Researcher interests: We are a new research group at the Fritz Haber Center for Molecular Dynamics at the Hebrew University of Jerusalem, Israel. Our research focus lies between theoretical chemistry, computational materials science and solid state physics. In particular, we a
FACULTY / SCHOOL: Faculty of Science
Contact Business Development: Matt Zarek

Selected Publications

julien toulouse, Eli Kraisler, Leeor Kronik, s pittalis, tim gould
asymptotic behavior of the hartree exchange and correlation potentials in ensemble density functional theory (2019)| Physical Chemistry Chemical Physics| Read more
axel schild, e k u gross, Eli Kraisler, matt hodgson, mike entwistle
steps in the exact kohn sham potential of ensemble density functional theory for excited states and their relation to the derivative discontinuity (2018)| Bulletin of the American Physical Society| Read more
axel schild, e k u gross, Eli Kraisler, matt hodgson
how derivative discontinuities in the energy yield interatomic steps in the exact kohn sham potential of density functional theory (2018)| Bulletin of the American Physical Society| Read more
axel schild, e k u gross, Eli Kraisler, m j p hodgson
how interatomic steps in the exact kohn sham potential relate to derivative discontinuities of the energy (2017)| Journal of Physical Chemistry Letters| Read more
e k u gross, Eli Kraisler, m j p hodgson
how is the derivative discontinuity related to steps in the exact kohn sham potential (2017)| arXiv preprint arXiv:1706.00586| Read more
Eli Kraisler, Leeor Kronik, stephan kummel, tobias schmidt
effect of ensemble generalization on the highest occupied kohn sham eigenvalue (2015)| Journal of Chemical Physics| Read more
Eli Kraisler, Leeor Kronik
elimination of the asymptotic fractional dissociation problem in kohn sham density functional theory using the ensemble generalization approach (2015)| Physical Review A| Read more
Eli Kraisler, Leeor Kronik
elimination of the fractional dissociation problem in kohn sham dft using the ensemble generalization approach (2015)| Bulletin of the American Physical Society| Read more
adi makmal, Eli Kraisler, Leeor Kronik, stephan kummel, tobias schmidt
a self interaction free local hybrid functional accurate binding energies vis a vis accurate ionization potentials from kohn sham eigenvalues (2014)| Journal of Chemical Physics| Read more
Eli Kraisler, Leeor Kronik
band gaps with approximate density functionals the derivative discontinuity revealed from ensemble considerations (2014)| Bulletin of the American Physical Society| Read more

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