Local-density approximation

Results: 24



#Item
11Quantum chemistry / Computational chemistry / Density functional theory / Atomic physics / Hybrid functional / Ab initio quantum chemistry methods / Molecular dynamics / Local-density approximation / Jellium / Chemistry / Physics / Theoretical chemistry

Microsoft Word - F-BRIDGE - D221 - revision 0 - Assessment of atomistic modeling methods - v8 validated.doc

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Source URL: www.f-bridge.eu

Language: English - Date: 2013-04-23 06:24:59
12Science / Computational chemistry / Quantum chemistry / Computational physics / Theoretical chemistry / Crystal / Local-density approximation / Time-dependent density functional theory / Octopus / Chemistry / Physics / Density functional theory

Max Planck Institute of Microstructure Physics Theory Department Development of the Elk LAPW Code J.K. Dewhurst, S. Sharma Elk is an all-electron full-potential linearised augmented plane-wave (LAPW) code for

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Source URL: www2.mpi-halle.mpg.de

Language: English - Date: 2011-11-07 04:21:53
13Density functional theory / Local-density approximation / Philosophy of science

Max Planck Institute of Microstructure Physics Theory Department Reduced density matrix functional theory: An ab-initio approach describing strong (and weak) correlations S. Sharma, J.K. Dewhurst, T. Baldsiefen, F. Eich,

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Source URL: www2.mpi-halle.mpg.de

Language: English - Date: 2013-06-11 04:58:23
14Quantum mechanics / Computational chemistry / Molecular modelling / Force fields / Molecular dynamics / Local-density approximation / Orbital-free density functional theory / Crystal / Water vapor / Physics / Chemistry / Density functional theory

APS March Meeting 2015 San Antonio, Texas http://www.aps.org/meetings/march/index.cfm Thursday, March 5, 2015 8:00AM - 10:12AM

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Source URL: flux.aps.org

Language: English - Date: 2015-03-18 11:15:01
15Kinetic energy / Time-dependent density functional theory / Local-density approximation / Physics / Chemistry / Density functional theory

Max Planck Institute of Microstructure Physics Theory Department Electronic structure via potential functional approximations A. Cangi, C. Proetto

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Source URL: www2.mpi-halle.mpg.de

Language: English - Date: 2011-11-07 04:20:33
16Density functional theory / Theoretical chemistry / Quantum chemistry / Computational chemistry / Crystal / Hybrid functional / Time-dependent density functional theory / Axel D. Becke / Local-density approximation / Chemistry / Physics / Quantum mechanics

2009 APS March Meeting Pittsburgh, Pennsylvania http://www.aps.org/meetings/march/index.cfm Monday, March 16, 2009 8:00AM - 11:00AM

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Source URL: flux.aps.org

Language: English - Date: 2009-03-27 10:13:36
17Density functional theory / Fermi energy / Jellium / Free electron model / Identical particles / Fermi gas / Kinetic energy / Calculus of variations / Local-density approximation / Physics / Condensed matter physics / Fermi–Dirac statistics

PDF Document

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Source URL: media.wiley.com

Language: English - Date: 2013-08-25 10:13:58
18Density 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
19Quantum 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
20Quantum 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
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