<--- Back to Details
First PageDocument Content
Chemistry / Physics / Quantum mechanics / Density functional theory / Quantum chemistry / Atomic physics / Computational chemistry / Theoretical chemistry / HartreeFock method / Jellium / KohnSham equations / Crystal
Date: 2013-09-03 08:41:19
Chemistry
Physics
Quantum mechanics
Density functional theory
Quantum chemistry
Atomic physics
Computational chemistry
Theoretical chemistry
HartreeFock method
Jellium
KohnSham equations
Crystal

Density Functional Theory for Emergents

Add to Reading List

Source URL: www.cond-mat.de

Download Document from Source Website

File Size: 541,28 KB

Share Document on Facebook

Similar Documents

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

DocID: 1uMmI - View Document

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

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