Theoretical investigation of electric and magnetic properties of molecules and clusters

Alexander V. Nyavro; Valerii S. Demidenko; Mikhail A. Buldakov; Victor N. Cherepanov; Yuliya N. Kalugina; Nickolai L. Zaitsev

doi:10.1117/12.722533

1 November 2006 Theoretical investigation of electric and magnetic properties of molecules and clusters

Alexander V. Nyavro, Valerii S. Demidenko, Mikhail A. Buldakov, Victor N. Cherepanov, Yuliya N. Kalugina, Nickolai L. Zaitsev

Author Affiliations +

Proceedings Volume 6522, Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics; 652202 (2006) https://doi.org/10.1117/12.722533
Event: Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics, 2006, Tomsk, Russian Federation

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.

Citation Download Citation

Alexander V. Nyavro, Valerii S. Demidenko, Mikhail A. Buldakov, Victor N. Cherepanov, Yuliya N. Kalugina, and Nickolai L. Zaitsev "Theoretical investigation of electric and magnetic properties of molecules and clusters", Proc. SPIE 6522, Thirteenth Joint International Symposium on Atmospheric and Ocean Optics/ Atmospheric Physics, 652202 (1 November 2006); https://doi.org/10.1117/12.722533

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available