Theoretical investigation of dipole moment function of LiH molecule for small internuclear separations

Michail A. Buldakov; Elena V. Koryukina; Victor N. Cherepanov; Yuliya N. Kalugina

doi:10.1117/12.675204

21 April 2006 Theoretical investigation of dipole moment function of LiH molecule for small internuclear separations

Michail A. Buldakov, Elena V. Koryukina, Victor N. Cherepanov, Yuliya N. Kalugina

Proceedings Volume 6160, Twelfth Joint International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics; 616008 (2006) https://doi.org/10.1117/12.675204
Event: Twelfth Joint International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 2005, Tomsk, Russian Federation

Abstract

The dipole moment function μ(R) of the X¹Σ⁺ electronic state of LiH molecule for small internuclear separation R has been determined. The calculations were carried out within the framework of the model of a united atom. The wave functions and energy levels of the united Be atom were calculated by ab initio HF method. The dipole moment function obtained at R -> 0 has the form μ(R) = AR³. The numeric value of the coefficient A has been obtained. The limits of an applicability of the united atom approximation for the calculation of the dipole moment of LiH molecule were determined.

Citation Download Citation

Michail A. Buldakov, Elena V. Koryukina, Victor N. Cherepanov, and Yuliya N. Kalugina "Theoretical investigation of dipole moment function of LiH molecule for small internuclear separations", Proc. SPIE 6160, Twelfth Joint International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 616008 (21 April 2006); https://doi.org/10.1117/12.675204

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