Calculation of atomic properties using Coulomb potential with noninteger indices in Hartree-Fock-Roothaan approximation
2009
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Advisor: Prof. Dr. İsrafil Hüseyin
Abstract (EN)
Generaly Hartree?Fock?Roothaan method is used to calculate atomic and molecular ground state energies and physical properties. It is important to use exact wave function when we solve Hartree?Fock?Roothaan equations. In this thesis work, using recommended complete orthonormal wave function, we calculated ground state energies, orbital energies and viral ratios for open (C, N) and closed shell (He ve its isoelectronic series, Be ve its isoelectronic series, Ne, Li-, B+, F-) atoms by the use of one and two electrons integer and non?integer Coulomb potential. Taking into account new potential, we also calculated electron correlation and excitations energies using extended basis sets.
Author
Hüseyin Aksu
How to Cite
Hüseyin Aksu (Doctorate thesis). Calculation of atomic properties using Coulomb potential with noninteger indices in Hartree-Fock-Roothaan approximation, 2009, Çanakkale Onsekiz Mart University.
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