C6 dispersion coefficients from reduced dipole pseudospectra |
| |
| Authors: | Giuseppe Figari Marina Rui Camilla Costa Valerio Magnasco |
| |
| Affiliation: | (1) Dipartimento di Chimica e Chimica Industriale dell’Università, Via Dodecaneso 31 – 16146, Genova, Italy |
| |
| Abstract: | 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,  , 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. Contribution to the Fernando Bernardi Memorial Issue. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
