Published January 1, 2008 | Version v1
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Calculation of negative ions of B, C, N, O and F using noninteger n Slater type orbitals

  • 1. Onsekiz Mart Univ, Fac Arts & Sci, Dept Phys, TR-17100 Canakkale, Turkey

Description

Combined Hartree-Fock-Roothaan calculations have been performed using noninteger n Slater type orbitals for the ground states of the lowest electron configurations 1s(2)2s(2)2p(n) (2 <= n <= 6) for negative ions of B, C, N, O and F. These results are compared with the corresponding results obtained from the use of integer n Slater type orbitals. All of the nonlinear parameters are fully optimized. The results of calculation of coupling-projection coefficients, orbital and total energies and virial ratios are presented. It is shown that the noninteger n Slater type orbitals, in general, improve the orbital energies.

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