<--- Back to Details
First PageDocument Content
Computational physics / Quantum chemistry / Theoretical chemistry / Density functional theory / Time-dependent density functional theory / Hartree–Fock method / Matrix / Chemistry / Physics / Computational chemistry
Date: 2011-09-01 06:04:46
Computational physics
Quantum chemistry
Theoretical chemistry
Density functional theory
Time-dependent density functional theory
Hartree–Fock method
Matrix
Chemistry
Physics
Computational chemistry

Add to Reading List

Source URL: yangtze.hku.hk

Download Document from Source Website

File Size: 122,49 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