Numerical stability and efficiency of response property calculations in density functional theory
DOI10.1007/s11005-023-01645-3zbMath1520.81181arXiv2210.04512MaRDI QIDQ6413407
Gaspard Kemlin, Eric Cancès, Michael F. Herbst, Antoine Levitt, Benjamin Stamm
Publication date: 10 October 2022
Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Classical and relativistic thermodynamics (80A10) Statistical mechanics of metals (82D35) Yang-Mills and other gauge theories in mechanics of particles and systems (70S15) Orbital mechanics (70M20) Dynamical systems in numerical analysis (37N30) Quantum state spaces, operational and probabilistic concepts (81P16) Computational density functional analysis in statistical mechanics (82M36)
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