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- W2019464130 abstract "A first-principle derivation of the divide-and-conquer method is presented. A system is divided into subsystems. The Kohn-Sham equation is solved within subsystems with the full Kohn-Sham Hamiltonian and with basis sets particular to individual subsystems. Accuracy is enhanced by enlarging basis sets for subsystems. The relationship to Yang's construction of the divide-and-conquer method is discussed." @default.
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- W2019464130 title "Ab initio construction of Yang's divide-and-conquer method" @default.
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- W2019464130 doi "https://doi.org/10.1016/0009-2614(93)85587-e" @default.
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