Broken-symmetry orbitals for the quasidi
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Hideharu Nobutoki
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Article
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1999
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John Wiley and Sons
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English
β 178 KB
Broken-symmetry orbitals were developed to study the electronic states representing the diabatic behavior of electrons. It is shown that a closed-shell system with symmetry is represented by the singlet spin-projected unrestricted HartreeαFock Ε½ . Ε½ . UHF solution in the quasidiabatic state, which g