Kieron Burke

Kieron Burke received his B.A. degree from Trinity College, Dublin, Ireland, in 1985 and his Ph.D. from the University of California at Santa Barbara in 1989. He was a postdoctoral fellow at Rutgers, at Indiana University, and at Tulane University, before becoming a Professor at Rutgers-Camden in 1996. Kieron was a Professor in both the Chemistry and Chemical Biology and the Physics and Astronomy Departments at Rutgers from 1999, before moving to UC Irvine in 2006. He has won several awards for teaching and research, which include the IJQC Young Investigators Award for contributions to quantum chemistry and the Rutgers Board of Trustees Fellowship for scholarly excellence. He was appointed Professor of chemistry and of physics at UC Irvine since 2006. In 2007, he was elected American Physical Society fellow. His research group dedicated to spreading the use of density functional theory (DFT) throughout the known universe, but particularly in chemistry, physics, materials science, and nanoscience. This theory had such impact in chemistry that its originators were awarded the 1998 Nobel Prize. By making calculations much faster than with traditional ab initio methods, larger and more interesting systems can now be studied.

Biography Updated on 2 January 2008

Personal Home Page

http://www.chem.uci.edu/people/faculty/kieron/

Articles in Scholarly Journals [Incomplete List]

  1. Density functional calculations of nanoscale conductance
    Journal of Physics: Condensed Matter, vol. 20, no. 8, p. 083203, 2008
  2. Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
    Physical Review Letters, vol. 100, no. 13, 2008
  3. Time-Dependent Density Functional Calculation of e-H Scattering
    Physical Review Letters, vol. 99, no. 4, 2007
  4. Comment on “Analysis of Floquet formulation of time-dependent density-functional theory”[Chem. Phys. Lett. 433 (2006) 204]
    Chemical Physics Letters, vol. 441, no. 1-3, pp. 167–169, 2007
  5. A new challenge for time-dependent density functional theory
    Chemical Physics Letters, vol. 431, no. 4-6, pp. 410–414, 2006
  6. The quantum defect: The true measure of time-dependent density-functional results for atoms
    The Journal of Chemical Physics, vol. 124, no. 9, p. 094102, 2006
  7. Relevance of the Slowly Varying Electron Gas to Atoms, Molecules, and Solids
    Physical Review Letters, vol. 97, no. 22, 2006
  8. Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula
    Physical Review B, vol. 73, no. 12, 2006
  9. Publisher’s Note: Density Functional Theory of the Electrical Conductivity of Molecular Devices [Phys. Rev. Lett. 94, 146803 (2005)]
    Physical Review Letters, vol. 94, no. 15, 2005
  10. Time-dependent density functional theory: Past, present, and future
    The Journal of Chemical Physics, vol. 123, no. 6, p. 062206, 2005
  11. Self-Interaction Errors in Density-Functional Calculations of Electronic Transport
    Physical Review Letters, vol. 95, no. 14, 2005
  12. Effects of Extreme Magnetic Quadrupole Fields on Penning Traps and the Consequences for Antihydrogen Trapping
    Physical Review Letters, vol. 95, no. 15, 2005
  13. Rydberg Transition Frequencies from the Local Density Approximation
    Physical Review Letters, vol. 95, no. 16, 2005
  14. Coordinate scaling in time-dependent current-density-functional theory
    Physical Review A, vol. 72, no. 2, 2005
  15. Density Functional Theory of the Electrical Conductivity of Molecular Devices
    Physical Review Letters, vol. 94, no. 14, 2005
  16. Relations between coordinate and potential scaling in the high-density limit
    The Journal of Chemical Physics, vol. 122, no. 13, p. 134108, 2005
  17. Continuum states from time-dependent density functional theory
    The Journal of Chemical Physics, vol. 122, no. 14, p. 144103, 2005
  18. Describing static correlation in bond dissociation by Kohn–Sham density functional theory
    The Journal of Chemical Physics, vol. 122, no. 9, p. 094116, 2005
  19. Rules for minimal atomic multipole expansion of molecular fields
    The Journal of Chemical Physics, vol. 120, no. 3, p. 1153, 2004
  20. Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation
    The Journal of Chemical Physics, vol. 121, no. 1, p. 28, 2004
  21. Double excitations within time-dependent density functional theory linear response
    The Journal of Chemical Physics, vol. 120, no. 13, p. 5932, 2004
  22. A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene
    Chemical Physics Letters, vol. 389, no. 1-3, pp. 39–42, 2004
  23. Lack of Hohenberg-Kohn Theorem for Excited States
    Physical Review Letters, vol. 93, no. 17, 2004
  24. Density-functional theory in one dimension for contact-interacting fermions
    Physical Review A, vol. 70, no. 3, 2004
  25. Adiabatic connection for near degenerate excited states
    Physical Review A, vol. 69, no. 5, 2004
  26. Current-density functional theory of the response of solids
    Physical Review B, vol. 68, no. 4, 2003
  27. Design of a Grating-Based Thin-Film Filter for Broadband Spectropolarimetry
    Applied Optics, vol. 42, no. 31, p. 6321, 2003
  28. Accurate adiabatic connection curve beyond the physical interaction strength
