Pages that link to "Item:Q882089"
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The following pages link to Finite element approach for density functional theory calculations on locally-refined meshes (Q882089):
Displaying 28 items.
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
- A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations (Q356769) (← links)
- A Kohn-Sham equation solver based on hexahedral finite elements (Q417846) (← links)
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation (Q423034) (← links)
- An \(h\)-adaptive finite element solver for the calculations of the electronic structures (Q440645) (← links)
- Optimized local basis set for Kohn-Sham density functional theory (Q440653) (← links)
- Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh (Q717038) (← links)
- Real-time adaptive finite element solution of time-dependent Kohn-Sham equation (Q728808) (← links)
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations (Q882583) (← links)
- Finite difference schemes and block Rayleigh quotient iteration for electronic structure calculations on composite grids (Q1282381) (← links)
- A divide-and-conquer implementation of the discrete variational DFT method for large molecular and solid systems (Q1286960) (← links)
- Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method (Q1943146) (← links)
- A \(p\)-version two level spline method for 2D Navier-Stokes equations (Q2007295) (← links)
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods (Q2246291) (← links)
- The local density approximation in density functional theory (Q2289358) (← links)
- Real-space density functional theory and time dependent density functional theory using finite/infinite element methods (Q2375383) (← links)
- Multi-domain muffin tin finite element density functional calculations for small molecules (Q2406738) (← links)
- A symmetry-based decomposition approach to eigenvalue problems (Q2441117) (← links)
- \({h-P}\) finite element approximation for full-potential electronic structure calculations (Q2448455) (← links)
- Accelerated block preconditioned gradient method for large scale wave functions calculations in density functional theory (Q2655696) (← links)
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442) (← links)
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation (Q2952918) (← links)
- Density functional theory calculations using the finite element method (Q3404231) (← links)
- Higher-Order Finite Element Methods for Kohn-Sham Density Functional Theory (Q5051072) (← links)
- Adaptive Finite Element Approximations for Kohn--Sham Models (Q5251794) (← links)
- Finite-element methods in electronic-structure theory (Q5936512) (← links)
- Tensor decompositions for the bubbles and cube numerical framework (Q6155406) (← links)
