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The Journal of Physical Chemistry Letters, ISSN 1948-7185, 01/2017, Volume 8, Issue 1, pp. 35 - 40
The VV10 and rVV10 nonlocal correlation functionals are consistently implemented and assessed, with the goal of determining if the rVV10 nonlocal correlation... 
DATABASE | MATERIALS SCIENCE, MULTIDISCIPLINARY | INTERACTION ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | GENERALIZED GRADIENT APPROXIMATION | HYBRID | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
Computer Physics Communications, ISSN 0010-4655, 07/2014, Volume 185, Issue 7, pp. 2080 - 2089
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 11/2014, Volume 4, Issue 6, pp. 576 - 600
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2019, Volume 150, Issue 9, p. 094115
Unrestricted density functional theory (DFT) methods are typically expected to describe the homolytic dissociation of nonpolar single bonds in neutral species... 
NUMBER | CONSISTENT BASIS-SETS | KINETICS | STABILITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SELF-INTERACTION ERROR | NONCOVALENT INTERACTIONS | MAIN-GROUP THERMOCHEMISTRY | GENERALIZED GRADIENT APPROXIMATION | HYBRID | EXCITED-STATES
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 01/2011, Volume 83, Issue 3
A very popular ab initio scheme to calculate electronic properties in solids is the use of hybrid functionals in density functional theory (DFT) that mixes a... 
INSULATORS | PHYSICS, CONDENSED MATTER | ELECTRON-GAS | ENERGY | APPROXIMATION | SEMICONDUCTORS | EXCHANGE | BAND-GAP | Physics - Materials Science
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 12/2011, Volume 7, Issue 12, pp. 3944 - 3951
We present a comparative assessment of the accuracy of two different approaches for evaluating dispersion interactions: interatomic pairwise corrections and... 
Quantum Electronic Structure | ELECTRON-GAS | ACCURATE | HYBRID FUNCTIONALS | THERMOCHEMISTRY | PERFORMANCE | INTERACTION ENERGIES | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | APPLICABILITY | CHEMISTRY, PHYSICAL | NONCOVALENT INTERACTIONS | EXCHANGE-CORRELATION FUNCTIONALS
Journal Article