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Practice problems on the quantum mechanics of atoms and molecules

  1. The 2s and 3s electronic wavefunctions of the hydrogen atom have radial nodes, i.e. values of tex2html_wrap_inline54 where the radial probability density goes through zero. Locate the values of r at which these nodes occur. Give exact answers. The wavefunctions are

    eqnarray27

    Hint: No integration is required to solve this problem.

  2. Calculate the average potential energy of a hydrogen atom in the tex2html_wrap_inline58 state. The normalized wavefunction is

    displaymath60

    Hints: Maple will need to know that tex2html_wrap_inline62 . The volume element in spherical polar coordinates is tex2html_wrap_inline64 . The variables run over the following ranges: tex2html_wrap_inline66 , tex2html_wrap_inline68 , tex2html_wrap_inline70 .

  3. The ground-state wavefunction of a harmonic oscillator is

    displaymath72

    where tex2html_wrap_inline74 . Normalize this wavefunction. Report your normalization factor in terms of tex2html_wrap_inline76 .

    Hint: Don't define tex2html_wrap_inline76 in your Maple session but do tell Maple that this parameter is positive.

  4. Suppose that trigonometric functions had not yet been invented. We would then not be able to solve the particle-in-a-box model exactly. Suppose that we solved it using the following trial wavefunction:

    displaymath80

    What is the percent error in the ground-state energy using this trial wavefunction?

    Reminder: The particle-in-a-box ground-state energy is tex2html_wrap_inline82 .



Marc Roussel
Tue Nov 10 16:09:45 MST 1998