Density functional theory

Results: 328



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311Quantum chemistry / Chemical bonding / Theoretical chemistry / Spintronics / Atomic physics / Hans Hellmann / Hellmann–Feynman theorem / Density functional theory / Chemical bond / Chemistry / Physics / Science

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Source URL: www.tc.chemie.uni-siegen.de

Language: English - Date: 2001-10-04 06:01:29
312Hubbard model / Dynamical mean field theory / Electronic correlation / Electronic band structure / Electron / Mott insulator / Quasiparticle / Mott transition / Density functional theory / Physics / Condensed matter physics / Strongly correlated material

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Source URL: www.physics.rutgers.edu

Language: English - Date: 2010-08-11 12:10:52
313Science / Philosophy of science / Density functional theory / Crystal / Local-density approximation

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Source URL: www.minsocam.org

Language: English - Date: 2010-03-10 09:09:45
314Cadmium telluride / Density functional theory / Crystal / Electronic band structure / Chemistry / Photovoltaics / Cadmium compounds

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Source URL: arxiv.org

Language: English - Date: 2006-08-05 13:32:33
315Theoretical chemistry / Computational physics / Computational chemistry / Chemical bonding / Pseudopotential / Basis set / Electronic band structure / Density functional theory / Crystal / Chemistry / Physics / Quantum chemistry

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Source URL: www.home.uni-osnabrueck.de

Language: English - Date: 2010-01-14 20:32:38
316Density 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
317Theoretical chemistry / Atomic physics / Computational chemistry / Chemical bonding / Density functional theory / Kenichi Fukui / Electron density / Chemical bond / Electron / Chemistry / Physics / Quantum chemistry

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Source URL: www.chem.duke.edu

Language: English - Date: 2009-11-10 13:35:04
318Helices / Supramolecular chemistry / Intermolecular forces / Base pair / Dipole / Molecular dynamics / Density functional theory / London dispersion force / Stacking / Chemistry / Chemical bonding / Genetics

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Source URL: www.electrochemsci.org

Language: English - Date: 2011-06-25 05:15:38
319Functional analysis / Von Neumann algebras / Operator algebras / C*-algebra / Kaplansky density theorem / Abelian von Neumann algebra / Direct integral / Noncommutative geometry / Baer ring / Mathematical analysis / Abstract algebra / Operator theory

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Source URL: www.ams.org

Language: English - Date: 2008-06-05 09:39:58
320Science / Computational chemistry / Roberto Car / Car–Parrinello molecular dynamics / Car–Parrinello method / Molecular dynamics / International School for Advanced Studies / Ab initio quantum chemistry methods / Ab initio / Chemistry / Physics / Density functional theory

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Source URL: users.ictp.it

Language: English - Date: 2007-06-20 07:44:50
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