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Toward reliable density functional methods without adjustable parameters: The PBE0 model

Journal of Chemical Physics, 1999
Vincenzo Barone   +2 more
exaly  

Computational predictions of energy materials using density functional theory

Nature Reviews Materials, 2016
Anubhav Jain   +2 more
exaly  

New exchange-correlation density functionals: The role of the kinetic-energy density

Journal of Chemical Physics, 2002
A Daniel Boese   +2 more
exaly  

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