High precision calculation of multipolar dynamic polarizabilities and two- and three-body dispersion coefficients of atomic hydrogen |
| |
| Authors: | M A Cebim Mauro Masili and J J De Groote |
| |
| Institution: | 1.Instituto de Química, UNESP,S?o Paulo State University,Araraquara,Brazil;2.Centro Integrado de Pesquisa, CENIP,Centro Universitário Central Paulista, UNICEP,S?o Carlos,Brazil;3.Laboratório de Inteligência Artificial e Aplica??es, Faculdades COC,Ribeir?o Preto,Brazil |
| |
| Abstract: | In this paper we investigate a variationally stable procedure for multipolar dynamic polarizabilities calculation as well
as the two- and three-body van der Waals coefficients of the hydrogen atom. This approach provides precise, fast convergent
values for real and imaginary frequency-dependent 2
L
-pole dynamic polarizabilities. Highly accurate two- and three-body van der Waals dispersion coefficients are calculated from
dynamic polarizabilities at imaginary photon frequencies. The present approach is also precise for higher interaction orders.
The results are compared with previous calculations found in the literature. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
