
- Descriptors DEC
- ALKALI METALS; ALKALINE EARTH METALS; CHARGED PARTICLES; ELEMENTS; ENERGY LEVELS; FUNCTIONS; METALS; NONMETALS; RARE GASES; SEMIMETALS