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RESEARCH PRODUCT

Editorial for PCCP themed issue "Developments in Density Functional Theory''

Lucas VisscherRobert Van LeeuwenJohannes NeugebauerF. Matthias BickelhauptF. Matthias Bickelhaupt

subject

Engineeringta114010304 chemical physicsbusiness.industryMEDLINEGeneral Physics and Astronomy010402 general chemistry01 natural sciencesData science0104 chemical sciences0103 physical sciencesDensity functional theoryPhysical and Theoretical ChemistryTheoretical Chemistrybusinessdensity functional theory

description

This issue provides an overview of the state-of-the-art of DFT, ranging from mathematical and software developments, via topics in chemical bonding theory, to all kinds of molecular and material properties. Through this issue, we also celebrate the enormous contributions that Evert Jan Baerends has made to this field.

10.1039/c6cp90143chttps://doi.org/10.1039/c6cp90143c