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Journal of Chemical Physics, ISSN 0021-9606, 02/2007, Volume 126, Issue 8, pp. 084108 - 084108-12
Journal Article
2009, 1. Aufl., ISBN 9780470373170, xii, 238
Demonstrates how anyone in math, science, and engineering can master DFT calculationsDensity functional theory (DFT) is one of the most frequently used... 
Quantum chemistry | Density functionals | Mathematical physics | Condensed Matter | Physics | SCIENCE
Book
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 09/2011, Volume 1, Issue 5, pp. 810 - 825
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2007, Volume 127, Issue 12, pp. 124105 - 124105-8
Two modifications of Gaussian-4 (G4) theory [ L. A. Curtiss , J. Chem. Phys. 126 , 084108 ( 2007 ) ] are presented in which second- and third-order... 
DENSITY-FUNCTIONAL THEORIES | 2ND-ROW COMPOUNDS | MODEL CHEMISTRY | COMPLETE BASIS-SET | COMPUTATIONAL THERMOCHEMISTRY | CORRELATED MOLECULAR CALCULATIONS | AB-INITIO THERMOCHEMISTRY | ZERO-POINT ENERGIES | ATOMS ALUMINUM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMIZATION ENERGIES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2012, Volume 136, Issue 15, pp. 150901 - 150901-9
Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT... 
ACCURATE | NOBEL LECTURE | THOMAS-FERMI | APPROXIMATION | FRACTIONALLY OCCUPIED STATES | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | EXCHANGE | ENERGIES | ELECTRONIC EXCITATIONS | METAL OXIDES | Correlation | Electronic structure | Liquids | Approximation | Density functional theory | Materials science | Computational efficiency | Standards
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2015, Volume 11, Issue 2, pp. 568 - 580
We introduce embedded mean-field theory (EMFT), an approach that flexibly allows for the embedding of one mean-field theory in another without the need to... 
HYDROGEN EVOLUTION | AUXILIARY BASIS-SETS | MOLECULAR-ORBITAL METHODS | EFFECTIVE CORE POTENTIALS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DENSITY-FUNCTIONAL-THEORY | CHEMISTRY, PHYSICAL | GEOMETRY OPTIMIZATION | WALLED CARBON NANOTUBES | HARTREE-FOCK | DIRECT INVERSION
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 07/2014, Volume 4, Issue 4, pp. 325 - 362
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 03/2014, Volume 4, Issue 2, pp. 127 - 144
Journal Article