Contents

• Advanced techniques for numerical minimization
  • sd()
  • lm()
  • K()
  • pclm()
  • pccg()
  • Final comparison of techniques
  
  
• Density functional theory: ``dft.m''
  • Background
  • Implementation strategy: ``dft.m''
  • Occupancies
  • Hartree theory
  • Full density-functional theory
  • Quantum dot
  
  
• Density functional calculation of molecules
  • Nuclear-nuclear potential energy
  • Electron-nuclear potential (-Z/r)
  • Hydrogen molecule
  
  
• ``excVWN.m''
• ``excpVWN.m''