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Matches in SemOpenAlex for { <https://semopenalex.org/work/W199571875> ?p ?o ?g. }

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• W199571875 abstract "A linear scaling implementation of the trust-region self-consistent field (LS­ TRSCF) method for the Hartree-Fock and Kohn-Sham calculations is described. The con­ vergence of the method is smooth and robust and of equal quality for small and large sys­ tems. The LS- TRSCF calculations converge in several cases where conventional DIIS cal­ culations diverge. The LS- TRSCF method may be recommended as the standard method for both small and large molecular systems." @default.
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• W199571875 date "2006-10-27" @default.
• W199571875 modified "2023-10-18" @default.
• W199571875 title "Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories" @default.
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• W199571875 doi "https://doi.org/10.1201/b12251-12" @default.
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