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Proceedings Paper

Theoretical investigation of electric and magnetic properties of molecules and clusters
Author(s): Alexander V. Nyavro; Valerii S. Demidenko; Mikhail A. Buldakov; Victor N. Cherepanov; Yuliya N. Kalugina; Nickolai L. Zaitsev
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Paper Abstract

Method of scattering waves with the Gunnarson-Lundkvist of exchange-correlation potential was realized in software. The dipole moment function of LiH molecule in the range from small to equilibrium internuclear separations (0.3÷3.0 a.u.) were calculated. The bond length of Li2, the bond length and bond energy of Ti2 and Cr2 were calculated. The electron density distribution and magnetic properties of the nanotube fragment of Fe32Si5 have been considered.

Paper Details

Date Published: 1 November 2006
PDF: 8 pages
Proc. SPIE 6522, Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics, 652202 (1 November 2006); doi: 10.1117/12.722533
Show Author Affiliations
Alexander V. Nyavro, Tomsk State Univ. (Russia)
Valerii S. Demidenko, Tomsk State Univ. (Russia)
Mikhail A. Buldakov, Institute of Monitoring of Climatic and Ecological Systems (Russia)
Victor N. Cherepanov, Tomsk State Univ. (Russia)
Yuliya N. Kalugina, Tomsk State Univ. (Russia)
Nickolai L. Zaitsev, Tomsk State Univ. (Russia)


Published in SPIE Proceedings Vol. 6522:
Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics
Gennadii G. Matvienko; Victor A. Banakh, Editor(s)

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