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- W2044603968 abstract "Various formulations (Moffitt's hermitean, non-hermitean, Schmidt- and symmetrically orthogonalized) of the atoms-in-molecules method are applied to the ground state of the H2 molecule. In using energy partitioning with respect to specific contributions provided by various approaches, conclusions are drawn concerning the properties of individual solutions and their mutual relationships." @default.
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- W2044603968 date "1981-09-01" @default.
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- W2044603968 title "An investigation of the method of atoms-in-molecules" @default.
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- W2044603968 doi "https://doi.org/10.1016/0301-0104(81)80125-5" @default.
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