Polarizability pseudospectra and dispersion coefficients for H(1s)-H(1s)

Pseudostate decomposition of the first five multipole static polarizabilities of H(1s) obtained from a Givens-Householder diagonalization of (H 0 - EE 0 ) over a N-term STO basis with orbital exponent c = 1 allows for a rapidly convergent evaluation of c 2n dispersion coefficients for H(1s)-H(1s). T...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Molecular physics 1998-08, Vol.94 (6), p.905-908
1. Verfasser: VALERIO MAGNASCO MASSIMO OTTONELLI GIUSEPPE FIGARI MARINA RUI CAMILLA COSTA
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Pseudostate decomposition of the first five multipole static polarizabilities of H(1s) obtained from a Givens-Householder diagonalization of (H 0 - EE 0 ) over a N-term STO basis with orbital exponent c = 1 allows for a rapidly convergent evaluation of c 2n dispersion coefficients for H(1s)-H(1s). Twenty-five term pseudospectra with exact ψ 0 give C 2n values that are accurate to at least 16 significant figures up to 2 n = 14.
ISSN:0026-8976
1362-3028
DOI:10.1080/002689798167476