12k citations · 38.8k across the 86 of their papers we have counts for
87 papers
Is there a density-gradient expansion for the electronic exchange energy?
John P. Perdew, Timo Lebeda, Rohan Maniar +3
An old but recurring question in ground-state density functional theory, relevant to the construction of density functional approximations, is the existence of a second-order gradi…
Balanced and broadly-normed meta-generalized gradient approximation
Yanyong Wang, Chandra Shahi, John P. Perdew +1
Conventional semi-local density functional approximations for the exchange-correlation energy systematically underestimate fundamental band gaps. Advanced meta-generalized gradient…
Exactness of Symmetry-Broken Self-Interaction Correction in the Strongly-Correlated or Classical Limit: Harmonium as a Demonstration
Cody Woods, Yunzhi Li, Wenqing Yao +2
Strong electron correlation is an important challenge to both wavefunction and density functional theory. It has been argued that the Perdew-Zunger 1981 self-interaction correction…
Identifying strong correlation using only the Kohn-Sham density of one-electron states
Daniel D. Rivera, Gustavo M. Dalpian, John P. Perdew
Strongly correlated systems have long been a central and highly non-trivial topic in condensed matter physics. At the non-interacting level, strong correlation can be associated wi…
Rationalizing defect formation energies in metals and semiconductors with semilocal density functionals
Jorge Vega Bazantes, Timo Lebeda, Akilan Ramasamy +4
The study of defects in materials is of utmost importance for technological applications and the design of new materials. In this work, we analyze the performance of density functi…
Rotational Phonons Drive Low-Energy Kinks in Cuprate Superconductors
Yanyong Wang, Manuel Engel, Christopher Lane +9
Angle-resolved photoemission spectroscopy (ARPES) reveals ubiquitous quasiparticle ``kinks'' near 70 meV and 40 meV across cuprate superconductors, often accompanied by…