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Density functional theory
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11	4 The LDA+U Approach: A Simple Hubbard Correction for Correlated Ground States Matteo Cococcioni Dept. of Chemical Engineering and Materials Science Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2012-08-20 13:43:11 Chemistry Physics Quantum mechanics Quantum chemistry Atomic physics Chemical bonding Density functional theory Condensed matter physics Crystal Hybrid functional Electronic correlation Electronic band structure
12	Nonparametric spectral analysis with applications to seizure characterization using EEG time series Add to Reading List Source URL: arxiv.org Language: English - Date: 2009-01-27 11:29:59 Statistics Regression analysis Estimation theory Functional analysis Signal processing Smoothing spline Connection Variance function Spectrum Spectral density estimation Confidence interval
13	Development of the LDA+DMFT Approach Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2014-09-03 06:19:50 Physics 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
14	Projectors, Hubbard U, Charge Self-Consistency, and Double-Counting Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2014-09-03 06:19:54 Physics Chemistry Condensed matter physics Quantum chemistry Materials science Quantum mechanics Atomic physics Dynamical mean-field theory Electronic band structure Density functional theory Hubbard model Crystal
15	One step model of photoemission Ján Minár Ludwig-Maximilians-Universität München, Germany and University of West Bohemia, Pilsen New Technologies - Research Center Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2014-09-19 11:40:29 Chemistry Physics Condensed matter physics Nature Emission spectroscopy Materials science Spectroscopy X-ray photoelectron spectroscopy Photoemission spectroscopy Angle-resolved photoemission spectroscopy Electronic band structure Density functional theory
16	Theory 2.5 Director: Walter Thiel (born 1949) Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:49:05 Chemistry Theoretical chemistry Computational chemistry Post-HartreeFock methods Molecular modelling Ab initio quantum chemistry methods Max Planck Institute for Coal Research Semi-empirical quantum chemistry method Coupled cluster Molecular dynamics Quantum chemistry Density functional theory
17	-Z2-3 PII : S0305 J . P h y s .A : M a t h . C e n . 3 fP r i n t e di n t h e U K Add to Reading List Source URL: www.phys.tue.nl Language: English - Date: 2010-01-09 07:17:37 Quantum mechanics Mathematical analysis Algebra Mathematics Operator theory Linear algebra Functional analysis Quantum measurement POVM Density matrix Mathematical formulation of quantum mechanics Hilbert space
18	Ab initio path integral molecular dynamics: Basic ideas Dominik Marx and Michele Parrinello Max-Planck-Institut fu¨r Festko¨perforschung, Heisenbergstr. 1, 70569 Stuttgart, Germany ~Received 12 October 1995; accepted 6 Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2001-11-05 09:00:44 Physics Chemistry Theoretical chemistry Computational chemistry Molecular modelling Quantum chemistry CarParrinello molecular dynamics Density functional theory Molecular dynamics BornOppenheimer approximation Path integral formulation Fractional quantum mechanics
19	THE JOURNAL OF CHEMICAL PHYSICS 122, 144101 共2005兲 Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: A new route via implicit differentiation Nikos L. Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2006-03-03 05:47:41 Chemistry Nature Quantum chemistry Chemical bonding Computational chemistry Theoretical chemistry Atomic orbital Molecular orbital
20	Theory and Practice of Density-Functional Theory Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2014-05-26 12:52:52 Density functional theory Condensed matter physics Computational chemistry Atomic physics Quantum chemistry Jellium Electron Free electron model HartreeFock method Dirac equation Orbital-free density functional theory Strictly-Correlated-Electrons density functional theory