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Roi Baer
Roi Baer
Ratner Family Chair in Chemistry, Fritz Haber Center, The Hebrew University of Jerusalem
Bestätigte E-Mail-Adresse bei huji.ac.il - Startseite
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Zitiert von
Zitiert von
Jahr
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
30732015
Excitation gaps of finite-sized systems from optimally tuned range-separated hybrid functionals
L Kronik, T Stein, S Refaely-Abramson, R Baer
Journal of Chemical Theory and Computation 8 (5), 1515-1531, 2012
8922012
Reliable prediction of charge transfer excitations in molecular complexes using time-dependent density functional theory
T Stein, L Kronik, R Baer
Journal of the American Chemical Society 131 (8), 2818-2820, 2009
8782009
Tuned range-separated hybrids in density functional theory
R Baer, E Livshits, U Salzner
Annual review of physical chemistry 61, 85-109, 2010
7772010
Density functional theory with correct long-range asymptotic behavior
R Baer, D Neuhauser
Physical review letters 94 (4), 043002, 2005
4892005
Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method
T Stein, H Eisenberg, L Kronik, R Baer
Physical review letters 105 (26), 266802, 2010
4882010
A well-tempered density functional theory of electrons in molecules
E Livshits, R Baer
Physical Chemistry Chemical Physics 9 (23), 2932-2941, 2007
4372007
Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
T Stein, L Kronik, R Baer
The Journal of chemical physics 131 (24), 2009
3902009
Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional
S Refaely-Abramson, R Baer, L Kronik
Physical Review B 84 (7), 075144, 2011
3542011
Electrical or photocontrol of the rotary motion of a metallacarborane
MF Hawthorne, JI Zink, JM Skelton, MJ Bayer, C Liu, E Livshits, R Baer, ...
Science 303 (5665), 1849-1851, 2004
3182004
Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional
S Refaely-Abramson, S Sharifzadeh, N Govind, J Autschbach, JB Neaton, ...
arXiv preprint arXiv:1203.2357, 2012
3052012
Gap renormalization of molecular crystals from density-functional theory
S Refaely-Abramson, S Sharifzadeh, M Jain, R Baer, JB Neaton, L Kronik
Physical Review B 88 (8), 081204, 2013
2922013
Charge-transfer-like π→ π* excitations in time-dependent density functional theory: A conundrum and its solution
N Kuritz, T Stein, R Baer, L Kronik
Journal of chemical theory and computation 7 (8), 2408-2415, 2011
2672011
Phase coherent electronics: a molecular switch based on quantum interference
R Baer, D Neuhauser
Journal of the American Chemical Society 124 (16), 4200-4201, 2002
2392002
Koopmans’ springs to life
U Salzner, R Baer
The Journal of chemical physics 131 (23), 2009
2272009
Curvature and frontier orbital energies in density functional theory
T Stein, J Autschbach, N Govind, L Kronik, R Baer
The journal of physical chemistry letters 3 (24), 3740-3744, 2012
1792012
Sparsity of the density matrix in Kohn-Sham density functional theory and an assessment of linear system-size scaling methods
R Baer, M Head-Gordon
Physical review letters 79 (20), 3962, 1997
1701997
Quantum interference in polycyclic hydrocarbon molecular wires
D Walter, D Neuhauser, R Baer
Chemical physics 299 (1), 139-145, 2004
1572004
Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally tuned range-separated hybrid functional
DA Egger, S Weissman, S Refaely-Abramson, S Sharifzadeh, M Dauth, ...
Journal of chemical theory and computation 10 (5), 1934-1952, 2014
1542014
Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic G W Approach
D Neuhauser, Y Gao, C Arntsen, C Karshenas, E Rabani, R Baer
Physical review letters 113 (7), 076402, 2014
1532014
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