Density functional theory

Results: 328



#Item
291Statistical mechanics / Operator theory / Quantum information science / Density matrix / Functional analysis / Hamiltonian / Physics / Quantum mechanics / Mechanics

arXiv:cond-mat/0412296v2 [cond-mat.dis-nn] 7 Feb[removed]MANY–BODY THEORY OF NON–EQUILIBRIUM

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Source URL: arxiv.org

Language: English - Date: 2008-02-02 07:00:18
292Theoretical chemistry / Density functional theory / Computational chemistry / Quantum chemistry / Materials Studio / Electronic band structure / Molecular orbital / Chemistry / Science / Crystal

DATASHEET DMol3

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Source URL: accelrys.com

Language: English - Date: 2011-08-30 15:56:15
293Density functional theory / Computational chemistry / Theoretical chemistry / Atomic physics / Kohn–Sham equations / Local-density approximation / Time-dependent density functional theory / Atomic orbital / Electronic density / Chemistry / Physics / Quantum chemistry

1 http://chem.ps.uci.edu/˜kieron/dft/book/

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Source URL: dft.uci.edu

Language: English - Date: 2010-02-03 20:41:12
294Materials science / Dynamical mean field theory / Strongly correlated material / Centre européen de calcul atomique et moléculaire / Many-body problem / Electronic correlation / Density functional theory / Theoretical physics / Physics / Quantum mechanics / Condensed matter physics

Curriculum Vitae Alexander Lichtenstein Institute of Theoretical Physics

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Source URL: theorie.physnet.uni-hamburg.de

Language: English - Date: 2013-11-14 06:00:10
295Quantum 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
296Quantum 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
297Quantum mechanics / Quantum electrodynamics / Quantum chemistry / Self-energy / Density functional theory / GW approximation / Free electron model / Hartree–Fock method / Electron / Physics / Quantum field theory / Condensed matter physics

Correlation effects in solids from first principles Ferdi Aryasetiawan Joint Research Center for Atom Technology-Angstrom Technology Partnership,

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Source URL: repository.kulib.kyoto-u.ac.jp

Language: English - Date: 2012-07-12 12:56:08
298Condensed matter physics / Buckminsterfullerene / Fullerene / Carbon nanotube / C20 / Crystal / Nanocar / Density functional theory / Electron / Physics / Fullerenes / Chemistry

29 C20, the Smallest Fullerene Fei Lin

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Source URL: www.phys.vt.edu

Language: English - Date: 2011-08-23 11:01:50
299Quantum 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
300Functional analysis / Distribution / Markov chain / Normal distribution / Probability density function / Variance / Characteristic function / Convolution / Indecomposable distribution / Mathematical analysis / Statistics / Probability theory

THE PROBABILITY O F CONSANGUINEOUS MARRIAGES L. L. CAVALLI-SFORZA, M. KIMURAI,

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Source URL: www.ncbi.nlm.nih.gov

Language: English
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