H. Lederer

activity

20182025

G_{0} W_{0}

implementation with numerical atomic orbital basis functions: algorithm and benchmarks

57 citations · 154 across the 5 of their papers we have counts for

collaborators

Showing 2020Show all

2 papers · 1 filter

cond-mat.mtrl-sci2020★ 57 cited

All-electron periodic $G_{0} W_{0}$ implementation with numerical atomic orbital basis functions: algorithm and benchmarks

Xinguo Ren, Florian Merz, Hong Jiang +5

We present an all-electron, periodic {\GnWn} implementation within the numerical atomic orbital (NAO) basis framework. A localized variant of the resolution-of-the-identity (RI) ap…

physics.comp-ph2020★ 51 cited

GPU-Acceleration of the ELPA2 Distributed Eigensolver for Dense Symmetric and Hermitian Eigenproblems

Victor Wen-zhe Yu, Jonathan Moussa, Pavel Kůs +5

The solution of eigenproblems is often a key computational bottleneck that limits the tractable system size of numerical algorithms, among them electronic structure theory in chemi…

All-electron periodic G0​W0​ implementation with numerical atomic orbital basis functions: algorithm and benchmarks

GPU-Acceleration of the ELPA2 Distributed Eigensolver for Dense Symmetric and Hermitian Eigenproblems

All-electron periodic $G_{0} W_{0}$ implementation with numerical atomic orbital basis functions: algorithm and benchmarks