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Roi Baer
Roi Baer
Ratner Family Chair in Chemistry, Fritz Haber Center, The Hebrew University of Jerusalem
Verified email at huji.ac.il - Homepage
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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
31932015
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
9232012
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
9062009
Tuned range-separated hybrids in density functional theory
R Baer, E Livshits, U Salzner
Annual review of physical chemistry 61 (1), 85-109, 2010
8012010
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
5062010
Density functional theory with correct long-range asymptotic behavior
R Baer, D Neuhauser
Physical review letters 94 (4), 043002, 2005
4992005
A well-tempered density functional theory of electrons in molecules
E Livshits, R Baer
Physical Chemistry Chemical Physics 9 (23), 2932-2941, 2007
4492007
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
3962009
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—Condensed Matter and Materials Physics 84 (7), 075144, 2011
3602011
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
3232004
Quasiparticle Spectra from a Nonempirical Optimally Tuned<? format?> Range-Separated Hybrid Density Functional
S Refaely-Abramson, S Sharifzadeh, N Govind, J Autschbach, JB Neaton, ...
Physical review letters 109 (22), 226405, 2012
3132012
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—Condensed Matter and Materials Physics 88 (8), 081204, 2013
3072013
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
2712011
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
2452002
Koopmans’ springs to life
U Salzner, R Baer
The Journal of chemical physics 131 (23), 2009
2352009
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
1862012
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
1721997
Quantum interference in polycyclic hydrocarbon molecular wires
D Walter, D Neuhauser, R Baer
Chemical Physics 299 (1), 139-145, 2004
1622004
Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic Approach
D Neuhauser, Y Gao, C Arntsen, C Karshenas, E Rabani, R Baer
Physical review letters 113 (7), 076402, 2014
1612014
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
1582014
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