Collision-induced dipole polarizability of helium dimer from explicitly correlated calculations |
| |
Authors: | Cencek Wojciech Komasa Jacek Szalewicz Krzysztof |
| |
Affiliation: | Department 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. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|