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

@@ Property / MaRDI profile type @@
+MaRDI publication profile
@@ Property / MaRDI profile type: MaRDI publication profile / rank @@
+Normal rank
@@ Property / full work available at URL @@
+https://doi.org/10.1016/j.jmps.2016.08.007
+Normal rank
@@ Property / OpenAlex ID @@
+W2411573120
@@ Property / OpenAlex ID: W2411573120 / rank @@
+Normal rank
@@ Property / cites work @@
+Q5395377
@@ Property / cites work: Q5395377 / rank @@
+Normal rank
@@ Property / cites work @@
+A spectral scheme for Kohn-Sham density functional theory of clusters
+Normal rank
@@ Property / cites work @@
+Q3786658
@@ Property / cites work: Q3786658 / rank @@
+Normal rank
@@ 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
+Normal rank
@@ Property / cites work @@
+Boundary Value Problems with Symmetry and Their Approximation by Finite Elements
+Normal rank
@@ Property / cites work @@
+Nonequilibrium molecular dynamics for bulk materials and nanostructures
+Normal rank
@@ Property / cites work @@
+Computing a molecule: A mathematical viewpoint
@@ Property / cites work: Computing a molecule: A mathematical viewpoint / rank @@
+Normal rank
@@ Property / cites work @@
+Mathematical models and methods for ab initio quantum chemistry
+Normal rank
@@ Property / cites work @@
+Flexoelectricity in soft materials and biological membranes
+Normal rank
@@ Property / cites work @@
+Objective molecular dynamics
@@ Property / cites work: Objective molecular dynamics / rank @@
+Normal rank
@@ Property / cites work @@
+Q4399897
@@ Property / cites work: Q4399897 / rank @@
+Normal rank
@@ Property / cites work @@
+SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems
+Normal rank
@@ Property / cites work @@
+SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters
+Normal rank
@@ Property / cites work @@
+Q3093929
@@ Property / cites work: Q3093929 / rank @@
+Normal rank
@@ Property / cites work @@
+Q3891087
@@ Property / cites work: Q3891087 / rank @@
+Normal rank
@@ Property / cites work @@
+Objective structures
@@ Property / cites work: Objective structures / rank @@
+Normal rank
@@ Property / cites work @@
+Perturbation theory for linear operators.
@@ Property / cites work: Perturbation theory for linear operators. / rank @@
+Normal rank
@@ Property / cites work @@
+Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method
+Normal rank
@@ Property / cites work @@
+Electronic Structure Calculations for Solids and Molecules
+Normal rank
@@ Property / cites work @@
+A note on finite difference discretizations for Poisson equation on a disk
+Normal rank
@@ Property / cites work @@
+Handbook of Numerical Analysis X. Special volume: Computational chemistry.
+Normal rank
@@ Property / cites work @@
+Electronic Structure
@@ Property / cites work: Electronic Structure / rank @@
+Normal rank
@@ Property / cites work @@
+Numerical treatment of polar coordinate singularities
+Normal rank
@@ Property / cites work @@
+Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
+Normal rank
@@ Property / cites work @@
+Partial Differential Equations with Periodic Coefficients and Bloch Waves in Crystals
+Normal rank
@@ Property / cites work @@
+Finite-element methods in electronic-structure theory
+Normal rank
@@ Property / cites work @@
+Q3230257
@@ Property / cites work: Q3230257 / rank @@
+Normal rank
@@ Property / cites work @@
+A sublinear-scaling approach to density-functional-theory analysis of crystal defects
+Normal rank
@@ Property / cites work @@
+Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators
+Normal rank
@@ Property / cites work @@
+Anderson acceleration of the Jacobi iterative method: an efficient alternative to Krylov methods for large, sparse linear systems
+Normal rank
@@ Property / cites work @@
+Q4185363
@@ Property / cites work: Q4185363 / rank @@
+Normal rank
@@ Property / cites work @@
+An Introduction to Partial Differential Equations
@@ Property / cites work: An Introduction to Partial Differential Equations / rank @@
+Normal rank
@@ Property / cites work @@
+Self-Consistent Field Theory for Open Shells of Electronic Systems
+Normal rank
@@ Property / cites work @@
+GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
+Normal rank
@@ Property / cites work @@
+Q2768030
@@ Property / cites work: Q2768030 / rank @@
+Normal rank
@@ Property / cites work @@
+Simplified LCAO Method for the Periodic Potential Problem
+Normal rank
@@ Property / cites work @@
+Augmented Lagrangian formulation of orbital-free density functional theory
+Normal rank
@@ Property / cites work @@
+Non-periodic finite-element formulation of Kohn-Sham density functional theory
+Normal rank
@@ Property / cites work @@
+Coarse-graining Kohn-Sham density functional theory
+Normal rank
@@ Property / cites work @@
+Generalized Preconditioned Locally Harmonic Residual Method for Non-Hermitian Eigenproblems
+Normal rank
@@ Property / cites work @@
+Self-consistent-field calculations using Chebyshev-filtered subspace iteration
+Normal rank
@@ Property / cites work @@
+Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
+Normal rank