Pages that link to "Item:Q1044397"
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The following pages link to Existence of minimizers for Kohn-Sham models in quantum chemistry (Q1044397):
Displayed 34 items.
- A variational framework for spectral approximations of Kohn-Sham density functional theory (Q291818) (← links)
- A singularity-based eigenfunction decomposition for Kohn-Sham equations (Q341330) (← links)
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
- Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry (Q740811) (← links)
- Existence of Hartree-Fock excited states for atoms and molecules (Q1744104) (← links)
- A numerical study of the extended Kohn-Sham ground states of atoms (Q1789235) (← links)
- Numerical analysis of finite dimensional approximations of Kohn-Sham models (Q1946518) (← links)
- Dissociation limit in Kohn-Sham density functional theory (Q2057927) (← links)
- Symmetry breaking and the generation of spin ordered magnetic states in density functional theory due to Dirac exchange for a hydrogen molecule (Q2083228) (← links)
- On the reduced Hartree-Fock equations with a small Anderson type background charge distribution (Q2088087) (← links)
- Large scale \textit{ab-initio} simulations of dislocations (Q2122748) (← links)
- A parallel orbital-updating based optimization method for electronic structure calculations (Q2133051) (← links)
- Born-Oppenheimer potential energy surfaces for Kohn-Sham models in the local density approximation (Q2135179) (← links)
- On derivation of the Poisson-Boltzmann equation (Q2194194) (← links)
- Existence and nonexistence of HOMO-LUMO excitations in Kohn-Sham density functional theory (Q2201735) (← links)
- Spectral quadrature method for accurate \(\mathcal{O}(N)\) electronic structure calculations of metals and insulators (Q2374018) (← links)
- Effective Maxwell equations from time-dependent density functional theory (Q2430904) (← links)
- \({h-P}\) finite element approximation for full-potential electronic structure calculations (Q2448455) (← links)
- MATHEMATICAL MODELING OF POINT DEFECTS IN MATERIALS SCIENCE (Q2868590) (← links)
- The Microscopic Origin of the Macroscopic Dielectric Permittivity of Crystals: A Mathematical Viewpoint (Q2897259) (← links)
- Nonlinear Bound States in a Schrödinger--Poisson System with External Potential (Q2960083) (← links)
- Introduction to First-Principle Simulation of Molecular Systems (Q4637192) (← links)
- A reduced Hartree–Fock model of slice-like defects in the Fermi sea (Q4972333) (← links)
- The Kohn-Sham equation for deformed crystals (Q4979161) (← links)
- Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations (Q5034831) (← links)
- New Optimal Control Problems in Density Functional Theory Motivated by Photovoltaics (Q5197635) (← links)
- Multiscale Analysis and Computation for a Stationary Schrödinger--Poisson System in Heterogeneous Nanostructures (Q5251785) (← links)
- Adaptive Finite Element Approximations for Kohn--Sham Models (Q5251794) (← links)
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations (Q5254429) (← links)
- Hartree-Fock theory with a self-generated magnetic field (Q5282843) (← links)
- A Proximal Gradient Method for Ensemble Density Functional Theory (Q5502093) (← links)
- Differential equations of quantum mechanics (Q5869466) (← links)
- SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (Q6155140) (← links)
- On an effective equation of the reduced Hartree-Fock theory (Q6175431) (← links)