Laura H. Carnell Professor of Physics and Chemistry
Philadelphia Area Density Functional Theory Day
Saturday, Sept. 16 2017
Organized by Eric Stachura and Joshua Schrier
This is a one day workshop, aimed at advanced undergraduate students and young graduate students (and interested faculty) in the Philadelphia area, which will focus on fundamental aspects of Density Functional Theory (DFT). The intended audience will include students in mathematics, physics, chemistry, and materials science.
All events take place in Chase Auditorium unless otherwise noted.
Welcome and opening remarks
What is density functional theory? What is the exchange-correlation energy, and how should we approximate it?
John Perdew, Temple University
Understanding TD-DFT: What You Get and What You Don't Get
Joe Subotnik, University of Pennsylvania
11:30 a.m.-12:20 p.m.
Approximations and extensions that make DFT an accurate and flexible tool for materials design
Andrew Rappe, University of Pennsylvania
The Runge-Gross Theorem and a Schrodinger equation in TDDFT
Eric Stachura, Haverford College
Some aspects of the numerical solution of the Kohn Sham equation
Rob Manning, Haverford College
The Adiabatic Connection: Applying the Hellman-Feynman theorem in DFT
Jefferson Bates, Appalachian State
Exact factorization of the electron-nuclear wavefunction: Properties, approximations, and applications
Graeme Gossel, Hunter College