Back to Search Start Over

Dipole polarizabilities and C6 dispersion coefficients for small atomic and molecular systems

Authors :
Massimo Ottonelli
Valerio Magnasco
Source :
Chemical Physics Letters. 259:307-312
Publication Year :
1996
Publisher :
Elsevier BV, 1996.

Abstract

An accurate evaluation of C 6 dispersion coefficients for long-range interactions involving H, He, H 2 + and H 2 has been performed using the London formula in terms of ab initio pseudostate decomposition of the static dipole polarizabilities of the individual atoms and molecules.

Details

ISSN :
00092614
Volume :
259
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi.dedup.....8e4a7db40ef582f8324f8574c952f1a2