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Schrӧdinger Equation


H^ψ=Eψ\bf\hat{H}\psi=E\psi
Ĥ: Hamiltonian
Ψ: Wavefunction
E: Total Energy

  • For all but the simplest systems this equation cannot be solved analytically (exactly) but very good approximations can be obtained by computational methods.

  • The wavefunction of a system, Ψ, can be used with a variety of operators to predict properties
  • While the wavefunction does not have much of a “physical meaning”, the square of the wavefunction Ψ2 gives the probability distribution of electron density.