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- W2085246698 abstract "Abstract The conjugate gradient method is proposed for minimizing the second-order Δe. Formulae for derivatives are expressed in a constructive way: they specify to which derivatives and with which weight each integral (belonging to a non-redundant list) contributes. The case of geminal functions is fully treated. A test calculation on the BeH molecule is shown." @default.
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- W2085246698 date "1981-08-01" @default.
- W2085246698 modified "2023-09-27" @default.
- W2085246698 title "The conjugate gradient method applied to the direct second-order minimization of energy" @default.
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- W2085246698 doi "https://doi.org/10.1016/0009-2614(81)85117-2" @default.
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