Tutorial #1

Basics of Density Functional Theory: Static and Time-Dependent

Pre-registration only — no on-site registration for tutorials

Sunday, March 9
8:30 a.m. - 12:30 p.m.
La Galerie 6
New Orleans Marriott Hotel
555 Canal Street

Who Should Attend
Principal investigators in academia, program managers, students, postdocs, and other scientists who are running electronic structure calculations or are otherwise interested in learning about basic principles of density functional theory.

Tutorial Description
Ground-state density functional theory (DFT) has become the most popular method for electronic structure calculations in many branches of computational science, from quantum chemistry to materials science. Time-dependent DFT (TDDFT) has recently evolved into a complementary method for finding electronic excitations. This tutorial is designed for anyone either running DFT calculations or developing the theory. It is a short course on the basics of the theory. It does not teach how to run any specific code. The four tutorials are all by experts in the fields of DFT and TDDFT, but who are also well-known for their pedagogical articles and presentations. The individual talks will be tightly coordinated to make a coherent whole, and will be accessible to beginning graduate students. The talks will cover about equal amounts of ground-state DFT (Perdew and Burke) and TDDFT (Ullrich and Maitra).

Topics
Basic principles of DFT
Functional design and construction
Failures and success of different functionals
New aspects in TDDFT
Promises and challenges of TDDFT

Organizer
Kieron Burke, University of California, Irvine

Instructors
John Perdew, Tulane University
Kieron Burke, University of California, Irvine
Neepa Maitra, Hunter College of the City University of New York
Carsten Ullrich, University of Missouri, Columbia