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Proceedings Paper

Calculation of the energy levels and wave functions of atoms by Hartree-Fock method with local exchange
Author(s): Alexander V. Nyavro; Mikhail A. Buldakov; Victor N. Cherepanov; Anastasiya S. Masyagina
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Paper Abstract

The energy levels and wave functions of ground electronic configurations of 104 atoms of the Periodic table were calculated using the Hartree-Fock method with the local approximations of exchange potential. Influence of six exchange-correlation potentials on the formation of electronic states was investigated to optimize a zero approach choice. The results allowed constructing a base of atomic spectral data of the energy levels, wave functions, electron densities and quadrupole moments of atoms. Calculation results for the atoms of second period (Li - Ne) and the first transition row (Sc - Zn) of Periodic table are given.

Paper Details

Date Published: 1 November 2006
PDF: 9 pages
Proc. SPIE 6522, Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics, 652203 (1 November 2006); doi: 10.1117/12.722536
Show Author Affiliations
Alexander V. Nyavro, Tomsk State Univ. (Russia)
Mikhail A. Buldakov, Institute of Monitoring of Climatic and Ecological Systems (Russia)
Victor N. Cherepanov, Tomsk State Univ. (Russia)
Anastasiya S. Masyagina, Tomsk State Univ. (Russia)


Published in SPIE Proceedings Vol. 6522:
Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics

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