Asymptotic model of exchange interactions for polarizability calculation of van der Waals complexes

Issue title: Atomic and molecular nonlinear optics: Theory, Experiment and Computation A homage to the pioneering work of Stanisław Kielich (1925-1993)

Guest editors: G. Maroulis, T. Bancewicz, B. Champagne and A.D. Buckingham

Article type: Research Article

Authors: Buldakov, M.A.^a | Cherepanov, V.N.^{b; *}

Affiliations: [a] Laboratory of Ecological Instrument Making, Institute of Monitoring of Climatic and Ecological Systems SB RAS, Tomsk 634055, Russia | [b] Department of Physics, Tomsk State University, Tomsk 634050, Russia

Correspondence: [*] Corresponding author. E-mail: [email protected].

Abstract: The asymptotic model of exchange interactions for calculation of the polarizability of van der Waals complexes is discussed. The model is employed for description of the polarizability of interacting systems when their valence electron shells are weakly overlapped. The analytical expressions for the interaction polarizabilities that include induction, dispersion and exchange contributions have been obtained for X-Y and X-Y2 complexes. The calculation of the interaction polarizabilities of the complexes He-He, Ar-Ar, Kr-Xe, Xe-Xe, and Ar-H2 have been carried out.

Keywords: Polarizability, exchange interactions, van der Waals complexes

DOI: 10.3233/JCM-2010-0318

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 10, no. 3-6, pp. 165-181, 2010