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Aschebrock, Thilo, Armiento, Rickard, Kümmel, Stephan (2017) Orbital nodal surfaces: Topological challenges for density functionals. Physical Review B, 95 (24) doi:10.1103/physrevb.95.245118

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Reference TypeJournal (article/letter/editorial)
TitleOrbital nodal surfaces: Topological challenges for density functionals
JournalPhysical Review B
AuthorsAschebrock, ThiloAuthor
Armiento, RickardAuthor
Kümmel, StephanAuthor
Year2017 (June 15)Volume95
Issue24
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.95.245118Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14246764Long-form Identifiermindat:1:5:14246764:2
GUID0
Full ReferenceAschebrock, Thilo, Armiento, Rickard, Kümmel, Stephan (2017) Orbital nodal surfaces: Topological challenges for density functionals. Physical Review B, 95 (24) doi:10.1103/physrevb.95.245118
Plain TextAschebrock, Thilo, Armiento, Rickard, Kümmel, Stephan (2017) Orbital nodal surfaces: Topological challenges for density functionals. Physical Review B, 95 (24) doi:10.1103/physrevb.95.245118
In(2017, June) Physical Review B Vol. 95 (24) American Physical Society (APS)

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Aschebrock, Thilo, Armiento, Rickard, Kümmel, Stephan (2017) Challenges for semilocal density functionals with asymptotically nonvanishing potentials. Physical Review B, 96 (7) doi:10.1103/physrevb.96.075140
Hao, Feng, Armiento, Rickard, Mattsson, Ann E. (2010) Subsystem functionals and the missing ingredient of confinement physics in density functionals. Physical Review B, 82 (11) doi:10.1103/physrevb.82.115103
Makmal, Adi, Armiento, Rickard, Engel, Eberhard, Kronik, Leeor, Kümmel, Stephan (2009) Examining the role of pseudopotentials in exact-exchange-based Kohn-Sham gaps. Physical Review B, 80 (16) doi:10.1103/physrevb.80.161204
Tao, Jianmin, Perdew, John P., Almeida, Luís Miguel, Fiolhais, Carlos, Kümmel, Stephan (2008) Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response. Physical Review B, 77 (24) doi:10.1103/physrevb.77.245107
Vlček, Vojtěch, Steinle-Neumann, Gerd, Leppert, Linn, Armiento, Rickard, Kümmel, Stephan (2015) Improved ground-state electronic structure and optical dielectric constants with a semilocal exchange functional. Physical Review B, 91 (3) doi:10.1103/physrevb.91.035107
Kümmel, Stephan, Perdew, John P. (2003) Optimized effective potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential. Physical Review B, 68 (3) doi:10.1103/physrevb.68.035103
Lebeda, Timo, Aschebrock, Thilo, Kümmel, Stephan (2024) Balancing the Contributions to the Gradient Expansion: Accurate Binding and Band Gaps with a Nonempirical Meta-GGA. Physical Review Letters, 133 (13). doi:10.1103/physrevlett.133.136402
Mattsson, Ann E., Armiento, Rickard (2009) Implementing and testing the AM05 spin density functional. Physical Review B, 79 (15) doi:10.1103/physrevb.79.155101
Tao, Jianmin, Perdew, John P., Almeida, Luis Miguel, Fiolhais, Carlos, Kümmel, Stephan (2008) Erratum: Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response [Phys. Rev. B77, 245107 (2008)]. Physical Review B, 78 (23) doi:10.1103/physrevb.78.239906
Garhammer, Julian, Hofmann, Fabian, Armiento, Rickard, Kümmel, Stephan (2018) On the challenge to improve the density response with unusual gradient approximations. The European Physical Journal B, 91 (7). doi:10.1140/epjb/e2018-90119-4
Karolewski, Andreas, Armiento, Rickard, Kümmel, Stephan (2013) Electronic excitations and the Becke-Johnson potential: The need for and the problem of transforming model potentials to functional derivatives. Physical Review A, 88 (5). doi:10.1103/physreva.88.052519
 
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