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|---|---|---|
 Date: 2012-05-09 14:16:04Theoretical chemistry Computational chemistry Atomic physics Hartree–Fock method Density functional theory Variational method Born–Oppenheimer approximation Electron Crystal Chemistry Physics Quantum chemistry |
| LONI Institute workshop on Density Functional Theory Louisiana State University, Baton Rouge, LA, USA July 23-27, 2011DocID: 1vrCD - View Document |
| Electronic Structure Calculations and Density Functional Theory Rodolphe Vuilleumier Pˆ ole de chimie th´ eoriqueDocID: 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 LaboratoryDocID: 1s135 - View Document |
| 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, 23529DocID: 1rdcD - View Document |