scientific article; zbMATH DE number 5371722
zbMATH Open1164.65479MaRDI QIDQ3538692FDOQ3538692
Authors: Carlos J. García-Cervera 
Publication date: 24 November 2008
Title of this publication is not available (Why is that?)
Recommendations
- Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory
- Phaseless Imaging by Reverse Time Migration: Acoustic Waves
- Real-space density functional theory and time dependent density functional theory using finite/infinite element methods
- A massively-parallel electronic-structure calculations based on real-space density functional theory
- Recent progress in orbital-free density functional theory
- Orbital-free spherical density functional theory
- Higher-order finite-difference formulation of periodic orbital-free density functional theory
- Non-periodic finite-element formulation of orbital-free density functional theory
numerical examplesconstrained optimizationfinite differencesdensity functional theorytruncated Newton methodsecond order quasilinear elliptic equationenergy minimization methodThomas-Fermi-von Weizsäcker energy functionalWang-Teter correction
Nonlinear boundary value problems for linear elliptic equations (35J65) Finite difference methods for boundary value problems involving PDEs (65N06) Energy minimization in equilibrium problems in solid mechanics (74G65) Optimization problems in optics and electromagnetic theory (78M50)
Cited In (20)
- Orbital-free spherical density functional theory
- Orbital-free density functional theory: Differences and similarities between electronic and nuclear systems
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- DoNOF: an open-source implementation of natural-orbital-functional-based methods for quantum chemistry
- Convergence stability and estimator in orbital free electronic structure calculation on a grid at finite temperature
- Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory
- Phaseless Imaging by Reverse Time Migration: Acoustic Waves
- Higher-order finite-difference formulation of periodic orbital-free density functional theory
- Chapter 4: An orbital free ab initio method: applications to liquid metals and clusters
- Chapter 7: Shell-correction and orbital-free density-functional methods for finite systems
- Issues and challenges in orbital-free density functional calculations
- Non-periodic finite-element formulation of orbital-free density functional theory
- Title not available (Why is that?)
- Tests and applications for atoms of an optimized semiexplicit density functional method
- A proximal gradient method for ensemble density functional theory
- Augmented Lagrangian formulation of orbital-free density functional theory
- Numerical computation of the half Laplacian by means of a fast convolution algorithm
- ATLAS: a real-space finite-difference implementation of orbital-free density functional theory
- CONUNDrum: a program for orbital-free density functional theory calculations
- Hybridized kinetic energy functional for orbital-free density functional method
This page was built for publication:
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3538692)
