Roothaan INDO CI spin density calculation |
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| Authors: | Viliam Klimo Jozef Tiňo |
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| Institution: | Polymer Institute, Slovak Academy of Sciences, 809 34 Bratislava, Czechoslovakia |
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| Abstract: | Spin densities have been calculated by the Roothaan INDO CI method in the parametrization of Pople and Kaufman. The dependence of the spin densities on both the type and the number of configurations in CI has been followed. Results have been compared with the UHF and spin-projected UHF methods. |
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