Local-density approximation

Results: 24



#Item
1Physics / Chemistry / Condensed matter physics / Density functional theory / Quantum chemistry / Quasiparticles / Electron / Free electron model / Phonon / BornOppenheimer approximation / KohnSham equations / Local-density approximation

Density Functional Perturbation Theory and Electron Phonon Coupling

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Source URL: www.cond-mat.de

Language: English - Date: 2013-09-03 06:05:13
2Physics / Chemistry / Condensed matter physics / Quantum mechanics / Materials science / Density functional theory / Statistical mechanics / Dynamical mean-field theory / Strongly correlated material / Local-density approximation / Correlation function / Renormalization

Development of the LDA+DMFT Approach

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Source URL: www.cond-mat.de

Language: English - Date: 2014-09-03 06:19:50
3Density functional theory / Computational chemistry / Quantum chemistry / Theoretical chemistry / Atomic physics / Hybrid functional / Local-density approximation / Crystal / HartreeFock method / Electronic band structure / Electronic correlation / Jellium

Electronic Structure of Perovskites: Lessons from Hybrid Functionals

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Source URL: www.cond-mat.de

Language: English - Date: 2015-09-07 08:29:39
4Chemistry / Density functional theory / Local-density approximation / Crystal / Quantum Monte Carlo

Acceptance of the Dana Medal of the Mineralogical Society of America for 2009

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Source URL: www.minsocam.org

Language: English - Date: 2010-03-10 09:09:45
5Local-density approximation / Hybrid functional / Jellium / Kohn–Sham equations / Density functional theory / Physics / Chemistry

DFT in depth the exchange-correlation term Robin HIRSCHL ¨ Materialphysik Institut fur and Center for Computational Material Science

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Source URL: cms.mpi.univie.ac.at

Language: English - Date: 2003-03-18 08:13:34
6Quantum mechanics / Condensed matter physics / Computational chemistry / Theoretical chemistry / Crystal / Electronic band structure / Hybrid functional / Local-density approximation / Axel D. Becke / Physics / Chemistry / Density functional theory

APS March Meeting 2014 Denver, Colorado http://www.aps.org/meetings/march/index.cfm Monday, March 3, 2014 8:00AM - 11:00AM

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Source URL: flux.aps.org

Language: English - Date: 2014-03-27 14:32:14
7Chemistry / Atomic physics / Kohn–Sham equations / Calculus of variations / Local-density approximation / Wave function / Thomas–Fermi model / Computational chemistry / Theoretical chemistry / Physics / Density functional theory / Quantum mechanics

FOUNDATIONS OF DENSITY-FUNCTIONAL THEORY J. Hafner ¨ Materialphysik and Center for Computational Material Institut fur

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Source URL: cms.mpi.univie.ac.at

Language: English - Date: 2003-03-27 07:20:28
8Chemistry / Matter / Physics / Carbides / Tantalum carbide / Local-density approximation

Basics PAW Hybrids NewDF Optimization HF-PAW VASP Workshop: Day 1 Martijn Marsman Computational Materials Physics, University Vienna, and Center for Computational Materials Science

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Source URL: cms.mpi.univie.ac.at

Language: English - Date: 2011-11-16 10:53:38
9Quantum mechanics / Condensed matter physics / Electronic band structure / Crystal / Hybrid functional / Free electron model / Local-density approximation / Quantum chemistry / Electron / Physics / Density functional theory / Chemistry

The Theoretical Toolbox to Describe the Electronic Structure of Surfaces Patrick Rinke Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6, DBerlin

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Source URL: w0.rz-berlin.mpg.de

Language: English - Date: 2012-04-17 07:33:44
10Hybrid functional / Local-density approximation / Science / Density functional theory / Crystal / Electronic band structure

PHYSICAL REVIEW LETTERS PRL 102, week ending 5 JUNE 2009

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Source URL: publik.tuwien.ac.at

Language: English - Date: 2009-06-03 11:16:35
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