A conundrum for density functional theory

descriptionPublicationkeyboard_double_arrow_right Article 06 Jan 2017 English Publisher:American Association for the Advancement of Science (AAAS)Journal:Science, volume 355, pages 28-29 (issn: 0036-8075, eissn: 1095-9203,

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Authors: Sharon, Hammes-Schiffer;

doi: 10.1126/science.aal3442

pmid: 28059729

A conundrum for density functional theory

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Abstract

DFT studies may sometimes get the right results for the wrong reasons

Related Organizations

University of Illinois at Urbana Champaign
United States

Keywords

Humans, Quantum Theory, Thermodynamics

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