• PROFESS

  • Referenced in 6 articles [sw04202]
  • calculations Orbital-free density functional theory (OFDFT) is a first principles quantum mechanics method ... with respect to the electron density. No orbitals are used in the evaluation ... method scales nearly linearly with the size of the system. The PRinceton Orbital-Free Electronic...
  • ATLAS

  • Referenced in 1 article [sw18242]
  • functional theory. Orbital-free density functional theory (OF-DFT) is a promising method for large...
  • ATLAS

  • Referenced in 194 articles [sw00056]
  • This paper describes the Automatically Tuned Linear Algebra...
  • TRON

  • Referenced in 106 articles [sw04714]
  • TRON is a trust region Newton method for...
  • BRENT

  • Referenced in 391 articles [sw14021]
  • BRENT Algorithms for Minimization Without Derivatives. BRENT is...
  • fhi98PP

  • Referenced in 10 articles [sw17871]
  • Ab initio pseudopotentials for electronic structure calculations of...