Published November 1986 | Version v1
Journal article

Spin-polarized Hartree-Fock method and localization of electrons in the outer open shell

  • 1. AN Litovskoj SSR, Vilnyus. Inst. Fiziki

Description

The expressions for matrix elements of electrostatic and spin-orbit interaction operators as well as dipole transition operator in LL-coupling during division of shells into subshells with the spins of electrons oriented up and down have been obtained. By solving spin-polarized Hartree-Fock equations the 3d-electron localization depending on the direction of their spin in 3dN atomic configurations of iron group elements has been considered. It has been shown that in the final state after photoexcitation from europium vapor 4d shell the 4f-electron does not collapse what may explain the presence of ''giant'' maximum in 4d photoabsorption spectrum passed the ionization threshold. The collapse of all 4f-electrons in 4d94fN according to this approximation occurs only in the elements which go after europium

Additional details

Additional titles

Original title (Russian)
Спин-поляризованный метод Хартри-Фока и локализация электронов во внешней открытой оболочке

Publishing Information

Journal Title
Liet. Fiz. Rinkinys
Journal Volume
26
Journal Issue
6
Series
Liet. Fiz. Rinkinys.
Journal Page Range
666-675
ISSN
0024-2969
CODEN
LFRMA

INIS

Country of Publication
Lithuania
Country of Input or Organization
USSR
INIS RN
18070767
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; ELECTRONIC STRUCTURE; HARTREE-FOCK METHOD; L-S COUPLING; MATRIX ELEMENTS; WAVE FUNCTIONS
Descriptors DEC
COUPLING; FUNCTIONS; INTERMEDIATE COUPLING