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- W2090060524 abstract "Within the framework of a restricted basis, a bonding and antibonding orbital for the ${mathrm{H}}_{2}$ molecule, a set of boson operators is found which transforms the four configurations of zero total spin (Slater determinants) into the corresponding fully correlated stationary states. In terms of these boson operators the two-body electron Hamiltonian reduces to a one-body diagonal form. This Hamiltonian can be naturally split into two parts, closed-shell and open-shell terms, behaving in very different ways; in the open-shell Hamiltonian the electrons keep their individual character while in the closed-shell Hamiltonian the coupling between electrons is so strong that it is better to treat them in a collective way. In contrast to the usual quasiboson formalism, the bosons considered in this paper commute correctly and consist of linear combinations of four electron operators representing the normal modes of the two-electron pair." @default.
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- W2090060524 date "1978-12-01" @default.
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- W2090060524 title "Dynamical description of the electronic correlation in theH2molecule: A boson Hamiltonian" @default.
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- W2090060524 doi "https://doi.org/10.1103/physreva.18.2443" @default.
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