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