THE 4-COMPONENT RANDOM-PHASE-APPROXIMATION METHOD APPLIED TO THE CALCULATION OF FREQUENCY-DEPENDENT DIPOLE POLARIZABILITIES

Citation
L. Visscher et al., THE 4-COMPONENT RANDOM-PHASE-APPROXIMATION METHOD APPLIED TO THE CALCULATION OF FREQUENCY-DEPENDENT DIPOLE POLARIZABILITIES, Chemical physics letters, 274(1-3), 1997, pp. 181-188
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
274
Issue
1-3
Year of publication
1997
Pages
181 - 188
Database
ISI
SICI code
0009-2614(1997)274:1-3<181:T4RMAT>2.0.ZU;2-R
Abstract
The random phase approximation method based on the 4-component Dirac-C oulomb Hamiltonian is applied to the calculation of the frequency depe ndent dipole polarizabilities of water, stannane and the mercury atom. Results are compared with calculations in which relativity is treated via perturbation theory. For the lighter systems and for the static p olarizability of mercury relativistic perturbation theory works well. However, for the heavier systems, Hg in particular, it fails to give t he right relativistic correction to the frequency dependence of the po larizability. (C) 1997 Elsevier Science B.V.