Pseudostate decomposition of the first five multipoje static polarizabilities of H(1s) obtained from a Givens-Householder diagonalization of (h0 – e0) over a N-term STO basis with orbital exponent c = 1 allows for a rapidly convergent evaluation of c2n dispersion coefficients for H(1s)-H(1s). Twenty-five term pseudospectra with exact Ψ0 give c2n values that are accurate to at least 16 significant figures up to 2n = 14. © 1998 Taylor & Francis Ltd.
Polarizability pseudospectra and dispersion coefficients for H(1s)-H(1s)
MAGNASCO, VALERIO;OTTONELLI, MASSIMO;RUI, MARINA;COSTA, CAMILLA
1998-01-01
Abstract
Pseudostate decomposition of the first five multipoje static polarizabilities of H(1s) obtained from a Givens-Householder diagonalization of (h0 – e0) over a N-term STO basis with orbital exponent c = 1 allows for a rapidly convergent evaluation of c2n dispersion coefficients for H(1s)-H(1s). Twenty-five term pseudospectra with exact Ψ0 give c2n values that are accurate to at least 16 significant figures up to 2n = 14. © 1998 Taylor & Francis Ltd.
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