21 April 2006 Theoretical investigation of dipole moment function of LiH molecule for small internuclear separations
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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.
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Michail A. Buldakov, Michail A. Buldakov, Elena V. Koryukina, Elena V. Koryukina, Victor N. Cherepanov, Victor N. Cherepanov, Yuliya N. Kalugina, 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); doi: 10.1117/12.675204; https://doi.org/10.1117/12.675204
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