Numerical stability and efficiency of response property calculations in density functional theory
Published 2023 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Numerical stability and efficiency of response property calculations in density functional theory
Authors
Keywords
-
Journal
LETTERS IN MATHEMATICAL PHYSICS
Volume 113, Issue 1, Pages -
Publisher
Springer Science and Business Media LLC
Online
2023-02-16
DOI
10.1007/s11005-023-01645-3
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Analysis of the Feshbach–Schur method for the Fourier spectral discretizations of Schrödinger operators
- (2022) Geneviève Dusson et al. MATHEMATICS OF COMPUTATION
- Kohn-Sham Equations as Regularizer: Building Prior Knowledge into Machine-Learned Physics
- (2021) Li Li et al. PHYSICAL REVIEW LETTERS
- Learning the Exchange-Correlation Functional from Nature with Fully Differentiable Density Functional Theory
- (2021) M. F. Kasim et al. PHYSICAL REVIEW LETTERS
- Pushing the frontiers of density functionals by solving the fractional electron problem
- (2021) James Kirkpatrick et al. SCIENCE
- Numerical quadrature in the Brillouin zone for periodic Schrödinger operators
- (2020) Éric Cancès et al. NUMERISCHE MATHEMATIK
- ABINIT: Overview and focus on selected capabilities
- (2020) Aldo H. Romero et al. JOURNAL OF CHEMICAL PHYSICS
- Screening in the Finite-Temperature Reduced Hartree–Fock Model
- (2020) Antoine Levitt ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS
- Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory
- (2020) Michael F Herbst et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- The Abinitproject: Impact, environment and recent developments
- (2019) Xavier Gonze et al. COMPUTER PHYSICS COMMUNICATIONS
- Convergence rates of supercell calculations in the reduced Hartree−Fock model
- (2016) David Gontier et al. ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS-MODELISATION MATHEMATIQUE ET ANALYSE NUMERIQUE
- A mathematical perspective on density functional perturbation theory
- (2014) Eric Cancès et al. NONLINEARITY
- Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
- (2011) Eric Cancès et al. ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS-MODELISATION MATHEMATIQUE ET ANALYSE NUMERIQUE
- The Dielectric Permittivity of Crystals in the Reduced Hartree–Fock Approximation
- (2009) Éric Cancès et al. ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- A New Approach to the Modeling of Local Defects in Crystals: The Reduced Hartree-Fock Case
- (2008) Éric Cancès et al. COMMUNICATIONS IN MATHEMATICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started