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...
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Veröffentlicht in: | Molecular physics 1998-08, Vol.94 (6), p.905-908 |
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Format: | Artikel |
Sprache: | eng |
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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. |
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ISSN: | 0026-8976 1362-3028 |
DOI: | 10.1080/002689798167476 |