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
For other archival photos click on image.

From left to right: Attila Cangi(grad chem), Allison Robinson(grad chem), Zhenfei Liu(grad chem), Zenghui Yang(grad chem), Peter Elliott(grad phys), Donghyung Lee(grad chem), Kieron Burke

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.


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

APS March Meeting Tutorial 1:Basics of Density Functional Theory, Static and Time-Dependent, March 9, 2008, New Orleans LA

APS March Meeting Session D1:Fundamental Developments in Density Functional Theory, March 10, 2008, New Orleans LA

Third Psi-k/Nanoquanta School + Workshop on Time-Dependent Density-Functional Theory: Prospects and Applications, August 31 to September 14, 2008, Benasque Center for Physics, Spain