On the use of UHF orbitals in ionization energy calculations |
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| Authors: | Stanislav Biskupič |
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| Institution: | (1) Department of Physical Chemistry, Slovak Technical University, Jánska 1, 880 37 Bratislava, Czechoslovakia |
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| Abstract: | The UHF Hamiltonian and simple Löwdin-like annihilators are formulated in the second quantization formalism. The so formulated Hamiltonian was employed in many-body Rayleigh-Schrödinger perturbation theory to evaluate the corrections to the UHF orbital energies. |
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| Keywords: | UHF orbital functions for ionization energies |
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