Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187): Difference between revisions

From MaRDI portal
Changed an Item
ReferenceBot (talk | contribs)
Changed an Item
 
(4 intermediate revisions by 3 users not shown)
Property / describes a project that uses
 
Property / describes a project that uses: CASTEP / rank
 
Normal rank
Property / describes a project that uses
 
Property / describes a project that uses: ClusterES / rank
 
Normal rank
Property / MaRDI profile type
 
Property / MaRDI profile type: MaRDI publication profile / rank
 
Normal rank
Property / full work available at URL
 
Property / full work available at URL: https://doi.org/10.1016/j.jmps.2016.08.007 / rank
 
Normal rank
Property / OpenAlex ID
 
Property / OpenAlex ID: W2411573120 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q5395377 / rank
 
Normal rank
Property / cites work
 
Property / cites work: A spectral scheme for Kohn-Sham density functional theory of clusters / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q3786658 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Symmetry, groups, and boundary value problems. A progressive introduction to noncommutative harmonic analysis of partial differential equations in domains with geometrical symmetry / rank
 
Normal rank
Property / cites work
 
Property / cites work: Boundary Value Problems with Symmetry and Their Approximation by Finite Elements / rank
 
Normal rank
Property / cites work
 
Property / cites work: Nonequilibrium molecular dynamics for bulk materials and nanostructures / rank
 
Normal rank
Property / cites work
 
Property / cites work: Computing a molecule: A mathematical viewpoint / rank
 
Normal rank
Property / cites work
 
Property / cites work: Mathematical models and methods for ab initio quantum chemistry / rank
 
Normal rank
Property / cites work
 
Property / cites work: Flexoelectricity in soft materials and biological membranes / rank
 
Normal rank
Property / cites work
 
Property / cites work: Objective molecular dynamics / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q4399897 / rank
 
Normal rank
Property / cites work
 
Property / cites work: SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems / rank
 
Normal rank
Property / cites work
 
Property / cites work: SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q3093929 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q3891087 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Objective structures / rank
 
Normal rank
Property / cites work
 
Property / cites work: Perturbation theory for linear operators. / rank
 
Normal rank
Property / cites work
 
Property / cites work: Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method / rank
 
Normal rank
Property / cites work
 
Property / cites work: Electronic Structure Calculations for Solids and Molecules / rank
 
Normal rank
Property / cites work
 
Property / cites work: A note on finite difference discretizations for Poisson equation on a disk / rank
 
Normal rank
Property / cites work
 
Property / cites work: Handbook of Numerical Analysis X. Special volume: Computational chemistry. / rank
 
Normal rank
Property / cites work
 
Property / cites work: Electronic Structure / rank
 
Normal rank
Property / cites work
 
Property / cites work: Numerical treatment of polar coordinate singularities / rank
 
Normal rank
Property / cites work
 
Property / cites work: Higher-order adaptive finite-element methods for Kohn-Sham density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Partial Differential Equations with Periodic Coefficients and Bloch Waves in Crystals / rank
 
Normal rank
Property / cites work
 
Property / cites work: Finite-element methods in electronic-structure theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q3230257 / rank
 
Normal rank
Property / cites work
 
Property / cites work: A sublinear-scaling approach to density-functional-theory analysis of crystal defects / rank
 
Normal rank
Property / cites work
 
Property / cites work: Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators / rank
 
Normal rank
Property / cites work
 
Property / cites work: Anderson acceleration of the Jacobi iterative method: an efficient alternative to Krylov methods for large, sparse linear systems / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q4185363 / rank
 
Normal rank
Property / cites work
 
Property / cites work: An Introduction to Partial Differential Equations / rank
 
Normal rank
Property / cites work
 
Property / cites work: Self-Consistent Field Theory for Open Shells of Electronic Systems / rank
 
Normal rank
Property / cites work
 
Property / cites work: GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems / rank
 
Normal rank
Property / cites work
 
Property / cites work: Q2768030 / rank
 
Normal rank
Property / cites work
 
Property / cites work: Simplified LCAO Method for the Periodic Potential Problem / rank
 
Normal rank
Property / cites work
 
Property / cites work: Augmented Lagrangian formulation of orbital-free density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Non-periodic finite-element formulation of Kohn-Sham density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Coarse-graining Kohn-Sham density functional theory / rank
 
Normal rank
Property / cites work
 
Property / cites work: Generalized Preconditioned Locally Harmonic Residual Method for Non-Hermitian Eigenproblems / rank
 
Normal rank
Property / cites work
 
Property / cites work: Self-consistent-field calculations using Chebyshev-filtered subspace iteration / rank
 
Normal rank
Property / cites work
 
Property / cites work: Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation / rank
 
Normal rank

Latest revision as of 10:19, 28 July 2024

scientific article
Language Label Description Also known as
English
Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
scientific article

    Statements

    Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (English)
    0 references
    23 March 2022
    0 references
    Kohn-Sham density functional theory
    0 references
    cyclic symmetry group
    0 references
    finite-differences
    0 references
    bending deformations
    0 references
    objective structures
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references

    Identifiers