Hybrid functional

Results: 109



#Item
101Stacking / Fedora Unified Network Controller / Chemistry / Density functional theory / Hybrid functional

Feb.
15,
2011
 NSF
research
by
Yan
Zhao
and
Don
Truhlar
 Density
func,onal
theory
is
widely
used
in
the
computa,onal
chemistry
community,
but
the


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Source URL: t1.chem.umn.edu

Language: English - Date: 2011-07-05 23:21:48
102Grammar / Generative linguistics / Computational linguistics / Predicate / Binding / Lexical functional grammar / Anaphora / Question / Interpretation / Linguistics / Semantics / Philosophy of language

VENSES GetAsk: a System for Hybrid Question Answering And Answer Recovery using Text Entailment Rodolfo Delmonte

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Source URL: project.cgm.unive.it

Language: English - Date: 2013-10-11 12:44:06
103Quantum mechanics / Time-dependent density functional theory / Hybrid functional / Local-density approximation / Kohn–Sham equations / Schrödinger equation / Atomic orbital / Wave function / Jellium / Physics / Chemistry / Density functional theory

Excited states from time-dependent density functional theory Peter Elliott Department of Physics and Astronomy, University of California, Irvine, CA 92697, USA

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Source URL: www.chem.uci.edu

Language: English - Date: 2007-04-07 21:13:01
104Quantum mechanics / Theoretical chemistry / Quantum chemistry / Computational chemistry / Computational physics / Local-density approximation / Hybrid functional / Time-dependent density functional theory / Electronic band structure / Chemistry / Physics / Density functional theory

Fourteen Easy Lessons in Density Functional Theory JOHN P. PERDEW, ADRIENN RUZSINSZKY

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Source URL: www.if.pwr.wroc.pl

Language: English - Date: 2011-04-19 07:20:34
105Theoretical chemistry / Monomers / Functional groups / Quadratic configuration interaction / Hybrid functional / Alkene / Hartree–Fock method / Basis set / Ethylene oxide / Chemistry / Computational chemistry / Quantum chemistry

6092 J. Phys. Chem. A 1997, 101, [removed]

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Source URL: www.chem.wayne.edu

Language: English - Date: 2001-04-30 12:54:54
106Quantum mechanics / Local-density approximation / Thomas–Fermi model / Chemical potential / Hybrid functional / Chemistry / Physics / Density functional theory

Thesis for the degree of Teknologie licentiat Subsystem Functionals in

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Source URL: www.theophys.kth.se

Language: English - Date: 2003-03-11 12:55:47
107Density functional theory / Quantum chemistry / Atomic physics / Computational chemistry / Theoretical chemistry / Hartree–Fock method / Electronic correlation / Hybrid functional / Jellium / Chemistry / Physics / Quantum mechanics

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Source URL: www.fh.huji.ac.il

Language: English - Date: 2013-04-14 16:21:15
108Computational chemistry / Hybrid functional / Ab initio quantum chemistry methods / Hartree–Fock method / Quantum chemistry / Crystal / Axel D. Becke / Chemistry / Theoretical chemistry / Density functional theory

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Source URL: media.iupac.org

Language: English - Date: 2004-06-03 12:14:21
109Hybrid functional / Computational chemistry / Crystal / Local-density approximation / Density functional theory / Physics / Chemistry

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Source URL: dft.uci.edu

Language: English - Date: 2011-09-30 13:51:23
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