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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 115, 2017 - Issue 19
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Topical Review

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

Narbe MardirossianKenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, CA, USAView further author information
&
Martin Head-GordonKenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, CA, USA;Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USACorrespondence[email protected]
View further author information
Pages 2315-2372 | Received 10 Apr 2017, Accepted 16 May 2017, Published online: 21 Jun 2017

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