487 citations · 3.2k across the 72 of their papers we have counts for
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Stochastic Resolution of Identity for Real-Time Second-Order Green's Function: Ionization Potential and Quasi-particle Spectrum
Wenjie Dou, Tyler Y. Takeshita, Ming Chen +3
We develop a stochastic resolution of identity approach to the real-time second-order Green's function (real-time sRI-GF2) theory, extending our recent work for imaginary-time Mats…
Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory within the Kubo-Greenwood formalism
Yael Cytter, Eran Rabani, Daniel Neuhauser +3
The Kubo-Greenwood (KG) formula is often used in conjunction with Kohn-Sham (KS) density functional theory (DFT) to compute the optical conductivity, particularly for warm dense ma…
Stochastic embedding DFT: theory and application to p-nitroaniline
Wenfei Li, Ming Chen, Eran Rabani +2
Over this past decade, we combined the idea of stochastic resolution of identity with a variety of electronic structure methods. In our stochastic Kohn-Sham DFT method, the density…
Stochastic Time-Dependent DFT with Optimally Tuned Range-Separated Hybrids: Application to Excitonic Effects in Large Phosphorene Sheets
Vojtech Vlcek, Roi Baer, Daniel Neuhauser
We develop a stochastic approach to time-dependent DFT with optimally-tuned range-separated hybrids containing non-local exchange, for calculating optical spectra. The attractive e…
Nonmonotonic band gap evolution in bent phosphorene nanosheets
Vojtech Vlcek, Eran Rabani, Roi Baer +1
Nonmonotonic bending-induced changes of fundamental band gaps and quasiparticle energies are observed for realistic nanoscale phosphorene nanosheets. Calculations using stochastic…