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- W2024101786 abstract "It is proposed that by evaluating pth-order spin-adapted reduced Hamiltonians and applying a model of independent groups of p electrons we can approximate the pth-order reduced density matrix (p-RDM). Subsequently this pth-order matrix is contracted to the corresponding 2-RDM. As a test example we calculate the total energy of the beryllium-atom isoelectronic sequence using an independent-trio model. The results, as expected, have a higher accuracy than those obtained with the independent-pair model." @default.
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- W2024101786 date "1988-04-01" @default.
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- W2024101786 title "Generalization to a<i>p</i>th-order space of the independent-pair model, within the spin-adapted reduced-Hamiltonian theoretical framework" @default.
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- W2024101786 doi "https://doi.org/10.1103/physreva.37.2868" @default.
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