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Dipole polarizability pseudospectra and C6 dispersion coefficients for two-electron model systems

Authors :
Massimo Ottonelli
Valerio Magnasco
Publication Year :
1999
Publisher :
Elsevier, 1999.

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 the 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 monomers and the resulting C 6 dispersion coefficients of the dimers.

Details

Language :
English
Database :
OpenAIRE
Accession number :
edsair.doi.dedup.....5a3519a6cfcff03625790b2540e1ba8f