- Properties of phase-coherent energy shuttling on the nanoscale Roi Baera ,b
- A Parallel Electromagnetic Molecular Logic Gate Oded Hod, Roi Baer,*, and Eran Rabani*,
- IOP PUBLISHING JOURNAL OF PHYSICS A: MATHEMATICAL AND THEORETICAL J. Phys. A: Math. Theor. 40 (2007) F267F272 doi:10.1088/1751-8113/40/15/F01
- FRONTIERS ARTICLE Theory of multiexciton generation in semiconductor nanocrystals
- Theoretical studies of molecular scale near-field electron dynamics Department of Physical Chemistry and the Lise Meitner Center for Quantum Chemistry,
- VOLUME 79, NUMBER 20 P H Y S I C A L R E V I E W L E T T E R S 17 NOVEMBER 1997 Sparsity of the Density Matrix in Kohn-Sham Density Functional Theory
- Fast methods for resumming matrix polynomials and Chebyshev matrix polynomials
- Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method Tamar Stein,1
- Subscriber access provided by HEBREW UNIV Journal of the American Chemical Society is published by the American Chemical
- D matrix analysis of the Renner-Teller effect: An accurate three-state diabatization for NH2
- Quantum memory effects in the dynamics of electrons in gold clusters Yair Kurzweil and Roi Baer*
- Time-Dependent Density-Functional Studies of the D2 Coulomb Explosion Ester Livshits and Roi Baer*
- Variational grand-canonical electronic structure method for open systems Shlomit Jacobi and Roi Baera
- Photoionization dynamics of glycine adsorbed on a silicon cluster: "On-the-fly" simulations
- Efficient linear-response method circumventing the exchange-correlation kernel: Theory for molecular conductance under finite bias
- Density Functional Theory with Correct Long-Range Asymptotic Behavior Roi Baer1,* and Daniel Neuhauser2,
- Real-time study of the adiabatic energy loss in an atomic collision with a metal cluster
- Generic Galilean-invariant exchange-correlation functionals with quantum memory Yair Kurzweil and Roi Baer*
- Time-dependent exchange-correlation current density functionals with memory
- Real-time linear response for time-dependent density-functional theory Department of Physical Chemistry and the Lise Meitner Minerva-Center for Quantum Chemistry,
- Quantum interference in polycyclic hydrocarbon molecular wires Derek Walter a
- Trajectory-dependent cellularized frozen Gaussians, a new approach for semiclassical dynamics: Theory and application
- Molecular Recognition and Conductance in Crown Ethers Chris Liu, Derek Walter, and Daniel Neuhauser
- Ab-initio study of the AC impedance of a molecular junction Institute of Chemistry and the Lise Meitner Minerva-Center for Quantum Chemistry, the Hebrew University of
- PROOF COPY [AD9051] 043310PRA [AD9051]043310PRA
- Many-body scattering formalism of quantum molecular conductance
- BornOppenheimer invariants along nuclear configuration paths Department of Physical Chemistry and the Lise Meitner Minerva Center for Quantum Chemistry,
- Non-adiabatic couplings by time-dependent density functional theory
- Anti-coherence based molecular electronics: XOR-gate response
- Phase Coherent Electronics: A Molecular Switch Based on Quantum Interference
- Augmented Lagrangian method for order-N electronic structure Satrajit Adhikari and Roi Baera)
- Accurate and efficient evolution of nonlinear Schrodinger equations Department of Physical Chemistry and The Lise Meitner Minerva-Center for Quantum Chemistry,
- Molecular electronic structure using auxiliary field Monte Carlo, plane-waves, and pseudopotentials
- Energy renormalization-group method for electronic structure of large systems Roi Baer and Martin Head-Gordon
- Electronic structure of large systems: Coping with small gaps using the energy renormalization group method
- Quantum dissipative dynamics of adsorbates near metal surfaces: A surrogate Hamiltonian theory applied to hydrogen on nickel
- Avoiding self-repulsion in density functional description of biased molecular junctions
- Quantum soliton dynamics in vibrational chains: Comparison of fully correlated, mean field, and classical dynamics
- Magnetoresistance of Nanoscale Molecular Devices
- CURRICULUM VITAE ROI BAER, (30 SEPTEMBER 2008) Institute of Chemistry and the Fritz Haber Center for Molecular Dynamics
