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Linear response theory of the dipole–dipole dispersion interaction between H(1s) atoms

Authors :
Camilla Costa
Giuseppe Figari
Valerio Magnasco
Michele Battezzati
Source :
Chemical Physics Letters. 463:258-262
Publication Year :
2008
Publisher :
Elsevier BV, 2008.

Abstract

A self-consistent theory of the linear response previously developed by one of us is applied to the dipole–dipole dispersion interaction of two ground state H atoms in the united atom (He) limit, using a Sellmeier representation of the polarizability in terms of pseudostates. Numerical calculations show that a truncated 12-term expansion out of the N = 22 H(1s) dipole pseudospectrum built from STOs with orbital exponent c = 0.985 gives a result exceeding by no more than 5% the variational result for the He dispersion energy.

Details

ISSN :
00092614
Volume :
463
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi.dedup.....2887b5a8c90c4597c3274f0bfe7b3fee