Roi Baer

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DANIEL NEUHAUSERProfessor, Department of Chemistry and Biochemistry, UCLAZweryfikowany adres z g.ucla.edu
Eran RabaniProfessor of Chemistry, University of California, BerkeleyZweryfikowany adres z berkeley.edu
Leeor KronikWeizmann Institute of ScienceZweryfikowany adres z weizmann.ac.il
Tamar SteinFritz Haber Research Center for Molecular Dynamics, The Hebrew University of JerusalemZweryfikowany adres z mail.huji.ac.il
Ester LivshitsFritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University ofZweryfikowany adres z mail.huji.ac.il
Ronnie KosloffHebrew UniversityZweryfikowany adres z fh.huji.ac.il
Sivan Refaely-AbramsonWeizmann Institute of ScienceZweryfikowany adres z weizmann.ac.il
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyZweryfikowany adres z cchem.berkeley.edu
Vojtech VlcekUniversity of California, Santa BarbaraZweryfikowany adres z ucsb.edu
Jeffrey B. NeatonUniversity of California, Berkeley & Lawrence Berkeley National LaboratoryZweryfikowany adres z lbl.gov
Michael BaerProfessor of Theoretical Chemistry, Hebrew UniversityZweryfikowany adres z fh.huji.ac.il
Ulrike SalznerBilkent UniversityZweryfikowany adres z fen.bilkent.edu.tr
Niri GovindPacific Northwest National LaboratoryZweryfikowany adres z pnnl.gov
Sahar SharifzadehBoston UniversityZweryfikowany adres z bu.edu
Ming ChenLawrence Berkeley National LaboratoryZweryfikowany adres z lbl.gov
Chandra Saravanan (SARU)Vice President, Reliance Technology GroupZweryfikowany adres z ril.com
Yi Gao (高逸)PIMCOZweryfikowany adres z mfe.berkeley.edu
Stephan KuemmelProfessor of Physics, University of Bayreuth, GermanyZweryfikowany adres z uni-bayreuth.de
Egbert ZojerGraz University of TechnologyZweryfikowany adres z tugraz.at
Gábor HalászFaculty of Informatics, University of Debrecen, HungaryZweryfikowany adres z inf.unideb.hu

Roi Baer

Ratner Family Chair in Chemistry, Fritz Haber Center, The Hebrew University of Jerusalem

Zweryfikowany adres z huji.ac.il - Strona główna

Density functional theory Optimally-tuned functionals Stochastic electronic structure


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
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	2125	2015
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	685	2009
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	663	2012
Tuned range-separated hybrids in density functional theory R Baer, E Livshits, U Salzner Annual review of physical chemistry 61, 85-109, 2010	589	2010
Density functional theory with correct long-range asymptotic behavior R Baer, D Neuhauser Physical review letters 94 (4), 043002, 2005	418	2005
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	389	2010
A well-tempered density functional theory of electrons in molecules E Livshits, R Baer Physical Chemistry Chemical Physics 9 (23), 2932-2941, 2007	374	2007
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), 244119, 2009	309	2009
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	298	2011
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	284	2004
Quasiparticle spectra from a nonempirical optimally tuned range-separated hybrid density functional S Refaely-Abramson, S Sharifzadeh, N Govind, J Autschbach, JB Neaton, ... Physical review letters 109 (22), 226405, 2012	238	2012
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	226	2011
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	216	2002
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	207	2013
Koopmans’ springs to life U Salzner, R Baer The Journal of chemical physics 131 (23), 231101, 2009	188	2009
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	153	2012
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	150	1997
Phase space approach for optimizing grid representations: The mapped Fourier method E Fattal, R Baer, R Kosloff Physical Review E 53 (1), 1217, 1996	147	1996
A study of conical intersection effects on scattering processes: The validity of adiabatic single‐surface approximations within a quasi‐Jahn–Teller model R Baer, DM Charutz, R Kosloff, M Baer The Journal of chemical physics 105 (20), 9141-9152, 1996	146	1996
Quantum interference in polycyclic hydrocarbon molecular wires D Walter, D Neuhauser, R Baer Chemical physics 299 (1), 139-145, 2004	144	2004

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