Literature DB >> 15668760

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

Israfil I Guseinov1.   

Abstract

Using addition theorems for complete orthonormal sets of exponential type orbitals in the momentum representation introduced by the author, the addition theorems are established for Slater type orbitals in momentum space. With the help of these addition theorems, the general series expansion formulae in terms of the product of two-center overlap integrals are established for the three-center overlap integrals that arise in the solution of atomic and molecular problems occurring when explicitly correlated methods are employed. The formulae obtained for addition theorems and three-center overlap integrals are valid for arbitrary location and parameters of orbitals.

Mesh:

Year:  2005        PMID: 15668760     DOI: 10.1007/s00894-004-0230-9

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


  5 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.  Evaluation of overlap integrals with integer and noninteger n Slater-type orbitals using auxiliary functions.

Authors:  Israfil Guseinov; Bahtiyar Mamedov
Journal:  J Mol Model       Date:  2002-09-06       Impact factor: 1.810

3.  Computation of multicenter overlap integrals with Slater-type orbitals using psi(alpha)-ETOs.

Authors:  Israfil Guseinov; Ramazan Aydin; Bahtiyar Mamedov
Journal:  J Mol Model       Date:  2003-09-04       Impact factor: 1.810

4.  Addition theorems for Slater-type orbitals and their application to multicenter multielectron integrals of central and noncentral interaction potentials.

Authors:  Israfil Guseinov
Journal:  J Mol Model       Date:  2003-05-14       Impact factor: 1.810

5.  Expansion of Slater-type orbitals about a displaced center and the evaluation of multicenter electron-repulsion integrals.

Authors: 
Journal:  Phys Rev A Gen Phys       Date:  1985-05
  5 in total
  1 in total

1.  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

  1 in total

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