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Multipolar longhyphen;range electrostatic, dispersion, and induction energy terms for the interactions between two identical alkali atoms Li, Na, K, Rb, and Cs in various electronic states

机译:Multipolar longhyphen;range electrostatic, dispersion, and induction energy terms for the interactions between two identical alkali atoms Li, Na, K, Rb, and Cs in various electronic states

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摘要

For the alkali dimers Li2, Na2, K2, Rb2, and Cs2longhyphen;range potential energy curves of the molecular states corresponding to the asymptotesns+nsandns+nphave been investigated from standard perturbation method up to second order in the multipolar expansion approximation of the interaction energy. Two different cases have been considered: (i) neglecting spinhyphen;orbit effects and then values of the longhyphen;range expansion coefficientsCn,n=(3), 6, 8, (10) have been determined (ii) including spinhyphen;orbit effects and then potential energy curves have been determined numerically and are graphically displayed. Very good agreement is obtained between present curves and very recent longhyphen;range experimental ones for theXthinsp;1Sgr;+gstate of Li2and for theXthinsp;1Sgr;g+and1Pgr;gstates of Na2. The position and the energy of purely longhyphen;range extrema of the states 1u(2S1/2+2P1/2), 1u(2S1/2+2P3/2) and 0gminus;(2S1/2+2P3/2) have been determined for each alkali dimer investigated.

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