Long-range interactions between like homonuclear alkali metal diatoms.

Abstract

Long-range electrostatic and van der Waals coefficients up to terms of order R(-8) have been evaluated by the sum over states method using ab initio and time-dependent density functional theory. We employ several widely used density functionals and systematically investigate the convergence of the calculated results with basis set size. Static electric… (More)
DOI: 10.1063/1.3671371

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