Literature DB >> 16416270

New complete orthonormal sets of hyperspherical harmonics and their one-range addition and expansion theorems.

Israfil I Guseinov1.   

Abstract

In this study, the complete orthonormal sets of phi(alpha)-momentum space orbitals (where alpha = 1, 0, -1, -2, ...) obtained from the psi(alpha)-ETO in coordinate representation (I.I. Guseinov, J. Mol. Model., 9 (2003) 135) are reduced to the complete orthonormal sets of hyperspherical harmonics (HSH) by means of a Fock transformation of the radial momentum to an angular variable. It is shown that the group of transformations is the four-dimensional rotation group O(4) and, therefore, the HSH presented in this work are the complete orthonormal sets of functions. For these functions, the one-range addition and expansion theorems are obtained. The formulae for HSH and their addition and expansion theorems derived in this work can be used to evaluate the multicenter integrals that arise when exponential-type basis functions are used in atomic and molecular calculations.

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Year:  2006        PMID: 16416270     DOI: 10.1007/s00894-005-0093-8

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  2 in total

1.  Addition and expansion theorems for complete orthonormal sets of exponential-type orbitals in coordinate and momentum representations.

Authors:  Israfil Guseinov
Journal:  J Mol Model       Date:  2003-04-02       Impact factor: 1.810

2.  Addition theorems for Slater-type orbitals in momentum space and their application to three-center overlap integrals.

Authors:  Israfil I Guseinov
Journal:  J Mol Model       Date:  2005-01-25       Impact factor: 1.810

  2 in total

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