487 citations · 3.2k across the 72 of their papers we have counts for
73 papers
Quantum Langevin Dynamics
Mohammad Attrash, Roi Baer
Previous years researchers began to simulate open quantum system, taking into account the interaction between system and the environment. One approach to deal with this problem is…
Compact Gaussian basis sets for stochastic DFT calculations
Marcel David Fabian, Eran Rabani, Roi Baer
This work presents new Gaussian single- and double-zeta basis sets optimized for stochastic density functional theory (sDFT) using real-space auxiliary grids. Previous studies show…
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
Leopoldo Mejía, Sandeep Sharma, Roi Baer +2
Stochastic orbital techniques offer reduced computational scaling and memory requirements to describe ground and excited states at the cost of introducing controlled statistical er…
Stochastic density functional theory combined with Langevin dynamics for warm dense matter
Rebecca Efrat Hadad, Argha Roy, Eran Rabani +2
This study overviews and extends a recently developed stochastic finite-temperature Kohn-Sham density functional theory to study warm dense matter using Langevin dynamics, specific…
Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures
Leopoldo Mejía, Jia Yin, David R. Reichman +3
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of ), whe…
Structure Optimization with Stochastic Density Functional Theory
Ming Chen, Roi Baer, Eran Rabani
Linear-scaling techniques for Kohn-Sham density functional theory (KS-DFT) are essential to describe the ground state properties of extended systems. Still, these techniques often…