'Slater determinants' presentation slideshows

Structure of exotic nuclei

1.5k views • 134 slides

William A. Goddard, III, wag@kaist.ac.kr

Lecture 6, September 17, 2009. Nature of the Chemical Bond with applications to catalysis, materials science, nanotechnology, surface science, bioinorganic chemistry, and energy. Course number: KAIST EEWS 80.502 Room E11-101 Hours: 0900-1030 Tuesday and Thursday.

534 views • 53 slides

Evidences for clustering

567 views • 42 slides

Molecular Modeling: Semi-Empirical Methods

Molecular Modeling: Semi-Empirical Methods. C372 Introduction to Cheminformatics II Kelsey Forsythe. Recall. Huckel Theory. Assumptions Atomic basis set - parallel 2p orbitals No overlap between orbitals,

620 views • 34 slides

Post Hartree-Fock Methods (Lecture 2)

Post Hartree-Fock Methods (Lecture 2). NSF Computational Nanotechnology and Molecular Engineering Pan-American Advanced Studies Institutes (PASI) Workshop January 5-16, 2004. California Institute of Technology, Pasadena, CA. Andrew S. Ichimura. Outline. Shortcomings of the SCF-RHF procedure

779 views • 29 slides

Mean-Field Description of Heavy Neutron-Rich Nuclei

344 views • 24 slides

Electron Correlation Methods

853 views • 21 slides

Multiscale Materials Modeling

Multiscale Materials Modeling. Scott Dunham Professor, Electrical Engineering Adjunct Professor, Materials Science & Engineering Adjunct Professor, Physics University of Washington. Outline. Structure Density Functional Theory (DFT) Molecular Dynamics (MD) Kinetic Monte Carlo (kMC)

581 views • 21 slides

Introduction to the very basic computational aspects of the modern Quantum Chemistry for Software Engineers

Introduction to the very basic computational aspects of the modern Quantum Chemistry for Software Engineers. Alexander A. Granovsky The PC GAMESS/Firefly Project. July 23, 2009 MSU, Moscow, Russia. Outline. Quantum Chemistry: purpose and methods

398 views • 17 slides