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Eli Kraisler
Eli Kraisler
Senior Lecturer at the Fritz Haber Research Center and the Institute of Chemistry, Hebrew University
Verified email at mail.huji.ac.il - Homepage
Title
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Cited by
Year
Piecewise linearity of approximate density functionals revisited: Implications for frontier orbital energies
E Kraisler, L Kronik
Physical review letters 110 (12), 126403, 2013
1492013
Fundamental gaps with approximate density functionals: The derivative discontinuity revealed from ensemble considerations
E Kraisler, L Kronik
The Journal of chemical physics 140 (18), 2014
1012014
A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues
T Schmidt, E Kraisler, A Makmal, L Kronik, S Kümmel
The Journal of Chemical Physics 140 (18), 2014
822014
One-electron self-interaction and the asymptotics of the Kohn–Sham potential: An impaired relation
T Schmidt, E Kraisler, L Kronik, S Kümmel
Physical Chemistry Chemical Physics 16 (28), 14357-14367, 2014
762014
Rethinking transition voltage spectroscopy within a generic Taylor expansion view
A Vilan, D Cahen, E Kraisler
Acs Nano 7 (1), 695-706, 2013
762013
How interatomic steps in the exact Kohn–Sham potential relate to derivative discontinuities of the energy
MJP Hodgson, E Kraisler, A Schild, EKU Gross
The journal of physical chemistry letters 8 (24), 5974-5980, 2017
672017
Elimination of the asymptotic fractional dissociation problem in Kohn-Sham density-functional theory using the ensemble-generalization approach
E Kraisler, L Kronik
Physical Review A 91 (3), 032504, 2015
322015
Ensemble v-representable ab initio density-functional calculation of energy and spin in atoms: A test of exchange-correlation approximations
E Kraisler, G Makov, I Kelson
Physical Review A 82 (4), 042516, 2010
222010
Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue
E Kraisler, T Schmidt, S Kümmel, L Kronik
The Journal of Chemical Physics 143 (10), 2015
212015
Charge-transfer steps in density functional theory from the perspective of the exact electron factorization
J Kocák, E Kraisler, A Schild
The Journal of Physical Chemistry Letters 12 (12), 3204-3209, 2021
182021
Fractional occupation in Kohn-Sham density-functional theory and the treatment of non-pure-state v-representable densities
E Kraisler, G Makov, N Argaman, I Kelson
Physical Review A 80 (3), 032115, 2009
182009
Asymptotic Behavior of the Exchange‐Correlation Energy Density and the Kohn‐Sham Potential in Density Functional Theory: Exact Results and Strategy for Approximations
E Kraisler
Israel Journal of Chemistry 60 (8-9), 805-822, 2020
172020
Discontinuous behavior of the Pauli potential in density functional theory as a function of the electron number
E Kraisler, A Schild
Physical Review Research 2 (1), 013159, 2020
172020
From Kohn–Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential
E Kraisler, EKU Hodgson, M. J. P., Gross
J. Chem. Theory Comput. 17, 1390, 2021
142021
Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory
T Gould, S Pittalis, J Toulouse, E Kraisler, L Kronik
Physical Chemistry Chemical Physics 21 (36), 19805-19815, 2019
142019
First-principles derivation and properties of density-functional average-atom models
TJ Callow, SB Hansen, E Kraisler, A Cangi
Physical Review Research 4 (2), 023055, 2022
132022
Higher ionization energies of atoms in density-functional theory
U Argaman, G Makov, E Kraisler
Physical Review A 88 (4), 042504, 2013
122013
Improved calculations of mean ionization states with an average-atom model
TJ Callow, E Kraisler, A Cangi
Physical Review Research 5 (1), 013049, 2023
62023
On the relationship between the Kohn-Sham potential, the Pauli potential, and the Exact Electron Factorization
J Kocák, E Kraisler, A Schild
arXiv preprint arXiv:2010.14885, 2020
42020
Geometric potential of the exact electron factorization: Meaning, significance, and application
J Kocák, E Kraisler, A Schild
Physical Review Research 5 (1), 013016, 2023
32023
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