Quantum Mechanical Origins

• Fundamental to everything is the Schrödinger equation

  • wave function
  • H = Hamiltonian operator
  • time independent form

• Born-Oppenheimer approximation

  • electrons relax very quickly compared to nuclear motions
  • nuclei move in presence of potential energy obtained by solving electron distribution for fixed nuclear configuration
    it is still very difficult to solve for this energy routinely
    
  • usually nuclei are heavy enough to treat classically

Nuclear coordinates

Electronic coordinates

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