<--- Back to Details
First PageDocument Content
Science / Philosophy of science / Density functional theory / Crystal / Local-density approximation
Date: 2010-03-10 09:09:45
Science
Philosophy of science
Density functional theory
Crystal
Local-density approximation

Add to Reading List

Source URL: www.minsocam.org

Download Document from Source Website

File Size: 3,90 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

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