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• W2023952743 abstract "In a recent paper on Hartree-Fock (HF) calculations on solid LiH with large Gaussian-type basis sets, Paier et al. [Phys. Rev. B 80, 174114 (2009)] report a comment that we dispute: that similar calculations appear unlikely to be feasible using the CRYSTAL code. Here we show that using a full HF approach within periodic boundary conditions as implemented in the CRYSTAL code the same total energy is obtained as from the schemes adopted by Paier et al." @default.
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• W2023952743 date "2010-03-24" @default.
• W2023952743 modified "2023-09-24" @default.
• W2023952743 title "Comment on “Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets”" @default.
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• W2023952743 doi "https://doi.org/10.1103/physrevb.81.106101" @default.
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