Pages that link to "Item:Q5864689"
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The following pages link to An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689):
Displaying 12 items.
- Efficient multi-scale computation of products of orbitals in electronic structure calculations (Q414079) (← links)
- Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations (Q536916) (← links)
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems (Q2696541) (← links)
- An SAV Method for Imaginary Time Gradient Flow Model in Density Functional Theory (Q5889045) (← links)
- CONUNDrum: a program for orbital-free density functional theory calculations (Q6040070) (← links)
- DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077) (← links)
- DoNOF: an open-source implementation of natural-orbital-functional-based methods for quantum chemistry (Q6045171) (← links)
- A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory (Q6110105) (← links)
- A penalty-free infeasible approach for a class of nonsmooth optimization problems over the Stiefel manifold (Q6120009) (← links)
- A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron KohnSham Model (Q6151257) (← links)
- Second-order Sobolev gradient flows for computing ground state of ultracold Fermi gases (Q6582049) (← links)
- AFEPack: a general-purpose C++ library for numerical solutions of partial differential equations (Q6608357) (← links)