- AFMC.doc submitted to World Scientific : 28/08/2001 : 14:34 1/1 SHIFTED CONTOUR AUXILIARY FIELD MONTE CARLO
- Carbon nanotube closed-ring structures Oded Hod and Eran Rabani
- Shifted-contour auxiliary field Monte Carlo for ab initio electronic structure: Straddling the sign problem
- Israel Journal of Chemistry Vol. 45 2005 pp. 161170 *Authortowhomcorrespondenceshouldbeaddressed.E-mail
- Koopmans' springs to life Ulrike Salzner1,a
- Inelastic Effects in Aharonov-Bohm Molecular Interferometers Oded Hod,1,* Roi Baer,2
- 30 June 2000 Z .Chemical Physics Letters 324 2000 101107
- General BornOppenheimerHuang approach to systems of electrons and nuclei
- A method for ab initio nonlinear electron-density evolution and Recca Gould
- Can primordial helium survive in diamonds on geologic time scales? Rebecca Granot and Roi Baer*
- Magnetoresistance devices based on single-walled carbon nanotubes Oded Hod and Eran Rabania
- Hydrogen transport in nickel ,,111... Department of Physical Chemistry and the Fritz Haber Research Center, The Hebrew University, Jerusalem 91904, Israel
- A five-dimensional quantum mechanical study of the HCH4\H2CH3 reaction
- Sparse Matrix Multiplications for Linear Scaling Electronic Structure Calculations in an Atom-Centered
- Laser-induced resonance states as dynamic suppressors of ionization in high-frequency short pulses
- The well-tempered auxiliary-field Monte Carlo Shlomit Jacobi and Roi Baera)
- On the mapping of time-dependent densities onto potentials in quantum mechanics
- Chebyshev expansion methods for electronic structure calculations on large molecular systems
- Ab initio computation of forces and molecular spectroscopic constants using plane waves based auxiliary field Monte Carlo with application to N2
- *Author to whom correspondence should be addressed. E-mail: seideman@chem.northwestern.edu
- 1 A Density Functional Theory for Studying Ionization Processes in 2 Water Clusters
- Renner-Teller nonadiabatic coupling terms: An ab-initio study of the HNH molecule
- ANRV408-PC61-05 ARI 15 October 2009 21:18 Tuned Range-Separated
- Influence of dimensionality on deep tunneling rates: A study based on the hydrogen-nickel system
- Ab initio computation of molecular singlettriplet energy dierences using auxiliary eld Monte Carlo
- Enhanced Absorption Induced by a Metallic Nanoshell
- Surface Science 411 (1998) L783L788 Surface Science Letters
- A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations
- Feasible Nanometric Magnetoresistance Devices Oded Hod, Roi Baer,*, and Eran Rabani*,
- Curve crossing and negative refraction in simulations of near-field coupled metallic nanoparticle arrays
- Journal of Theoretical and Computational Chemistry, Vol. 2, No. 4 (2003) 537546 c World Scientific Publishing Company
- Combinatorial invariants and covariants as tools for conical intersections Itai Ryb and Roi Baera)
- A Huckel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire
- Rotational aspects of short-pulse population transfer in diatomic molecules
- Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional
- A new generalized KohnSham method for fundamental band-gaps in solids
- r XXXX American Chemical Society A dx.doi.org/10.1021/ct2002804 |J. Chem. Theory Comput. XXXX, XXX, 000000 pubs.acs.org/JCTC
- Baratz and Baer: Supplementary Material SUPPLEMENTARY INFORMATION
- Variational grand-canonical electronic structure of Li+Li at ~104 with second-order perturbation theory corrections
- Non-mechanical conductance switching in a realistic molecular tunnel junction
- Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional
- Expeditious stochastic calculation of multiexciton generation rates in semiconductor nanocrystals
- Near-Field Manipulation of Spectroscopic Selection Rules on the Nanoscale
- Supporting Information for Near-Field Manipulation of Spectroscopic Selection Rules on
- This journal is c the Owner Societies 2012 Phys. Chem. Chem. Phys. Cite this: DOI: 10.1039/c2cp23351g
- Calculation of Transition Dipole Moment in Fluorescent ProteinsTowards Efficient Energy Transfer