| Original Articles |
|
|
|
|
One-Range Addition Theorems in Terms of Ψα -ETOs for STOs and Coulomb--Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices |
| I. I. Guseinov |
| Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Canakkale, Turkey |
|
| Cite this article: |
|
I. I. Guseinov 2008 Chin. Phys. Lett. 25 4240-4243 |
|
|
|
|
Abstract
The expansion formulas in terms of complete orthonormal sets of Ψα-exponential type orbitals are established for the Slater type orbitals and Coulomb--Yukawa-like correlated interaction potentials of integer and noninteger indices. These relations are used in obtaining their unsymmetrical and symmetrical one-range addition theorems. The final results are especially useful in the calculations of multicentre multielectron integrals occurring when Hartree--Fock--Roothaan and explicitly correlated methods are employed.
|
| Keywords:
31.15.-p
31.15.Ar
31.10.+z
|
|
|
Received: 30 April 2008
Published: 27 November 2008
|
|
| PACS: |
31.15.-p
|
(Calculations and mathematical techniques in atomic and molecular physics)
|
| |
31.15.Ar
|
|
| |
31.10.+z
|
(Theory of electronic structure, electronic transitions, and chemical binding)
|
|
|
|
|
|
Hylleraas E A 1928 Z. Phys. 48 469
[3] Hylleraas E A 1930 Z. Phys. 60 624
[4] Hylleraas E A 1930 Z. Phys. 65 209
[5] L\"{owdin P O 1955 Phys. Rev. 97 1474
[6] L\"{owdin P O 1960 Rev. Mod. Phys. 32 328
[7] Szasz L 1962 Phys. Rev. 126 169
[8] James H M and Coolidge A S 1933 J. Chem. Phys. 1 825
[9] Kolos W et al 1960 Rev. Mod. Phys. 32 205
[10] Kolos W and Wolniewicz L 1964 J. Chem. Phys. 41 3663
[11] L\"{uchow A et al 1993 Int. J. Quant. Chem. 45 445
[12] Levine I N 2000 Quantum Chemistry 5th edn(Englewood Cliffs, NJ: Prentice-Hall)
[13] Sims J S et al 2002 Int. J. Quant. Chem. 901600
[14] Klopper W et al 2006 Int. Rev. Phys. Chem. 25427
[15] Guseinov I I 2002 Int. J. Quant. Chem. 90 114
[16] Condon E U and Shortley G H 1970 The Theory ofAtomic Spectra (Cambridge: Cambridge University Press)
[17] Guseinov I I 2003 J. Mol. Model. 9 135
[18] Guseinov I I 2006 J. Math. Chem. 39 253
[19] Guseinov I I 2005 J. Math. Chem. 38 489
[20] Guseinov I I, Mamedov B A, And{\ic Z and Cicek S 2008 J. Math. Chem. DOI:10.1007/s10910-008-9352-0
[21] Guseinov I I et al 2008 MATCH (submitted)
[22] Guseinov I I 1998 J. Mol. Struct. (Theochem.) 422 77
[23] Guseinov I I 2003 J. Mol. Model. 9 190
[24] Guseinov I I and Aksu H 2008 Chin. Phys. Lett. 25 896
[25] Guseinov I I 2007 J. Math. Chem. 42 415
[26] Guseinov I I 2008 J. Math. Chem. 43 1024
[27] Guseinov I I 1970 J. Phys. B 3 1399 |
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
