James W Furness
Title
Cited by
Cited by
Year
An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors
JW Furness, Y Zhang, C Lane, IG Buda, B Barbiellini, RS Markiewicz, ...
Communications Physics 1 (1), 1-6, 2018
432018
Non-perturbative calculation of molecular magnetic properties within current-density functional theory
EI Tellgren, AM Teale, JW Furness, KK Lange, U Ekström, T Helgaker
The Journal of chemical physics 140 (3), 034101, 2014
322014
Antiferromagnetic ground state of : A parameter-free ab initio description
C Lane, JW Furness, IG Buda, Y Zhang, RS Markiewicz, B Barbiellini, ...
Physical Review B 98 (12), 125140, 2018
312018
Current density functional theory using meta-generalized gradient exchange-correlation functionals
JW Furness, J Verbeke, EI Tellgren, S Stopkowicz, U Ekström, ...
Journal of chemical theory and computation 11 (9), 4169-4181, 2015
292015
Enhancing the efficiency of density functionals with an improved iso-orbital indicator
JW Furness, J Sun
Physical Review B 99 (4), 041119, 2019
182019
Competing stripe and magnetic phases in the cuprates from first principles
Y Zhang, C Lane, JW Furness, B Barbiellini, JP Perdew, RS Markiewicz, ...
Proceedings of the National Academy of Sciences 117 (1), 68-72, 2020
142020
Electron localisation function in current-density-functional theory
JW Furness, U Ekström, T Helgaker, AM Teale
Molecular Physics 114 (7-8), 1415-1422, 2016
82016
First-principles calculation of spin and orbital contributions to magnetically ordered moments in
C Lane, Y Zhang, JW Furness, RS Markiewicz, B Barbiellini, J Sun, ...
Physical Review B 101 (15), 155110, 2020
42020
Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error
Y Zhang, JW Furness, B Xiao, J Sun
The Journal of Chemical Physics 150 (1), 014105, 2019
42019
Landscape of competing stripe and magnetic phases in cuprates
Y Zhang, C Lane, JW Furness, B Barbiellini, RS Markiewicz, A Bansil, ...
arXiv preprint arXiv:1809.08457, 2018
42018
Connections between variation principles at the interface of wave-function and density-functional theories
TJP Irons, JW Furness, MS Ryley, J Zemen, T Helgaker, AM Teale
The Journal of chemical physics 147 (13), 134107, 2017
32017
Symmetry-breaking polymorphous descriptions for correlated materials without interelectronic U
Y Zhang, J Furness, R Zhang, Z Wang, A Zunger, J Sun
Physical Review B 102 (4), 045112, 2020
22020
Ab intio description of the electronic structure of high-temperature cuprate superconductors: A Comparative Density Functional Study
K Pokharel, C Lane, JW Furness, R Zhang, J Ning, B Barbiellini, ...
arXiv preprint arXiv:2004.08047, 2020
12020
Tunable catalytic activity of cobalt-intercalated layered MnO2 for water oxidation through confinement and local ordering
J Ning, JW Furness, Y Zhang, AC Thenuwara, RC Remsing, ML Klein, ...
Journal of Catalysis 374, 143-149, 2019
12019
Density functional theory
J Sun, JW Furness, Y Zhang
Mathematical Physics in Theoretical Chemistry, 119-159, 2019
12019
Examining the order-of-limits problem and lattice constant performance of the Tao--Mo Functional
JW Furness, N Sengupta, J Ning, A Ruzsinszky, J Sun
arXiv preprint arXiv:2004.01773, 2020
2020
Characterizing Single-Molecule Magnets using Density Functional Theory
H Fitzhugh, J Furness, J Sun
Bulletin of the American Physical Society 65, 2020
2020
How accurate can a metaGGA+ vdW functional be simultaneously for chemisorption and physisorption of molecular adsorption on transition metal surfaces?
M Kothakonda, R Zhang, J Ning, J Furness, J Sun
Bulletin of the American Physical Society 65, 2020
2020
What can Density Functional Theory tell us about Pseudogaps?
R Markiewicz, Y Zhang, C Lane, J Furness, M Matzelle, B Barbiellini, ...
Bulletin of the American Physical Society 65, 2020
2020
The Importance of Smoothness with Exact Constraints in Functional Design
J Furness, A Kaplan, J Perdew, J Sun
Bulletin of the American Physical Society 65, 2020
2020
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Articles 1–20