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• W2087030874 abstract "The ‘level-shifting’ technique of Saunders and Hillier is extended so as to allow guaranteed convergence of the restricted Hartree-Fock energy for many commonly found open-shell configurations. The proposed energy minimization scheme is compared with other procedures due to McWeeny, Roothaan and Segal. A test case calculation on the 2Σ+ ground state of boron oxide is described." @default.
• W2087030874 created "2016-06-24" @default.
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• W2087030874 date "1974-09-01" @default.
• W2087030874 modified "2023-10-16" @default.
• W2087030874 title "On methods for converging open-shell Hartree-Fock wave-functions" @default.
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• W2087030874 doi "https://doi.org/10.1080/00268977400102171" @default.
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