Software

FZJ-2026-00698

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png ChASE-library/ChASE: Major functionality extension: added solve for pseudo-Hermitian eigenproblems (v1.7.0-rc1)

Wu, X. (Corresponding author)FZJ* ; Winkelmann, J. ; Davidovic, D. ; Di Napoli, E.FZJ* ; Suckert, J. R. ; Achilles, S.FZJ*

2025

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Please use a persistent id in citations: doi:10.5281/ZENODO.17992146

Abstract: Christmas release! ChASE can now tackle pseudo-Hermitian problem as they arise, for instance in Bethe-Salpeter equation. The solve has been extended by generalizing the Chebyshev filter and designing a new oblique method for the Rayleigh-Ritz projection. The algorithmic improvements are also part of a paper that will soon be submitted for publication. This is a release candidate.

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)
2. Center for Advanced Simulation and Analytics (CASA)

Research Program(s):

1. 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)
2. Simulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM) (SDLQM)

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