• KSSOLV

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

  • Referenced in 20 articles [sw22333]
  • computer code that solves the Kohn-Sham equations by expressing electron wave-functions directly ... sparsity of the Hamiltonian matrix, the Kohn-Sham equations are solved by direct diagonalization, with...
  • CheFSI

  • Referenced in 16 articles [sw22461]
  • sparse diagonalization for solving the Kohn-Sham equation. First-principles {it density functional theory ... problem require a solution of the Kohn-Sham equation, which requires one to solve...
  • VASP

  • Referenced in 16 articles [sw19550]
  • density functional theory (DFT), solving the Kohn-Sham equations, or within the Hartree-Fock...
  • ClusterES

  • Referenced in 10 articles [sw18311]
  • most successful methods for solving the Kohn-Sham equations for periodic systems - the plane-wave ... spectral method designed towards solving the Kohn-Sham equations for clusters. This allows for efficient ... occupied eigenstates of the discretized Kohn-Sham Hamiltonian is carried out using a combination...
  • Qprop

  • Referenced in 10 articles [sw00758]
  • solution of the time-dependent Schrödinger equation in single active electron approximation, Qprop allows ... solution of the time-dependent Kohn-Sham equations...
  • DGDFT

  • Referenced in 7 articles [sw41922]
  • represent the solution to the Kohn-Sham equations. The use of the ALB set provides ... represent the solution to the Kohn-Sham problem for a desired level of accuracy...
  • COKOSNUT

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

  • Referenced in 3 articles [sw08846]
  • radial Schr”odinger, Dirac, and Kohn-Sham equations is presented. The formulation admits general potentials...
  • DFTK

  • Referenced in 2 articles [sw41387]
  • basic formulation it solves periodic Kohn-Sham equations. The unique feature of the code...
  • RESCU

  • Referenced in 3 articles [sw18285]
  • occupied Kohn-Sham states is required, and solving accurately the KS equation using eigensolvers...
  • TOMBO

  • Referenced in 1 article [sw16832]
  • mixed-basis approach, in which the Kohn-Sham (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 high-level 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...