C6 dispersion coefficients from reduced dipole pseudospectra

摘要

A recently proposed interpolation tech- nique for FDPs is extended to cover static pseudospectra of monomers as well. Reduced 4-term dipole pseudospectra are obtained for the ground states of H, He, $H_2^+, H_2$ , LiH, BeH2, BH, giving dispersion constants from which highly accurate C6 dispersion coefficients for all homo- and hetero-dimers are obtained by use of the generalized London formula.