
KSSOLV
 Referenced in 35 articles
[sw06806]
 nonlinear eigenvalue problems known as the KohnSham equations. These types of problems arise ... developing new algorithms for solving the KohnSham equations and is designed to enable researchers...

PARSEC
 Referenced in 20 articles
[sw22333]
 computer code that solves the KohnSham equations by expressing electron wavefunctions directly ... sparsity of the Hamiltonian matrix, the KohnSham equations are solved by direct diagonalization, with...

CheFSI
 Referenced in 16 articles
[sw22461]
 sparse diagonalization for solving the KohnSham equation. Firstprinciples {it density functional theory ... problem require a solution of the KohnSham equation, which requires one to solve...

VASP
 Referenced in 16 articles
[sw19550]
 density functional theory (DFT), solving the KohnSham equations, or within the HartreeFock...

ClusterES
 Referenced in 10 articles
[sw18311]
 most successful methods for solving the KohnSham equations for periodic systems  the planewave ... spectral method designed towards solving the KohnSham equations for clusters. This allows for efficient ... occupied eigenstates of the discretized KohnSham Hamiltonian is carried out using a combination...

Qprop
 Referenced in 10 articles
[sw00758]
 solution of the timedependent Schrödinger equation in single active electron approximation, Qprop allows ... solution of the timedependent KohnSham equations...

DGDFT
 Referenced in 7 articles
[sw41922]
 represent the solution to the KohnSham equations. The use of the ALB set provides ... represent the solution to the KohnSham problem for a desired level of accuracy...

COKOSNUT
 Referenced in 3 articles
[sw22274]
 quantum control problems governed by the KohnSham equation. This package includes a robust globalized ... numerical integration of the nonlinear KohnSham equations in two dimensions. Results of numerical experiments...

Dftatom
 Referenced in 3 articles
[sw08846]
 radial Schr”odinger, Dirac, and KohnSham equations is presented. The formulation admits general potentials...

DFTK
 Referenced in 2 articles
[sw41387]
 basic formulation it solves periodic KohnSham equations. The unique feature of the code...

RESCU
 Referenced in 3 articles
[sw18285]
 occupied KohnSham states is required, and solving accurately the KS equation using eigensolvers...

TOMBO
 Referenced in 1 article
[sw16832]
 mixedbasis approach, in which the KohnSham (KS) wave function is expressed ... that is needed to solve the KS equation is also presented...

Gmsh
 Referenced in 783 articles
[sw00366]
 Gmsh is a 3D finite element grid generator...

hypre
 Referenced in 334 articles
[sw00426]
 hypre is a software library for the solution...

ISOGAT
 Referenced in 318 articles
[sw00457]
 A tutorial 2D MATLAB code for solving elliptic...

LAPACK
 Referenced in 1713 articles
[sw00503]
 LAPACK is written in Fortran 90 and provides...

Maple
 Referenced in 5403 articles
[sw00545]
 The result of over 30 years of cutting...

Matlab
 Referenced in 13702 articles
[sw00558]
 MATLAB® is a highlevel language and interactive...

rbMIT
 Referenced in 146 articles
[sw00784]
 The rbMIT © MIT Software package implements in Matlab...

ScaLAPACK
 Referenced in 421 articles
[sw00830]
 ScaLAPACK is an acronym for scalable linear algebra...