Published January 14, 1980
| Version v1
Journal article
Atomic multiplet structures obtained from Hartree-Fock, statistical exchange and local spin density approximations
Description
Numerical calculations by the Hartee-Fock, the statistical exchange and the local spin density approximations of the multiplet structures of eight light atoms and their ions are compared with one another and with experiment. It is concluded that the statistical approximation agrees well with Hartree-Fock, the local spin density approximation agrees well with experiment, and the Xα generalisation of the statistical exchange approximation does not include correlation effects. A peculiarity of approximation exchange schemes which depend on the one-electron density (instead of the one-electron orbitals) is pointed out. (author)
Additional details
Publishing Information
- Journal Title
- J. Phys., B (London). At. Mol. Phys.
- Journal Volume
- 13
- Journal Issue
- 1
- Series
- J. Phys., B (London). At. Mol. Phys.
- Journal Page Range
- 1-14
- ISSN
- 0022-3700
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 11515148
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ARSENIC; ARSENIC IONS; ATOMIC MODELS; ATOMIC RADII; CARBON; CARBON IONS; CATIONS; ELECTRON DENSITY; ELECTRONIC STRUCTURE; EXCHANGE INTERACTIONS; GERMANIUM; GERMANIUM IONS; HARTREE-FOCK METHOD; IONIZATION POTENTIAL; MULTIPLETS; NITROGEN; NITROGEN IONS; NUMERICAL SOLUTION; PHOSPHORUS; PHOSPHORUS IONS; SELF-CONSISTENT FIELD; SILICON; SILICON IONS; SPIN EXCHANGE; TITANIUM; TITANIUM IONS; ZIRCONIUM; ZIRCONIUM IONS
- Descriptors DEC
- ATOMIC IONS; CHARGED PARTICLES; ELEMENTS; INTERACTIONS; IONS; MATHEMATICAL MODELS; METALS; NONMETALS; SEMIMETALS; TRANSITION ELEMENTS