Main

Fields of interest:

• DFT methods

Recent publications (selected):

S. Kurth, J. P. Perdew:
DRole of the Exchange-Correlation Energy: Nature's Glue
International Journal of Quantum Chemistry, Vol. 77, 814 (2000)

Z. Yan, J. P. Perdew, S. Kurth, C. Fiolhais, L. Almeida:
Density Functional versus Wavefunction Methods: Toward a Benchmark for the Jellium Surface Energy
Physical Review B, Vol. 61, 2595 (2000)

J.P. Perdew:
The Functional Zoo
Density Functional Theory: A Bridge Between Chemistry and Physics, edited by P. Geerlings, F. DeProft, and W.
Langenaeker, Vrije Universiteit Brussel Press (1999)

M. Seidl, J.P. Perdew, M. Levy:
Strictly Correlated Electrons in Density Functional Theory
Physical Review A 59, 51 (1999)

J.P. Perdew:
Generalized Gradient Approximation and Beyond-GGA Pseudopotentials: Optimum Compromise Between Simplicity and Accuracy in Complex Systems?
Condensed Matter Theories 13, edited by J. da Providencia and M. Brajczewska (Nova, NY,1999)

A. Zupan, P. Blaha, K. Schwarz, J.P. Perdew:
Pressure-Induced Phase Transitions in Solid Si, SiO2, and Fe: Performance of LSD and GGA Density Functionals
Physical Review B 58, 11266 (1998)

M. Ernzerhof, J.P. Perdew:
Generalized Gradient Approximation to the Angle - and System-Averaged Exchange Hole
Journal of Chemical Physics 109, 3313 (1998)

P. Ziesche, S. Kurth, J.P. Perdew:
Density Functionals from LDA to GGA
Computational Materials Science 11, 122 (1998)