Benchmark of Time-Frequency component of GreenX library
The benchmark of the time-frequency component of the recently released GreenX library is finally out! Check our draft on https://arxiv.org/abs/2403.06709, where we benchmarked the minimax grids for conventional-scaling RPA and low-scaling GW calculations.
Welcome Antonio!
Antonio joined our group as postdoc!
Catalyzing Electronic Structure Calculations: Unveiling the Power of Separable RI
We are delighted to announce our latest research published by JCP https://doi.org/10.1063/5.0184406. In this study, we implemented a separable resolution-of-identity (RI) scheme within an all-electron numeric atom-centered orbital framework, as proposed by Duchemin and Blase. The separable RI scheme maintains the accuracy of the standard global RI method, enabling the formulation of cubic-scaling random phase…
GreenX Library’s new milestone: Efficient grids for RPA and GW calculations
We are delighted to announce the publication of our recent paper, “Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations”. This groundbreaking research introduces the GX-TimeFrequency component, originating from the NOMAD Center of Excellence. Our work showcases the robustness of minimax time and frequency grids, tailored specifically for Green’s function-based…
Welcome Jannis!
Jannis joined our group as PhD student.