    The Journal of Chemical Physics, vol. 119, no. 2, p. 696, 2003
  29. Testing the kinetic energy functional: Kinetic energy density as a density functional
    The Journal of Chemical Physics, vol. 118, no. 18, p. 8140, 2003
  30. Correlation in time-dependent density-functional theory
    The Journal of Chemical Physics, vol. 117, no. 1, p. 72, 2002
  31. The Journal of Physical Chemistry A, vol. 106, no. 40, pp. 9294–9305, 2002
  32. On the Floquet formulation of time-dependent density functional theory
    Chemical Physics Letters, vol. 359, no. 3-4, pp. 237–240, 2002
  33. Memory in Time-Dependent Density Functional Theory
    Physical Review Letters, vol. 89, no. 2, 2002
  34. Demonstration of initial-state dependence in time-dependent density-functional theory
    Physical Review A, vol. 63, no. 4, 2001
  35. Can optimized effective potentials be determined uniquely?
    The Journal of Chemical Physics, vol. 115, no. 4, p. 1635, 2001
  36. Symmetry and degeneracy in density functional theory
    International Journal of Quantum Chemistry, vol. 85, no. 4-5, pp. 432–435, 2001
  37. Excitation energies from time-dependent density functional theory using exact and approximate potentials
    International Journal of Quantum Chemistry, vol. 80, no. 4-5, pp. 534–554, 2000
  38. Total energy density as an interpretative tool
    The Journal of Chemical Physics, vol. 113, no. 8, p. 2990, 2000
  39. Adiabatic connection from accurate wave-function calculations
    The Journal of Chemical Physics, vol. 112, no. 12, p. 5292, 2000
  40. Several Theorems in Time-Dependent Density Functional Theory
    Physical Review Letters, vol. 82, no. 2, pp. 378–381, 1999
  41. Exact high-density limit of correlation potential for two-electron density
    The Journal of Chemical Physics, vol. 110, no. 21, p. 10262, 1999
  42. Unambiguous exchange-correlation energy density
    The Journal of Chemical Physics, vol. 109, no. 19, p. 8161, 1998
  43. Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences
    The Journal of Chemical Physics, vol. 108, no. 4, p. 1522, 1998
  44. Unambiguous exchange-correlation energy density for Hooke's atom
    International Journal of Quantum Chemistry, vol. 70, no. 4-5, pp. 583–589, 1998
  45. The Journal of Physical Chemistry A, vol. 102, no. 25, pp. 4911–4917, 1998
  46. Virial exchange-correlation energy density in Hooke's atom
    International Journal of Quantum Chemistry, vol. 69, no. 4, pp. 533–540, 1998
  47. Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging
    The Journal of Chemical Physics, vol. 109, no. 10, p. 3760, 1998
  48. Distributions and averages of electron density parameters: Explaining the effects of gradient corrections
    The Journal of Chemical Physics, vol. 106, no. 24, p. 10184, 1997
  49. Coupling-constant dependence of atomization energies
    International Journal of Quantum Chemistry, vol. 64, no. 3, pp. 285–295, 1997
  50. Density-gradient analysis for density functional theory: Application to atoms
    International Journal of Quantum Chemistry, vol. 61, no. 5, pp. 835–845, 1997
  51. The adiabatic connection method: a non-empirical hybrid
    Chemical Physics Letters, vol. 265, no. 1-2, pp. 115–120, 1997
  52. On-top pair-density interpretation of spin density functional theory, with applications to magnetism
    International Journal of Quantum Chemistry, vol. 61, no. 2, pp. 197–205, 1997
  53. Why the generalized gradient approximation works and how to go beyond it
    International Journal of Quantum Chemistry, vol. 61, no. 2, pp. 287–293, 1997
  54. Generalized gradient approximation for the exchange-correlation hole of a many-electron system
    Physical Review B, vol. 54, no. 23, pp. 16533–16539, 1996
  55. Long-range asymptotic behavior of ground-state wave functions, one-matrices, and pair densities
    The Journal of Chemical Physics, vol. 105, no. 7, p. 2798, 1996
  56. Rationale for mixing exact exchange with density functional approximations
    The Journal of Chemical Physics, vol. 105, no. 22, p. 9982, 1996
  57. Comparison shopping for a gradient-corrected density functional
    International Journal of Quantum Chemistry, vol. 57, no. 3, pp. 309–319, 1996
  58. Improving energies by using exact electron densities
    Physical Review A, vol. 53, no. 5, pp. R2915–R2917, 1996
  59. Generalized Gradient Approximation Made Simple
    Physical Review Letters, vol. 77, no. 18, pp. 3865–3868, 1996
  60. Validity of the extended electron-electron cusp condition
    Physical Review A, vol. 50, no. 1, pp. 297–304, 1994
  61. Is the Local Density Approximation Exact for Short Wavelength Fluctuations?
    Physical Review Letters, vol. 73, no. 9, pp. 1283–1286, 1994
  62. Limitations of the Trajectory Approximation in Atom-Surface Scattering
    Physical Review Letters, vol. 73, no. 20, pp. 2768–2771, 1994
  63. Vibrational dephasing at surfaces: The role of cubic anharmonicity and Fermi resonances
    Physical Review B, vol. 47, no. 23, pp. 15869–15889, 1993
  64. Nearly elastic scattering and the trajectory approximation
    Physical Review B, vol. 47, no. 19, pp. 12852–12864, 1993
  65. Exploration of surfaces by atomic scattering in the almost classical regime
    Surface Science, vol. 241, no. 1-2, pp. 211–224, 1991