<--- Back to Details
First PageDocument Content
Physics / Quantum mechanics / Mathematical analysis / Condensed matter physics / Computational chemistry / Crystal / Density functional theory / Electronic band structure / Wannier function / Degenerate energy levels / Wave function / Perturbation theory
Date: 2012-08-20 13:43:10
Physics
Quantum mechanics
Mathematical analysis
Condensed matter physics
Computational chemistry
Crystal
Density functional theory
Electronic band structure
Wannier function
Degenerate energy levels
Wave function
Perturbation theory

10 DFT-based Green Function Approach for Impurity Calculations Rudolf Zeller Institute for Advanced Simulation Forschungszentrum Julich GmbH

Add to Reading List

Source URL: www.cond-mat.de

Download Document from Source Website

File Size: 1,02 MB

Share Document on Facebook

Similar Documents

LONI Institute workshop on  Density Functional Theory Louisiana State University, Baton Rouge, LA, USA July 23-27, 2011

LONI Institute workshop on Density Functional Theory Louisiana State University, Baton Rouge, LA, USA July 23-27, 2011

DocID: 1vrCD - View Document

Electronic Structure Calculations and Density Functional Theory Rodolphe Vuilleumier Pˆ ole de chimie th´ eorique

Electronic Structure Calculations and Density Functional Theory Rodolphe Vuilleumier Pˆ ole de chimie th´ eorique

DocID: 1uMmI - View Document

5  The Gutzwiller Density Functional Theory ¨ Bunemann Jorg ¨

5 The Gutzwiller Density Functional Theory ¨ Bunemann Jorg ¨

DocID: 1slCQ - View Document

2  Density Functional Theory and Applications to Transition Metal Oxides David J. Singh Oak Ridge National Laboratory

2 Density Functional Theory and Applications to Transition Metal Oxides David J. Singh Oak Ridge National Laboratory

DocID: 1s135 - View Document

Chemistry / Nitroamines / Simple aromatic rings / Triazines / RDX / Explosive material / Explosives / HMX / Density functional theory / Tetrazole / Sensitivity

OPTIMIZATION OF DFT METHODS AND BASIS SETS TO INVESTIGATE THE DECOMPOSITION OF NOVEL HEDMS Lenora K. Harper, and Craig A. Bayse* Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia, 23529

DocID: 1rdcD - View Document