The following pages link to Electronic Structure (Q5502712):
Displaying 13 items.
- Massively-parallel electron dynamics calculations in real-time and real-space: toward applications to nanostructures of more than ten-nanometers in size (Q348982) (← links)
- Numerical solution of singular ODE eigenvalue problems in electronic structure computations (Q536962) (← links)
- Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method (Q1943146) (← links)
- An improved divide-and-conquer algorithm for the banded matrices with narrow bandwidths (Q2007234) (← links)
- Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks (Q2132596) (← links)
- Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory (Q2134768) (← links)
- Towards sharp error analysis of extended Lagrangian molecular dynamics (Q2157128) (← links)
- Multiscale real-space quantum-mechanical tight-binding calculations of electronic structure in crystals with defects using perfectly matched layers (Q2424418) (← links)
- Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch (Q4992814) (← links)
- Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)
- Covariant response theory and the boost transform of the dielectric tensor (Q5242314) (← links)
- Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory (Q6140844) (← links)
- Wavevector-\textit{dependent} optical properties from wavevector-\textit{independent} proper conductivity tensor (Q6167350) (← links)
