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- W127920160 abstract "The generalization of Becke’s numerical integration scheme to periodic functions is presented, which allows the LCAO-Kohn-Sham equations for crystals to be solved efficiently. The computational implementation of the scheme and its calibration are briefly discussed." @default.
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- W127920160 title "Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals" @default.
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- W127920160 doi "https://doi.org/10.1007/978-3-642-61478-1_5" @default.
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