Eli Kraisler - Publications

Affiliations: 
Physics Tel Aviv University, Tel Aviv-Yafo, Tel Aviv District, Israel 

20 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2025 Rahat NE, Kraisler E. Plateaus in the Potentials of Density-Functional Theory: Analytical Derivation and Useful Approximations. Journal of Chemical Theory and Computation. PMID 40146966 DOI: 10.1021/acs.jctc.4c01771  0.6
2025 Hayman A, Levy N, Goshen Y, Fraenkel M, Kraisler E, Stein T. Spin migration in density functional theory: Energy, potential, and density perspectives. The Journal of Chemical Physics. 162. PMID 40094232 DOI: 10.1063/5.0241200  0.528
2024 Kraisler E. How the Piecewise-Linearity Requirement for the Density Affects Quantities in the Kohn-Sham System. Journal of Chemical Theory and Computation. PMID 39680138 DOI: 10.1021/acs.jctc.4c01152  0.531
2024 Goshen Y, Kraisler E. Ensemble Ground State of a Many-Electron System with Fractional Electron Number and Spin: Piecewise-Linearity and Flat-Plane Condition Generalized. The Journal of Physical Chemistry Letters. 2337-2343. PMID 38386920 DOI: 10.1021/acs.jpclett.3c03509  0.444
2023 Lavie S, Goshen Y, Kraisler E. Ionization potentials and fundamental gaps in atomic systems from the Ensemble-DFT approach. The Journal of Chemical Physics. 158. PMID 37094014 DOI: 10.1063/5.0142670  0.642
2021 Kocák J, Kraisler E, Schild A. Charge-Transfer Steps in Density Functional Theory from the Perspective of the Exact Electron Factorization. The Journal of Physical Chemistry Letters. 3204-3209. PMID 33761257 DOI: 10.1021/acs.jpclett.1c00467  0.522
2021 Kraisler E, Hodgson MJP, Gross EKU. From Kohn-Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential. Journal of Chemical Theory and Computation. PMID 33595312 DOI: 10.1021/acs.jctc.0c01093  0.584
2020 Kraisler E. Asymptotic Behavior of the Exchange‐Correlation Energy Density and the Kohn‐Sham Potential in Density Functional Theory: Exact Results and Strategy for Approximations Israel Journal of Chemistry. DOI: 10.1002/Ijch.201900103  0.652
2019 Gould T, Pittalis S, Toulouse J, Kraisler E, Kronik L. Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 31490521 DOI: 10.1039/C9Cp03633D  0.733
2017 Hodgson MJP, Kraisler E, Schild A, Gross EKU. How Interatomic Steps in the Exact Kohn-Sham Potential Relate to Derivative Discontinuities of the Energy. The Journal of Physical Chemistry Letters. 8: 5974-5980. PMID 29179553 DOI: 10.1021/Acs.Jpclett.7B02615  0.6
2015 Kraisler E, Schmidt T, Kümmel S, Kronik L. Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue. The Journal of Chemical Physics. 143: 104105. PMID 26374016 DOI: 10.1063/1.4930119  0.751
2015 Kraisler E, Kronik L. Elimination of the asymptotic fractional dissociation problem in Kohn-Sham density-functional theory using the ensemble-generalization approach Physical Review A. 91. DOI: 10.1103/Physreva.91.032504  0.741
2014 Kraisler E, Kronik L. Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations. The Journal of Chemical Physics. 140: 18A540. PMID 24832348 DOI: 10.1063/1.4871462  0.745
2014 Schmidt T, Kraisler E, Makmal A, Kronik L, Kümmel S. A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues. The Journal of Chemical Physics. 140: 18A510. PMID 24832318 DOI: 10.1063/1.4865942  0.691
2014 Schmidt T, Kraisler E, Kronik L, Kümmel S. One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relation. Physical Chemistry Chemical Physics : Pccp. 16: 14357-67. PMID 24618904 DOI: 10.1039/C3Cp55433C  0.698
2013 Kraisler E, Kronik L. Piecewise linearity of approximate density functionals revisited: implications for frontier orbital energies. Physical Review Letters. 110: 126403. PMID 25166825 DOI: 10.1103/Physrevlett.110.126403  0.765
2013 Vilan A, Cahen D, Kraisler E. Rethinking transition voltage spectroscopy within a generic Taylor expansion view. Acs Nano. 7: 695-706. PMID 23236949 DOI: 10.1021/Nn3049686  0.431
2013 Argaman U, Makov G, Kraisler E. Higher ionization energies of atoms in density-functional theory Physical Review A. 88: 42504. DOI: 10.1103/Physreva.88.042504  0.745
2010 Kraisler E, Makov G, Kelson I. Ensemble v-representable ab-initio density-functional calculation of energy and spin in atoms: a test of exchange-correlation approximations. Physical Review A. 82. DOI: 10.1103/Physreva.82.042516  0.746
2009 Kraisler E, Makov G, Argaman N, Kelson I. Fractional occupation in Kohn-Sham density-functional theory and the treatment of non-pure-state v-representable densities Physical Review A. 80: 32115. DOI: 10.1103/Physreva.80.032115  0.691
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