Pages that link to "Item:Q3404231"
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The following pages link to Density functional theory calculations using the finite element method (Q3404231):
Displaying 22 items.
- Finite element calculations for systems with multiple Coulomb centers (Q448453) (← links)
- Density functional calculation of many-electron systems in Cartesian coordinate grid (Q645172) (← links)
- Finite element approach for density functional theory calculations on locally-refined meshes (Q882089) (← links)
- Non-periodic finite-element formulation of orbital-free density functional theory (Q1019324) (← links)
- Quasi-continuum orbital-free density-functional theory: a route to multi-million atom non-periodic DFT calculation (Q1019325) (← links)
- Pseudopotential for electronic structure calculations of uranium compounds (Q1682846) (← links)
- Pseudospectral methods for density functional theory in bounded and unbounded domains (Q1685279) (← links)
- PEXSI-\(\Sigma\): a Green's function embedding method for Kohn-Sham density functional theory (Q1797855) (← links)
- Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method (Q1943146) (← links)
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187) (← 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)
- Real-space density functional theory and time dependent density functional theory using finite/infinite element methods (Q2375383) (← links)
- Convergence study of isogeometric analysis based on Bézier extraction in electronic structure calculations (Q2422897) (← links)
- Numerical stability and efficiency of response property calculations in density functional theory (Q2689099) (← links)
- Solving the Schrödinger equation on real-space grids and with random walks (Q2848245) (← links)
- Meshfree implementation for the real-space electronic-structure calculation of crystalline solids (Q3157120) (← links)
- Electronic structure calculations for inhomogeneous systems: Interfaces, surfaces, and nanocontacts (Q3546237) (← links)
- Density Functional Theories and Self-energy Approaches (Q4462822) (← links)
- Finite Element Approximations in Orbital-Free Density Functional Theory (Q4591471) (← links)
- Finite-element methods in electronic-structure theory (Q5936512) (← links)
- Self-consistent finite-difference electronic structure calculations (Q5938238) (← links)
- Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems (Q6178103) (← links)
