First Page | Document Content | |
---|---|---|
![]() Date: 2013-10-06 18:37:21Quantum mechanics Computational chemistry Theoretical chemistry Atomic physics Hartree–Fock method Density functional theory Slater determinant Schrödinger equation Propagator Physics Chemistry Quantum chemistry | Add to Reading List |
![]() | 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 |