activity
20142025
most citedDeviations from piecewise linearity in the solid-state limit with approximate density functionals

53 citations · 297 across the 28 of their papers we have counts for

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7 papers · 1 filter

physics.comp-ph2024

Renormalization of States and Quasiparticles in Many-body Downfolding

Annabelle Canestraight, Zhen Huang, Vojtech Vlcek

We explore the principles of many-body Hamiltonian complexity reduction via downfolding on an effective low-dimensional representation. We present a unique measure of fidelity betw…

physics.comp-ph2023

Efficient Quasiparticle Determination beyond the Diagonal Approximation via Random Compression

Annabelle Canestraight, Xiaohe Lei, Khaled Ibrahim +1

Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Her…

physics.comp-ph2023

On the unimportance of memory for the time non-local components of the Kadanoff-Baym equations

Cian C. Reeves, Yuanran Zhu, Chao Yang +1

The generalized Kadanoff-Baym ansatz (GKBA) is an approximation to the Kadanoff-Baym equations (KBE), that neglects certain memory effects that contribute to the Green's function a…

physics.comp-ph2022★ 18 cited

Dynamic Mode Decomposition for Extrapolating Non-equilibrium Green's Functions Dynamics

Cian C. Reeves, Jia Yin, Yuanran Zhu +3

The HF-GKBA offers an approximate numerical procedure for propagating the two-time non-equilibrium Green's function(NEGF). Here we compare the HF-GKBA to exact results for a variet…

physics.comp-ph2021

Stochastic many-body calculations of moiré states in twisted bilayer graphene at high pressures

Mariya Romanova, Vojtech Vlcek

Atomistic first principles many-body computational studies were so far limited by the system size. In this work, we apply and expand the stochastic GW method allowing calculations…

physics.comp-ph2020★ 22 cited

Decomposition and embedding in the stochastic self-energy

Mariya Romanova, Vojtěch Vlček

We present two new developments for computing excited state energies within the approximation. First, calculations of the Green's function and the screened Coulomb interaction…

physics.comp-ph2019★ 14 cited

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…