'Slater determinant' presentation slideshows

Configuration Interaction in Quantum Chemistry

Configuration Interaction in Quantum Chemistry. Jun-ya HASEGAWA Fukui Institute for Fundamental Chemistry Kyoto University. Prof. M. Kotani (1906-1993). Contents. Molecular Orbital (MO) Theory Electron Correlations Configuration Interaction (CI) & Coupled-Cluster (CC) methods

1.44k views • 48 slides

Ch.1. Elementary Quantum Chemistry

Ch.1. Elementary Quantum Chemistry. References (on-line) A brief review of elementary quantum chemistry http://zopyros.ccqc.uga.edu/lec_top/quantrev.bak Wikipedia ( http://en.wikipedia.org ) Search for Schrodinger equation, etc.

704 views • 31 slides

Computational Physics (Lecture 11)

397 views • 26 slides

Multiply Charged Ions

322 views • 20 slides

The basics of quantum Monte Carlo

The basics of quantum Monte Carlo. Lucas K. Wagner Computational Nanosciences Group University of California, Berkeley In collaboration with Jeffrey C. Grossman. Introduction. Introduction. The quantum many-body problem. Fundamental object in quantum mechanics:

435 views • 18 slides

Jack Simons Henry Eyring Scientist and Professor Chemistry Department University of Utah

254 views • 17 slides

The Hartree-Fock-Roothaan Method

The Hartree-Fock-Roothaan Method. Variational Principle. Energy of a Slater Determinant . Where: And the Hamiltonian operator is given by:. First of all, it is useful to note that the Hamiltonian is a sum of three terms:. not depend on any electronic coordinates .

600 views • 16 slides