Roi Baer

发表

Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution.

Leeor Kronik, Natalia Kuritz, Tamar Stein, 2011, Journal of chemical theory and computation.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2018, WIREs Computational Molecular Science.

Efficient linear-response method circumventing the exchange-correlation kernel: theory for molecular conductance under finite bias.

Roi Baer, Daniel Neuhauser, R. Baer, 2005, The Journal of chemical physics.

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom‐centered basis set using multiatom blocks

Yihan Shao, Philip N. Ross, Roi Baer, 2003, J. Comput. Chem..

Communication: Monte Carlo calculation of the exchange energy.

Roi Baer, Daniel Neuhauser, R. Baer, 2012, The Journal of chemical physics.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Communication: Embedded fragment stochastic density functional theory.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2014, The Journal of chemical physics.

A spline for your saddle.

Roi Baer, R. Baer, Rebecca Granot, 2008, The Journal of chemical physics.

Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in Three Dimensions.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2013, The journal of physical chemistry letters.

Quantum dissipative dynamics of adsorbates near metal surfaces: A surrogate Hamiltonian theory applied to hydrogen on nickel

Ronnie Kosloff, Roi Baer, R. Baer, 1997 .

The role of non adiabatic mechanisms in the dissociation dynamics of O2 on silver surfaces

Ronnie Kosloff, Roi Baer, R. Baer, 1996 .

Stochastic Self-Consistent Second-Order Green's Function Method for Correlation Energies of Large Electronic Systems.

Dominika Zgid, Roi Baer, Daniel Neuhauser, 2017, Journal of chemical theory and computation.

Gap renormalization of molecular crystals from density-functional theory

Jeffrey B. Neaton, Leeor Kronik, Roi Baer, 2013 .

A method for ab initio nonlinear electron-density evolution

Roi Baer, R. Baer, Recca Gould, 2001 .

Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

Leeor Kronik, Roi Baer, R. Baer, 2011 .

Quasiparticle spectra from a nonempirical optimally tuned range-separated hybrid density functional.

Leeor Kronik, Niranjan Govind, Jochen Autschbach, 2012, Physical review letters.

Chebyshev expansion methods for electronic structure calculations on large molecular systems

Martin Head-Gordon, Roi Baer, R. Baer, 1997 .

Enhanced Absorption Induced by a Metallic Nano-Shell

Shimon Weiss, Roi Baer, R. Baer, 2003 .

Sparsity of the Density Matrix in Kohn-Sham Density Functional Theory and an Assessment of Linear System-Size Scaling Methods

Martin Head-Gordon, Roi Baer, R. Baer, 1997 .

A Guided Stochastic Energy-Domain Formulation of the Second Order Møller-Plesset Perturbation Theory.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2014, The journal of physical chemistry letters.

A parallel electromagnetic molecular logic gate.

Oded Hod, Eran Rabani, Roi Baer, 2005, Journal of the American Chemical Society.

Magnetoresistance of nanoscale molecular devices.

Oded Hod, Eran Rabani, Roi Baer, 2006, Accounts of chemical research.

Magnetoresistance devices based on single-walled carbon nanotubes.

Oded Hod, Eran Rabani, Roi Baer, 2005, The Journal of chemical physics.

On the mapping of time-dependent densities onto potentials in quantum mechanics.

Roi Baer, 2008, The Journal of chemical physics.

Koopmans' springs to life.

Roi Baer, Ulrike Salzner, R. Baer, 2009, The Journal of chemical physics.

Improved Fermi operator expansion methods for fast electronic structure calculations

Yihan Shao, Alexis T. Bell, Martin Head-Gordon, 2003 .

Energy renormalization-group method for electronic structure of large systems

Martin Head-Gordon, Roi Baer, 1998 .

Tuned range-separated hybrids in density functional theory.

Roi Baer, Ulrike Salzner, R. Baer, 2010, Annual review of physical chemistry.

Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals.

Leeor Kronik, Tamar Stein, Roi Baer, 2012, Journal of chemical theory and computation.

Accurate and efficient evolution of nonlinear Schrödinger equations

Roi Baer, R. Baer, 2000 .

Quantum memory effects in the dynamics of electrons in gold clusters

Roi Baer, Yair Kurzweil, 2006 .