The following pages link to Electronic Structure (Q5502713):
Displayed 50 items.
- TOMBO: all-electron mixed-basis approach to condensed matter physics (Q312011) (← links)
- \textsc{BoltzWann}: a code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis (Q313907) (← links)
- A singularity-based eigenfunction decomposition for Kohn-Sham equations (Q341330) (← links)
- Accelerating large partial EVD/SVD calculations by filtered block Davidson methods (Q341332) (← links)
- A full multigrid method for nonlinear eigenvalue problems (Q341406) (← links)
- Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (Q347712) (← links)
- Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations (Q348188) (← links)
- Augmented Lagrangian formulation of orbital-free density functional theory (Q349483) (← 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)
- B-splines and NURBS based finite element methods for Kohn-Sham equations (Q503298) (← links)
- Full symmetry implementation in condensed matter and molecular physics-modified group projector technique (Q516736) (← links)
- Optimization algorithm for the generation of ONCV pseudopotentials (Q525641) (← links)
- TurboEELS -- a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory (Q525664) (← links)
- CPMC-lab: a Matlab package for constrained path Monte Carlo calculations (Q525748) (← links)
- \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations (Q536939) (← links)
- \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions (Q548953) (← links)
- Linear response approach to collective electronic excitations of solids and surfaces (Q603385) (← links)
- Finite element approximations of nonlinear eigenvalue problems in quantum physics (Q653736) (← links)
- Trial wave functions for high-pressure metallic hydrogen (Q711186) (← links)
- Applications of density matrix in the fractional quantum mechanics: Thomas-Fermi model and Hohenberg-Kohn theorems revisited (Q715417) (← links)
- Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh (Q717038) (← links)
- Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (Q728633) (← links)
- A multigrid method for eigenvalue problem (Q728684) (← links)
- A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
- Higher-order finite-difference formulation of periodic orbital-free density functional theory (Q729423) (← links)
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
- Maximization of the sum of the trace ratio on the Stiefel manifold. II: computation (Q887055) (← links)
- Localization of matrix factorizations (Q896551) (← links)
- The reduced basis method in all-electron calculations with finite elements (Q904237) (← links)
- Quantum dot-DNA interaction: Computational issues and preliminary insights on use of quantum dots as biosensors (Q1013883) (← links)
- SCDM-k: localized orbitals for solids via selected columns of the density matrix (Q1685234) (← links)
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations (Q1685442) (← links)
- Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta (Q1687073) (← links)
- A mathematical aspect of Hohenberg-Kohn theorem (Q1729932) (← links)
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 (Q1731981) (← links)
- Thermodynamic limit of crystal defects with finite temperature tight binding (Q1783964) (← links)
- Fast multipole preconditioners for sparse matrices arising from elliptic equations (Q1790219) (← links)
- Hohenberg-Kohn theorem for Coulomb type systems and its generalization (Q1934328) (← links)
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory (Q1943198) (← links)
- Numerical analysis of finite dimensional approximations of Kohn-Sham models (Q1946518) (← links)
- Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations (Q1948839) (← links)
- An a posteriori verification method for generalized real-symmetric eigenvalue problems in large-scale electronic state calculations (Q1987430) (← links)
- Adaptive QM/MM coupling for crystalline defects (Q1988149) (← links)
- Projected nonmonotone search methods for optimization with orthogonality constraints (Q1993600) (← links)
- Locality of interatomic interactions in self-consistent tight binding models (Q2022692) (← links)
- On an eigenvector-dependent nonlinear eigenvalue problem from the perspective of relative perturbation theory (Q2029665) (← links)
- Split representation of adaptively compressed polarizability operator (Q2050851) (← links)
- The variational quantum eigensolver: a review of methods and best practices (Q2092477) (← links)