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Physical Chemistry and Chemical Physics/Polymer/Materials/Nanoscience/Theoretical and Computational

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[162] The Hubbard Dimer: A density functional case study of a many-body problem D. Carrascal, J. Ferrer, J. C. Smith, K. Burke, submitted and ArXiv:1502.02194 (2015). Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals Kevin Vu, John Snyder, Li Li, Matthias Rupp, Brandon F. Chen, Tarek Khelif, Klaus-Robert Müller, Kieron Burke, submitted and ArXiv:1501.03854 (2015). Communication: Testing and using the Lewin-Lieb bounds in density functional theory David V. Feinblum, John Kenison, Kieron Burke, The Journal of Chemical Physics 141, (2014). Corrections to Thomas-Fermi Densities at Turning Points and Beyond Raphael F. Ribeiro, Donghyung Lee, Attila Cangi, Peter Elliott, Kieron Burke, Phys. Rev. Lett. 114, 050401 (2015). Atomic correlation energies and the generalized gradient approximation Kieron Burke, Antonio Cancio, Tim Gould, Stefano Pittalis, submitted and ArXiv:1409.4834 (2014). Almost Exact Exchange At Almost No Cost Peter Elliot, Attila Cangi, Stefano Pittalis, E.K.U. Gross, Kieron Burke, submitted and ArXiv:1408.2434 (2014). Quantum critical benchmark for electronic structure theory Paul E. Grabowski, Kieron Burke, Phys. Rev. A 91, 032501 (2015). DFT: A Theory Full of Holes? Aurora Pribram-Jones, David A. Gross, Kieron Burke, Annual Review of Physical Chemistry (2014). Kohn-Sham calculations with the exact functional Lucas O. Wagner, Thomas E. Baker, E. M. Stoudenmire, Kieron Burke, Steven R. White, Phys. Rev. B 90, 045109 (2014). Understanding the Physics in Machine-learned Density Functionals Li Li, John C. Snyder, Isabelle M. Pelaschier, Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert Müller, Kieron Burke, submitted and ArXiv:1404.1333 (2014). Gedanken densities and exact constraints in density functional theory John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun, Kieron Burke, The Journal of Chemical Physics 140, (2014). Excitations and benchmark ensemble density functional theory for two electrons Aurora Pribram-Jones, Zeng-hui Yang, John R. Trail, Kieron Burke, Richard J. Needs, Carsten A. Ullrich, The Journal of Chemical Physics 140, (2014). Exact and approximate Kohn-Sham potentials in ensemble density-functional theory Zeng-hui Yang, John R. Trail, Aurora Pribram-Jones, Kieron Burke, Richard J. Needs, Carsten A. Ullrich, Phys. Rev. A 90, 042501 (2014). Ions in solution: Density corrected density functional theory (DC-DFT) Min-Cheol Kim, Eunji Sim, Kieron Burke, The Journal of Chemical Physics 140, 18A528 (2014). Thermal Density Functional Theory in Context Aurora Pribram-Jones, Stefano Pittalis, E.K.U. Gross, Kieron Burke, Frontiers and Challenges in Warm Dense Matter, edited by F. Graziani, et al. (Springer) (2013). Nonexistence of a Taylor expansion in time due to cusps Zeng-hui Yang, Kieron Burke, Phys. Rev. A 88, 042514 (2013). Potential functionals versus density functionals Attila Cangi, E. K. U. Gross, Kieron Burke, Phys. Rev. A 88, 062505 (2013). Comment on "Application of partition density-functional theory to one-dimensional models" Peter Elliott, Daniel Jensen, Adam Wasserman, Kieron Burke, Phys. Rev. A 89, 026501 (2014). Orbital-free Bond Breaking via Machine Learning John C. Snyder, Matthias Rupp, Katja Hansen, Leo Blooston, Klaus-Robert Müller, Kieron Burke, J. Chem. Phys. 139, 224104 (2013). Guaranteed Convergence of the Kohn-Sham Equations Lucas O. Wagner, E. M. Stoudenmire, Kieron Burke, Steven R. White, Phys. Rev. Lett. 111, 093003 (2013). Kernels, Pre-Images and Optimization John Snyder, Sebastian Mika, Kieron Burke, Klaus-Robert Müller, Chapter in Empirical Inference - Festschrift in Honor of Vladimir N. Vapnik (2013).

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