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- W2080507489 abstract "A simple antisymmetrized product of geminals wave function is proposed for the treatment of electron correlation in extended systems. The individual geminals are constructed using the pairing concept introduced with the alternant molecular orbital method. Explicit expressions are reported for the ground-state energy and for its optimization conditions. The model is applied to the π-electronic system of cyclic polyenes employing delocalized closed-shell Hartree–Fock orbitals to build the geminals." @default.
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- W2080507489 date "1990-03-01" @default.
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- W2080507489 title "Simplified antisymmetrized product of geminals wave function for extended systems. I. Delocalized geminals" @default.
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- W2080507489 doi "https://doi.org/10.1063/1.457898" @default.
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