Literature DB >> 14648257

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.

Israfil Guseinov1.   

Abstract

In this study, using complete orthonormal sets of Psi(alpha)-ETOs (where alpha=1, 0, -1, -2, ...) introduced by the author, a large number of series expansion formulae for the multicenter electronic attraction (EA), electric field (EF) and electric field gradient (EFG) integrals of the Yukawa-like screened Coulomb potentials (SCPs) is presented through the new central and noncentral potentials and the overlap integrals with the same screening constants. The final results obtained are valid for arbitrary locations of STOs and their parameters.

Mesh:

Year:  2003        PMID: 14648257     DOI: 10.1007/s00894-003-0164-7

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.  Unified analytical treatment of one- and two-electron multicenter integrals with Slater-type orbitals.

Authors: 
Journal:  Phys Rev A Gen Phys       Date:  1988-04-01
  2 in total

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