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