| 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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