| Original Articles |
|
|
|
|
Ground State Energy Calculations of Isoelectronic Series of He in Double-Zeta Approximation Using Coulomb Potential with Noninteger Indices |
| GUSEINOV I. Israfil;AKSU Hüseyin |
| Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Canakkale, Turkey |
|
| Cite this article: |
|
GUSEINOV I. Israfil, AKSU Hüseyin 2008 Chin. Phys. Lett. 25 896-898 |
|
|
|
Abstract Using formulae for one- and two-electron integrals of Coulomb interaction potential fk(r)=r-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψα-exponential-type
orbitals (α=1,0,-1,-2...), we perform the calculations for isoelectronic series of the He atom containing nuclear charges from 2 to 10, where k=1-μ (-1<μ<0). For this purpose we have used the double-zeta approximation, the configuration interaction and coupled-cluster methods employing the integer-n Slater-type orbitals as basis sets. It is demonstrated that the results of
calculations obtained are better than the numerical Hartree--Fock values.
|
| Keywords:
31.10.+z
31.25.-v
31.25.Eb
|
|
|
Received: 13 December 2007
Published: 27 February 2008
|
|
|
|
|
|
|
|
[1] Slater J C 1960 Quantum Theory of Atomic Structure (NewYork: McGraw-Hill) vol 2
[2] Hylleraas E A 1928 Z. Phys. 48 469
[3] Hylleraas E A 1929 Z. Phys. 54 347 Hylleraas E A 1930 Z. Phys. 60 624 Hylleraas E A 1930 Z. Phys. 65 209
[4] Boys S F 1950 Proc. Phys. Soc. London A 201 125
[5] L\"owdin P O 1955 Phys. Rev. 97 1474 L\"owdin P O 1960 Rev. Mod. Phys. 32 328
[6] Cizek J and Paldus J 1980 Physica Scripta 21 241
[7] Guseinov I I 1988 Phys. Rev. A 37 2314
[8] Roothaan C C J 1951 Rev. Mod. Phys. 23 69
[9] Roothaan C C J 1960 Rev. Mod. Phys. 32 179
[10] Guseinov I I 2007 J. Math. Chem. 42 415
[11] Guseinov I I 1970 J. Phys. B 1399
[12] Guseinov I I 2004 J. Chem. Phys. 120 9454
[13] Guseinov I I 2007 J. Math. Chem. 42 177
[14] Guseinov I I, Mamedov B A, Ert\"urk M, Aksu H and \c Sahin E2007 Few Body Systems 41 211
[15] Levine I N 2000 Quantum Chemistry 5th edn (EnglewoodCliffs, NJ: Prentice-Hall)
[16] Guseinov I I, Ert\"urk M, \c Sahin E and Aksu H 2007 Chin. J. Chem. 26 213
[17] Clementi E and Roetti C 1974 At. Data Nucl. Data Tables 14 177
[18] Koga T and Thakkar A J 1993 Theor. Chim. Acta 85 363
[19] Koga T, Shimazaki T and Satoh T 2000 J. Mol. Struct.$($Theochem$)$ 496 95
[20] Brown G E and Ravenhall D G 1951 Proc. Phys. Soc.London A 208 552
[21] Stanton R E and Havriliak S 1984 J. Chem. Phys. 811910 |
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
