Body-ordered approximations of atomic properties (Q2675797)

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English	Body-ordered approximations of atomic properties	scientific article

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scholarly article

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Body-ordered approximations of atomic properties (English)

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10.1007/s00205-022-01809-w

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Christoph Ortner

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Archive for Rational Mechanics and Analysis

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publication date

26 September 2022

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Mathematics Subject Classification ID

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zbMATH DE Number

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describes a project that uses

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Schwarz-Christoffel

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MaRDI profile type

MaRDI publication profile

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full work available at URL

https://doi.org/10.1007/s00205-022-01809-w

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A primer on spectral theory

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Atomic cluster expansion: completeness, efficiency and stability

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Complex Analysis

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Decay Properties of Spectral Projectors with Applications to Electronic Structure

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Convergence Analysis of Direct Minimization and Self-Consistent Iterations

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Periodic Schrödinger Operators with Local Defects and Spectral Pollution

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Thermodynamic limit of crystal defects with finite temperature tight binding

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Geometry equilibration of crystalline defects in quantum and atomistic descriptions

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QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model

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Locality of interatomic forces in tight binding models for insulators

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Analysis of the divide-and-conquer method for electronic structure calculations

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Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations

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Asymptotic behaviour of eigenfunctions for multiparticle Schrödinger operators

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Zeros of orthogonal polynomials on the real line

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Algorithm 756: a MATLAB toolbox for Schwarz-Christoffel mapping

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From Potential Theory to Matrix Iterations in Six Steps

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Schwarz-Christoffel Mapping

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Analysis of boundary conditions for crystal defect atomistic simulations

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Density functional tight binding

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Green's Functions for Multiply Connected Domains via Conformal Mapping

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Classical Fourier Analysis

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First-Order Perturbation Theory for Eigenvalues and Eigenvectors

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Perturbation theory for linear operators.

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Screening in the finite-temperature reduced Hartree-Fock model

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Spectral pollution and how to avoid it

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Estimation of integrals with respect to a density of states

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Point defects in tight binding models for insulators

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Logarithmic Potential Theory with Applications to Approximation Theory

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Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

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The potential theory of several intervals and its applications

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Kernel polynomial approximations for densities of states and spectral functions

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Simplified LCAO Method for the Periodic Potential Problem

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Coarse-graining Kohn-Sham density functional theory

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SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature

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Lebesgue constants for Leja points

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Locality of interatomic interactions in self-consistent tight binding models

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On analyticity of functions involving eigenvalues

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Electronic structure of smoothly deformed crystals: Cauchy-born rule for the nonlinear tight-binding model

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The Kohn-Sham equation for deformed crystals

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A convergence theorem for Newton’s method in Banach spaces

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A note on the Kantorovich theorem for Newton iteration

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Mathematics(1 entry)

mardi Publication:2675797

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