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The top documents of nedsy8
Tamar Stein, Helen Eisenberg, Leeor Kronik and Roi Baer- Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method
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Shlomit Jacobi and Roi Baer- Variational grand-canonical electronic structure method for open systems
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Adva Baratz and Roi Baer- Non-mechanical conductance switching in a realistic molecular tunnel junction
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Roi Baer- Born–Oppenheimer invariants along nuclear configuration paths
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Yair Kurzweil and Roi Baer- Generic Galilean-invariant exchange-correlation functionals with quantum memory
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Ulrike Salzner and Roi Baer- Koopmans’ springs to life
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Daniel Neuhauser and Roi Baer- Efficient linear-response method circumventing the exchange-correlation kernel: Theory for molecular conductance under finite bias
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Ode Hod, Eran Rabani and Roi Baer- Magnetoresistance of Nanoscale Molecular Devices
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Prashant K. Jain et al- Near-Field Manipulation of Spectroscopic Selection Rules on the Nanoscale
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Kenneth Lopata, Daniel Neuhauser and Roi Baer- Curve crossing and negative refraction in simulations of near-field coupled metallic nanoparticle arrays
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Rebecca Granot and Roi Baer- Can primordial helium survive in diamonds on geologic time scales?
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Chandra Saravanan et al- Sparse Matrix Multiplications for Linear Scaling Electronic Structure Calculations in an Atom-Centered Basis Set Using Multiatom Blocks
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Roi Baer et al- A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn–Teller model
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Roi Baer and Daniel Neuhauser- Many-body scattering formalism of quantum molecular conductance
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Roi Baer, Daniel Neuhauser and Shimon Weiss- Enhanced Absorption Induced by a Metallic Nanoshell
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Tamar Stein, Leeor Kronik and Roi Baer- Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
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Chris Liu, Derek Walter and Daniel Neuhauser- Molecular Recognition and Conductance in Crown Ethers
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Roi Baer, Yehuda Zeiri and Ronnie Kosloff- Influence of dimensionality on deep tunneling rates: A study based on the hydrogen-nickel system
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G. J. Halász et al- D matrix analysis of the Renner-Teller effect: An accurate three-state diabatization for NH2
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Roi Baer and Martin Head-Gordon- Electronic structure of large systems: Coping with small gaps using the energy renormalization group method
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