Body-ordered approximations of atomic properties
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Publication:2675797
DOI10.1007/s00205-022-01809-wOpenAlexW4286381782WikidataQ114231134 ScholiaQ114231134MaRDI QIDQ2675797
Huajie Chen, Jack Thomas, Christoph Ortner
Publication date: 26 September 2022
Published in: Archive for Rational Mechanics and Analysis (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s00205-022-01809-w
Related Items (2)
Polynomial approximation of symmetric functions ⋮ A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion
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Cites Work
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- Analysis of boundary conditions for crystal defect atomistic simulations
- A note on the Kantorovich theorem for Newton iteration
- Asymptotic behaviour of eigenfunctions for multiparticle Schrödinger operators
- A primer on spectral theory
- On analyticity of functions involving eigenvalues
- Thermodynamic limit of crystal defects with finite temperature tight binding
- Perturbation theory for linear operators.
- Zeros of orthogonal polynomials on the real line
- Kernel polynomial approximations for densities of states and spectral functions
- Coarse-graining Kohn-Sham density functional theory
- Locality of interatomic interactions in self-consistent tight binding models
- Atomic cluster expansion: completeness, efficiency and stability
- Screening in the finite-temperature reduced Hartree-Fock model
- QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model
- Density functional tight binding
- Point defects in tight binding models for insulators
- Classical Fourier Analysis
- Lebesgue constants for Leja points
- Spectral pollution and how to avoid it
- Estimation of integrals with respect to a density of states
- From Potential Theory to Matrix Iterations in Six Steps
- Algorithm 756: a MATLAB toolbox for Schwarz-Christoffel mapping
- Schwarz-Christoffel Mapping
- Green's Functions for Multiply Connected Domains via Conformal Mapping
- A convergence theorem for Newton’s method in Banach spaces
- Periodic Schrödinger Operators with Local Defects and Spectral Pollution
- Decay Properties of Spectral Projectors with Applications to Electronic Structure
- Electronic structure of smoothly deformed crystals: Cauchy-born rule for the nonlinear tight-binding model
- The Kohn-Sham equation for deformed crystals
- Locality of interatomic forces in tight binding models for insulators
- Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations
- First-Order Perturbation Theory for Eigenvalues and Eigenvectors
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions
- Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
- Logarithmic Potential Theory with Applications to Approximation Theory
- Analysis of the divide-and-conquer method for electronic structure calculations
- Simplified LCAO Method for the Periodic Potential Problem
- Convergence Analysis of Direct Minimization and Self-Consistent Iterations
- Complex Analysis
- The potential theory of several intervals and its applications
- SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature
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