Roi Baer

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DANIEL NEUHAUSERProfessor, Department of Chemistry and Biochemistry, UCLAPreverjeni e-poštni naslov na g.ucla.edu
Eran RabaniGlenn T. Seaborg Chair in Physical Chemistry, University of California, BerkeleyPreverjeni e-poštni naslov na berkeley.edu
Leeor KronikWeizmann Institute of SciencePreverjeni e-poštni naslov na weizmann.ac.il
Ester LivshitsFritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University ofPreverjeni e-poštni naslov na mail.huji.ac.il
Tamar SteinFritz Haber Research Center for Molecular Dynamics, The Hebrew University of JerusalemPreverjeni e-poštni naslov na mail.huji.ac.il
Sivan Refaely-AbramsonWeizmann Institute of SciencePreverjeni e-poštni naslov na weizmann.ac.il
Ronnie KosloffHebrew UniversityPreverjeni e-poštni naslov na fh.huji.ac.il
Vojtech VlcekUniversity of California, Santa BarbaraPreverjeni e-poštni naslov na ucsb.edu
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyPreverjeni e-poštni naslov na cchem.berkeley.edu
Helen EisenbergResearch Associate, Hebrew University of Jerusalem, IsraelPreverjeni e-poštni naslov na mail.huji.ac.il
Jeffrey B. NeatonUniversity of California, Berkeley & Lawrence Berkeley National LaboratoryPreverjeni e-poštni naslov na berkeley.edu
Ulrike SalznerBilkent University (retired)Preverjeni e-poštni naslov na fen.bilkent.edu.tr
Michael BaerProfessor of Theoretical Chemistry, Hebrew UniversityPreverjeni e-poštni naslov na fh.huji.ac.il
Oded HodTel Aviv UniversityPreverjeni e-poštni naslov na tau.ac.il
Ming ChenPurdue UniversityPreverjeni e-poštni naslov na purdue.edu
Daniel StrasserProfessor of Chemistry, The Hebrew University of JerusalemPreverjeni e-poštni naslov na mail.huji.ac.il
Stephan KümmelProfessor of Physics, University of Bayreuth, GermanyPreverjeni e-poštni naslov na uni-bayreuth.de
Niri GovindPhysicist, Pacific Northwest National LaboratoryPreverjeni e-poštni naslov na pnnl.gov
krishnendu gopeAssistant professor, Indian Institute of Science Education and Research-Thiruvananthapuram,KeralaPreverjeni e-poštni naslov na iisertvm.ac.in
Sahar SharifzadehBoston UniversityPreverjeni e-poštni naslov na bu.edu

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Roi Baer

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

Preverjeni e-poštni naslov na huji.ac.il - Domača stran

Density functional theory Optimally-tuned functionals Stochastic electronic structure


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	3243	2015
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	951	2012
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	918	2009
Tuned range-separated hybrids in density functional theory R Baer, E Livshits, U Salzner Annual review of physical chemistry 61 (1), 85-109, 2010	816	2010
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	512	2010
Density functional theory with correct long-range asymptotic behavior R Baer, D Neuhauser Physical review letters 94 (4), 043002, 2005	506	2005
A well-tempered density functional theory of electrons in molecules E Livshits, R Baer Physical Chemistry Chemical Physics 9 (23), 2932-2941, 2007	454	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), 2009	399	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—Condensed Matter and Materials Physics 84 (7), 075144, 2011	367	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	325	2004
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	321	2012
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	317	2013
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	274	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	250	2002
Koopmans’ springs to life U Salzner, R Baer The Journal of chemical physics 131 (23), 2009	232	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	190	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	174	1997
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	165	2014
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	162	2014
Quantum interference in polycyclic hydrocarbon molecular wires D Walter, D Neuhauser, R Baer Chemical physics 299 (1), 139-145, 2004	161	2004

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