Pages that link to "Item:Q1578117"

The following pages link to New algebraic formulation of density functional calculation (Q1578117):

Displaying 14 items.

• A variational framework for spectral approximations of Kohn-Sham density functional theory (Q291818) (← links)
• A mesh-free convex approximation scheme for Kohn-sham density functional theory (Q550951) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters (Q1685671) (← links)
• A sublinear-scaling approach to density-functional-theory analysis of crystal defects (Q2119163) (← links)
• Large scale \textit{ab-initio} simulations of dislocations (Q2122748) (← links)
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems (Q2414434) (← links)
• Hybrid finite element/multipole expansion method for atomic Kohn-Sham density functional theory calculations (Q2692436) (← links)
• Higher-Order Finite Element Methods for Kohn-Sham Density Functional Theory (Q5051072) (← links)
• \textsf{PWDFT.jl}: a Julia package for electronic structure calculation using density functional theory and plane wave basis (Q6040075) (← links)
• Mathematical model of hydrogen dissociation on \(\mathrm{Mo}_2\mathrm{C}\) surface in the presence of a laser field (Q6051086) (← links)
• Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems (Q6098548) (← links)
• Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems (Q6178103) (← links)