Published January 1978
| Version v1
Journal article
Semi-statistical model for electron densities in positive and negative ions
Description
Electron density for ions from a semi-statistical model has been obtained and used to calculate the potential at the nucleus and the diamagnetic susceptibility. We have taken the quantum mechanical density close to the nucleus and have matched it with the statistical density at some distance ro. The electron density is found to be finite close to the nucleus and exponentially decreasing at large distances. Moreover, the kinetic energy density goes to zero close to nucleus in agreement with the Hartree-Fock (HF) result. The potential at the nucleus converges and is in fair agreement with the HF value. The diamagnetic susceptibility increases with increasing atomic number. (orig.)
Abstract (German)
Mit einem semi-statistischen Modell wurden ionische Elektronendichten bestimmt und zur Berechnung des Potentials am Kernort und der diamagnetischen Suszeptibilitaet verwendet. Dabei wurde die quantenmechanische Dichte nahe am Kernort genommen und an die statistische Dichte in einem Abstand ro vom Kern angepasst. Man findet eine endliche Dichte am Kernort, die fuer grosse Abstaende exponentiell abfaellt. Ausserdem geht die kinetische Energiedichte, in Uebereinstimmung mit Hartree-Fock (HF)-Ergebnissen, in der Naehe des Kerns gegen Null. Das Potential am Kernort konvergiert und gibt die HF-Werte weitgehend wieder. Die diamagnetische Suszeptibilitaet steigt mit zunehmender Ordnungszahl. (orig.)Additional details
Identifiers
- DOI
- 10.1007/bf00896899;
Publishing Information
- Journal Title
- Applied Physics
- Journal Volume
- 15
- Journal Issue
- 1
- Series
- Appl. Phys.
- Journal Page Range
- 103-109
- ISSN
- 0340-3793
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 9384510
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ANIONS; CATIONS; ELECTRON DENSITY; HARTREE-FOCK METHOD; IONS; KINETIC ENERGY; MAGNETIC SUSCEPTIBILITY; POTENTIAL ENERGY; SPATIAL DISTRIBUTION; STATISTICAL MODELS
- Descriptors DEC
- CHARGED PARTICLES; DISTRIBUTION; ENERGY; MAGNETIC PROPERTIES; MATHEMATICAL MODELS; PHYSICAL PROPERTIES
Optional Information
- Notes
- 3 figs.; 7 tabs.; 10 refs.; Updated automatically by Metadata and Full-Text Enrichment Agent