Static polarizability via a simple approximate approach involving time autocorrelation functions: I. A preliminary investigation

Authors
Arrighini, GP Durante, NL Girlanda, M Guidotti, C
Citation
Gp. Arrighini et al., Static polarizability via a simple approximate approach involving time autocorrelation functions: I. A preliminary investigation, THEOCHEM, 489(1), 1999, pp. 1-6
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
01661280 → ACNP
Volume
489
Issue
1
Year of publication
1999
Pages
1 - 6
Database
ISI
SICI code
0166-1280(19991008)489:1<1:SPVASA>2.0.ZU;2-3
Abstract
A nonstandard approach to the approximate evaluation of static dipole polar izabilities of quantum systems is suggested and tested on some simple examp les. The method avoids the recourse to the well-known "sum-over-states" alg orithm and extracts the (few) ingredients needed to compute the property fr om the electronic ground state wavefunction. (C) 1999 Elsevier Science B.V. All rights reserved.