Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry

DOI10.1007/s40687-022-00365-9OpenAlexW4309406653MaRDI QIDQ2105825

Xiaojie Wu, Lin Lin, Fabian M. Faulstich

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

zbMATH Keywords

discontinuous Galerkin methodsquantum chemistryquantum computingelectronic structureVoronoi decomposition

Mathematics Subject Classification ID

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

Uses Software

• Python
• PySCF
• DGDFT

Cites Work

• Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
• Voronoi Diagrams and Delaunay Triangulations
• An Interior Penalty Finite Element Method with Discontinuous Elements
• Quantum Algorithm for Systems of Linear Equations with Exponentially Improved Dependence on Precision

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