Dipole polarizability pseudospectra and C-6 dispersion coefficients for two-electron model systems

Citation
V. Magnasco et M. Ottonelli, Dipole polarizability pseudospectra and C-6 dispersion coefficients for two-electron model systems, CHEM P LETT, 311(5), 1999, pp. 407-413
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
311
Issue
5
Year of publication
1999
Pages
407 - 413
Database
ISI
SICI code
0009-2614(19991001)311:5<407:DPPACD>2.0.ZU;2-F
Abstract
Convergence of dipole pseudospectra for the 2-electron model systems He and H-2 is studied for Riley-Dalgarno- and Kolos-Wolniewicz-type wavefunctions explicitly including electron correlation in terms of positive powers of t he interelectronic distance. 40-term pseudospectra for He and 34-term for H -2 give almost a 4-figure accuracy for the static polarizabilities of the m onomers and the resulting C-6 dispersion coefficients of the dimers. (C) 19 99 Elsevier Science B.V. All rights reserved.