화학공학소재연구정보센터
Chemical Physics Letters, Vol.463, No.1-3, 258-262, 2008
Linear response theory of the dipole-dipole dispersion interaction between H(1s) atoms
A self-consistent theory of the linear response previously developed by one of us is applied to the dipole dipole dispersion interaction of two ground state H atoms in the united atom (He) limit, using a Sellmeier representation of the polarizability in terms of pseudostates. Numerical calculations show that a truncated 12-term expansion out of the N = 22 H(1s) dipole pseudospectrum built from STOs with orbital exponent c = 0.985 gives a result exceeding by no more than 5% the variational result for the He dispersion energy. (c) 2008 Elsevier B.V. All rights reserved.