172 citations · 304 across the 6 of their papers we have counts for
9 papers
A paradigm system for strong correlation and charge transfer competition
James W Furness, Ruiqi Zhang, Jianwei Sun
In chemistry and condensed matter physics the solution of simple paradigm systems, such as the hydrogen atom and the uniform electron gas, plays a critical role in understanding el…
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
Sebastian Ehlert, Uwe Huniar, Jinliang Ning +5
We combine a regularized variant of the strongly constrained and appropriately normed semilocal density functional [J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 0…
Accurate and numerically efficient rSCAN meta-generalized gradient approximation
James W. Furness, Aaron D. Kaplan, Jinliang Ning +2
The recently proposed rSCAN functional [J. Chem. Phys. 150, 161101 (2019)] is a regularized form of the SCAN functional [Phys. Rev. Lett. 115, 036402 (2015)] that improves SCAN's n…
First-Principles Calculation of Spin and Orbital Contributions to Magnetically Ordered Moments in SrIrO
Christopher Lane, Yubo Zhang, James W. Furness +4
We show how an accurate first-principles treatment of the canted-antiferromagnetic ground state of SrIrO, a prototypical correlated spin-orbit coupled material, can be…
Examining the order-of-limits problem and lattice constant performance of the Tao--Mo Functional
James W Furness, Niladri Sengupta, Jinliang Ning +2
In their recent communication [Phys. Rev. Lett., 117, 073001 (2016)] Tao and Mo presented a semi-local density functional derived from the density matrix expansion of the exchange…
Symmetry-Breaking Polymorphous Descriptions for Complex Materials without Interelectronic U
Yubo Zhang, James Furnes, Ruiqi Zhang +3
Correlated materials with open-shell d- and f-ions having degenerate band edge states show a rich variety of interesting properties ranging from metal-insulator transition to uncon…