Pages that link to "Item:Q2374017"

The following pages link to ATLAS: a real-space finite-difference implementation of orbital-free density functional theory (Q2374017):

Displaying 8 items.

• Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631) (← links)
• Augmented Lagrangian formulation of orbital-free density functional theory (Q349483) (← links)
• Multiconfiguration electron density function for the \texttt{ATSP}2K-package (Q615073) (← links)
• Higher-order finite-difference formulation of periodic orbital-free density functional theory (Q729423) (← links)
• Quasi-continuum orbital-free density-functional theory: a route to multi-million atom non-periodic DFT calculation (Q1019325) (← links)
• CONUNDrum: a program for orbital-free density functional theory calculations (Q6040070) (← links)
• Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory (Q6115295) (← links)
• eQE 2.0: subsystem DFT beyond GGA functionals (Q6162094) (← links)