School of Physical Sciences
University of California
2145 Natural Sciences II
Irvine, CA 92697

Welcome to our group website

Click here to visit the umbrella website of the UCI Electronic Structure Group.

Group picture
Group picture
For other archival photos click on image.

From left to right: Zhenfei Liu(grad), Attila Cangi(grad), John Synder(grad), Kieron Burke(prof), Zenghui Yang(grad), Lucas Wagnar(grad), Aurora Pribram-Jones(grad), Peter Elliott(grad), Donghyung Lee(grad)

We are a useless bunch of theoretical chemists and physicists devoted to applying Density Functional Theory(DFT) whenever we see more than one particle, i.e. pretty much every aspect of the universe. Guided(=abused, cajoled, bribed) by Prof. Kieron Burke at UCI, our current research interests include:

  • Intense laser fields
  • Semiclassical treatment of electrons
  • Transport through single molecules
  • Scattering theory
  • Resonances
  • Atoms in molecules

etc., with applications in

  • Quantum chemistry
  • Nanoscience
  • Attosecond science
  • Condensed-matter physics
  • Atomic physics

PBEsol XC functional

PBEsol is intended to improve on PBE for equilibrium properties such as bond lengths and lattice parameters, but typically is worse for dissociation or cohesive energies.

Special paper by John Perdew in the special issue of JCTC for John Perdew:

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the perplexed


Picture of the DFT sessions during 2008 APS March meetingPicture of the DFT sessions during 2008 APS March meeting

Pictures of the DFT sessions during the 2008 APS march meeting


Recent conferences organized or coming

KITP program: Excitations in Condensed Matter: From Basic Concepts to Real Materials, October-December 2009, Santa Barbara

International Workshop "Frontiers in Density Functional Theory", Montauk September 2009