Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry

DOI10.1007/S40687-022-00365-9OpenAlexW4309406653MaRDI QIDQ2105825FDOQ2105825

Authors: Fabian M. Faulstich, Xiaojie Wu, Lin Lin 

Publication date: 8 December 2022

Published in: Research in the Mathematical Sciences (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2011.00367

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zbMATH Keywords

discontinuous Galerkin methodsquantum computingelectronic structurequantum chemistryVoronoi decomposition

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Quantum theory (81-XX)

Cites Work

• An Interior Penalty Finite Element Method with Discontinuous Elements
• Voronoi diagrams and Delaunay triangulations
• Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
• Quantum algorithm for systems of linear equations with exponentially improved dependence on precision

Cited In (1)

• Linear scaling discontinuous Galerkin density matrix minimization method with local orbital enriched finite element basis: 1-D lattice model system

Uses Software

• Python
• PySCF
• DGDFT

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