Insights into current limitations of density functional theory

Science

Volumn 321, Issue 5890, 2008, Pages 792-794

  Cohen, Aron J ^a   Mori Sánchez, Paula ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMER; HYDROGEN; ION; METAL;

DENSITY; ELECTRON; MODELING;

ANALYTICAL ERROR; CHEMICAL REACTION; COMPUTER SIMULATION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DISSOCIATION CONSTANT; ELECTRIC POTENTIAL; ENERGY RESOURCE; HYDROGEN BOND; ION TRANSPORT; MAGNETIC FIELD; MATHEMATICAL MODEL; PRIORITY JOURNAL; REVIEW; THERMODYNAMICS;

EID: 49449097052     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1158722     Document Type: Review

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23. We acknowledge the NSF for financial support and D. N. Beratan and J. M. Parks for help in preparation of the manuscript.