"Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) ..."

Marco De La Pierre et al. (2011)

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DOI: 10.1002/JCC.21750

access: closed

type: Journal Article

metadata version: 2023-02-07

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Marco De La Pierre, Roberto Orlando, Lorenzo Maschio, Klaus Doll, Piero Ugliengo, Roberto Dovesi:
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg₂SiO₄. J. Comput. Chem. 32(9): 1775-1784 (2011)

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