Body-ordered approximations of atomic properties
From MaRDI portal
Publication:2675797
Recommendations
- Locality of interatomic forces in tight binding models for insulators
- The local density approximation in density functional theory
- Locality of interatomic interactions in self-consistent tight binding models
- scientific article; zbMATH DE number 1735950
- The validity of the local density approximation for smooth short range interaction potentials
Cites work
- A convergence theorem for Newton’s method in Banach spaces
- A note on the Kantorovich theorem for Newton iteration
- A primer on spectral theory
- Algorithm 756: a MATLAB toolbox for Schwarz-Christoffel mapping
- Analysis of boundary conditions for crystal defect atomistic simulations
- Analysis of the divide-and-conquer method for electronic structure calculations
- Approximation theory and approximation practice
- Asymptotic behaviour of eigenfunctions for multiparticle Schrödinger operators
- Atomic cluster expansion: completeness, efficiency and stability
- Classical Fourier Analysis
- Coarse-graining Kohn-Sham density functional theory
- Complex Analysis
- Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations
- Convergence analysis of direct minimization and self-consistent iterations
- Decay properties of spectral projectors with applications to electronic structure
- Density functional tight binding
- Electronic structure of smoothly deformed crystals: Cauchy-Born rule for the nonlinear tight-binding model
- Estimation of integrals with respect to a density of states
- First-order perturbation theory for eigenvalues and eigenvectors
- From Potential Theory to Matrix Iterations in Six Steps
- Function theory of several complex variables
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions
- Green's Functions for Multiply Connected Domains via Conformal Mapping
- scientific article; zbMATH DE number 6377290 (Why is no real title available?)
- scientific article; zbMATH DE number 3114657 (Why is no real title available?)
- scientific article; zbMATH DE number 5295869 (Why is no real title available?)
- scientific article; zbMATH DE number 1375599 (Why is no real title available?)
- scientific article; zbMATH DE number 739279 (Why is no real title available?)
- scientific article; zbMATH DE number 1077997 (Why is no real title available?)
- scientific article; zbMATH DE number 279750 (Why is no real title available?)
- scientific article; zbMATH DE number 3227305 (Why is no real title available?)
- scientific article; zbMATH DE number 3418036 (Why is no real title available?)
- scientific article; zbMATH DE number 3084323 (Why is no real title available?)
- Kernel polynomial approximations for densities of states and spectral functions
- Lebesgue constants for Leja points
- Locality of interatomic forces in tight binding models for insulators
- Locality of interatomic interactions in self-consistent tight binding models
- Logarithmic potential theory with applications to approximation theory
- Moment tensor potentials: a class of systematically improvable interatomic potentials
- On analyticity of functions involving eigenvalues
- Periodic Schrödinger operators with local defects and spectral pollution
- Perturbation theory for linear operators.
- Point defects in tight binding models for insulators
- QM/MM methods for crystalline defects. I: Locality of the tight binding model
- Schwarz-Christoffel Mapping
- Screening in the finite-temperature reduced Hartree-Fock model
- Simplified LCAO Method for the Periodic Potential Problem
- Spectral pollution and how to avoid it
- SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature
- The Kohn-Sham equation for deformed crystals
- The potential theory of several intervals and its applications
- Thermodynamic limit of crystal defects with finite temperature tight binding
- Zeros of orthogonal polynomials on the real line
Cited in
(5)- Properties of the atoms in finitely supported structures
- Polynomial approximation of symmetric functions
- Minimal realizations of atomic density functions
- A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion
- Self-consistent Coulomb interactions for machine learning interatomic potentials
This page was built for publication: Body-ordered approximations of atomic properties
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2675797)