Accurate prediction of the properties of materials using the CAM-B3LYP density functional

Li, MS; Reimers, JR; Ford, MJ; Kobayashi, R; Amos, RD

Reimers, JR (corresponding author), Shanghai Univ, Int Ctr Quantum & Mol Struct, Shanghai 200444, Peoples R China.; Reimers, JR (corresponding author), Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China.

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021; 42 (21): 1486

Abstract

Density functionals with asymptotic corrections to the long-range potential provide entry-level methods for calculations on molecules that can sustain......

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