Collision-induced dipole polarizability of helium dimer from explicitly correlated calculations
Wojciech Cencek1, Jacek Komasa, Krzysztof Szalewicz
1Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716, USA. cencek@udel.edu
Abstract:
Large expansions in basis sets of explicitly correlated Gaussian functions and the variation-perturbation technique were used to calculate the static dipole polarizability of the helium dimer at 16 different internuclear separations from 1.0 to 9.0 bohrs. The convergence towards the complete basis set limit was analyzed in order to estimate uncertainties of all the calculated values. The results are significantly more accurate than literature data. Asymptotically correct analytic fits for the trace and anisotropy of collision-induced polarizability were obtained.
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