Literature DB >> 14517610

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

Israfil Guseinov1, Ramazan Aydin, Bahtiyar Mamedov.   

Abstract

Multicenter overlap integrals appearing in the evaluation of multicenter-multielectron integrals of central and noncentral interaction potentials are calculated using complete orthonormal sets of psi(alpha)-ETOs (alpha=1, 0, -1, -2,...). The final results are expressed in terms of two-center overlap integrals between STOs. The convergence of the series is tested by calculating concrete cases for arbitrary quantum numbers, screening constants and location of STOs.

Mesh:

Year:  2003        PMID: 14517610     DOI: 10.1007/s00894-003-0151-z

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


  10 in total

1.  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

2.  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

3.  Evaluation of some integrals for the atomic three-electron problem using convergence accelerators.

Authors: 
Journal:  Phys Rev A       Date:  1994-03       Impact factor: 3.140

4.  Double-linked Hylleraas configuration-interaction calculation for the nonrelativistic ground-state energy of the Be atom.

Authors: 
Journal:  Phys Rev A       Date:  1995-06       Impact factor: 3.140

5.  Specific mass shift for the sup2S ground state of the lithium atom.

Authors: 
Journal:  Phys Rev A Gen Phys       Date:  1986-12

6.  Projection-operator calculations of the lowest e--He resonance.

Authors: 
Journal:  Phys Rev A Gen Phys       Date:  1986-12

7.  Analytic evaluation of three-electron integrals.

Authors: 
Journal:  Phys Rev A Gen Phys       Date:  1987-08-01

8.  Analysis of some integrals arising in the atomic three-electron problem.

Authors: 
Journal:  Phys Rev A       Date:  1991-12-01       Impact factor: 3.140

9.  Analytic value of the atomic three-electron correlation integral with Slater wave functions.

Authors: 
Journal:  Phys Rev A       Date:  1991-11-01       Impact factor: 3.140

10.  Calculation of some integrals for the atomic three-electron problem.

Authors: 
Journal:  Phys Rev A       Date:  1992-11-01       Impact factor: 3.140

  10 in total
  1 in total

1.  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

  1 in total

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