Contents

• Background for Schrödinger's equation
• Updated Operators
  • cI()
  • cJ()
  • O()
  • L()
  • cIdag()
  • cJdag()
  • Debugging
  
  
• Energy calculation: ``sch.m'' and ``getE.m''
  • Setup of the potential
  • diagouter()
  • getE()
  
  
• Gradient calculation
  • Diagprod()
  • H()
  • getgrad()
  
  
• Solution of Schrödinger's equation using steepest descents: sd()
  • Initialize W
  • sd()
  • getPsi()
  
  
• Final solution: ``sch.m''
• Density functional theory: ``dft.m''
  • Background
  • Implementation strategy: ``dft.m''
  • Occupancies
  • Hartree theory
  • Full density-functional theory
  • Quantum dot
  
  
• ``viewmid.m''
• ``fdtest.m''
• ``smooth.m''
• ``ppm.m''
• ``excVWN.m''
• ``excpVWN.m''