activity
20042023
most citedA density functional theory with correct long-range asymptotic behavior

439 citations · 1.4k across the 47 of their papers we have counts for

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Showing 2017Show all

6 papers · 1 filter

physics.chem-ph2017★ 1 cited

SOFI for Plasmonics: Extracting Near-field Intensity in the Far-Field at High Density

Robert C. Boutelle, Xiyu Yi, Daniel Neuhauser +1

Unlike normal fluorescent methods that use the intensity as a direct measurement of the localized enhanced field, we use blinking statistics of quantum dots (QDs). We have already…

cond-mat.mes-hall2017★ 22 cited

Quasiparticle spectra from molecules to bulk

Vojtech Vlcek, Eran Rabani, Daniel Neuhauser

A stochastic cumulant GW method is presented, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes and emergence of collective excitations f…

physics.chem-ph2017

Stochastic self-consistent second-order Green's function method for correlation energies of large electronic systems

Daniel Neuhauser, Roi Baer, Dominika Zgid

The second-order Matsubara Green's function method (GF2) is a robust temperature dependent quantum chemistry approach, extending beyond the random-phase approximation. However, til…

physics.chem-ph2017

A Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory

Tyler Y. Takeshita, Wibe A. de Jong, Daniel Neuhauser +2

A stochastic orbital approach to the resolution of identity (RI) approximation for 4-index 2-electron electron repulsion integrals (ERIs) is presented. The stochastic RI-ERIs are t…

physics.chem-ph2017★ 28 cited

Equilibrium configurations of large nanostructures using the embedded saturated-fragments stochastic density functional theory

Eitam Arnon, Eran Rabani, Daniel Neuhauser +1

An \emph{ab initio} Langevin dynamics approach is developed based on stochastic density functional theory (sDFT) within a new \emph{embedded saturated } \emph{fragment }formalism,…

physics.chem-ph2017★ 22 cited

Simple eigenvalue-self-consistent

Vojtěch Vlček, Roi Baer, Eran Rabani +1

We derive a general form of eigenvalue self-consistency for in the time domain and use it to obtain a simplified postprocessing eigenvalue self-consistency, which we label…