Stochastic GW with the orthogonalized projector augmented wave method

We introduce stochastic GW with the orthogonalized projector augmented-wave method. This implementation enables accurate quasiparticle bandgaps on significantly coarser real-space grids than norm-conserving pseudopotential stochastic GW. The orthogonalized projector augmented-wave representation preserves the formal all-electron character and enables stochastic sampling of Green's function and screened Coulomb interaction.

Authors

Institutions

Publication Details

Journal
The Journal of Chemical Physics
Published
2026-09-15
DOI
https://doi.org/10.1063/5.0336604
Primary Topic
Electromagnetic Simulation and Numerical Methods
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
article

Stochastic GW with the orthogonalized projector augmented wave method

Tucker Allen, Daniel Neuhauser, Dimitri Bazile, Yuji Kon et al.
The Journal of Chemical Physics
Electromagnetic Simulation and Numerical Methods
article

Stochastic GW with the orthogonalized projector augmented wave method

Tucker Allen, Daniel Neuhauser, Dimitri Bazile, Yuji Kon, Minh Nhat Nguyen
article en

Abstract

We introduce stochastic GW with the orthogonalized projector augmented-wave method. This implementation enables accurate quasiparticle bandgaps on significantly coarser real-space grids than norm-conserving pseudopotential stochastic GW. The orthogonalized projector augmented-wave representation preserves the formal all-electron character and enables stochastic sampling of Green's function and screened Coulomb interaction.

The Journal of Chemical PhysicsVol. 165(11)
University of California, Los Angeles (US), Sandia National Laboratories (US)
National Science Foundation, United States-Israel Binational Science Foundation
Openalex Percentile: Top 79%
Electromagnetic Simulation and Numerical Methods
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.