The following pages link to Libxc (Q18932):
Displaying 13 items.
- Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique (Q356776) (← links)
- An \(h\)-adaptive finite element solver for the calculations of the electronic structures (Q440645) (← links)
- Investigation of optimal control problems governed by a time-dependent Kohn-Sham model (Q667835) (← links)
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
- An asymptotics-based adaptive finite element method for Kohn-Sham equation (Q2000054) (← links)
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory (Q2124890) (← links)
- A robust and efficient line search for self-consistent field iterations (Q2137928) (← 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)
- Multi-domain muffin tin finite element density functional calculations for small molecules (Q2406738) (← links)
- Seven useful questions in density functional theory (Q2701163) (← links)
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation (Q2952918) (← links)
- On Stabilizing and Accelerating SCF Using ITP in Solving Kohn–Sham Equation (Q5162325) (← links)
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689) (← links)
