Literature DB >> 12687432

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

Israfil Guseinov1.   

Abstract

Analytical properties of new complete orthonormal sets of Psi(alpha) exponential-type orbitals (Psi(alpha)-ETOs where alpha=1, 0, -1, -2, em leader ), introduced by the author as finite linear combinations of Slater-type orbitals (STOs), are studied. Addition and expansion theorems for Psi(alpha)-ETOs are obtained in both coordinate and momentum representations. Using expressions of Psi(alpha)-ETOs in terms of STOs, the new methods are suggested to calculate multicenter multielectron integrals over STOs.

Mesh:

Year:  2003        PMID: 12687432     DOI: 10.1007/s00894-002-0109-6

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


  3 in total

1.  Use of psi(alpha)-ETOs in the unified treatment of electronic attraction, electric field and electric field gradient multicenter integrals of screened Coulomb potentials over Slater orbitals.

Authors:  Israfil Guseinov
Journal:  J Mol Model       Date:  2003-11-26       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

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

Authors:  Israfil I Guseinov
Journal:  J Mol Model       Date:  2006-01-17       Impact factor: 1.810

  3 in total

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