3. (Reworded McQuarrie 8-2) Consider a trial function of the form (r) = e-ar² for the hydrogen atom. Using the variational method, show that the optimal value of a is given by a = 8/(97a), and evaluate the approximate energy. How does this compare to the exact energy? Side Comment: Trial functions for atoms/molecules often employ orbitals with the form e-ar² (instead of the ear form obtained from the hydrogen atom solution) because it makes the integrals easier, especially for molecules where you have orbitals on many different atoms mixing. е

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3. (Reworded McQuarrie 8-2) Consider a trial function of the form (r) = e-ar² for the hydrogen
atom. Using the variational method, show that the optimal value of a is given by a =
8/(97a), and evaluate the approximate energy. How does this compare to the exact energy?
Side Comment: Trial functions for atoms/molecules often employ orbitals with the form
e-ar²
(instead of the ear form obtained from the hydrogen atom solution) because it makes
the integrals easier, especially for molecules where you have orbitals on many different atoms
mixing.
е
Transcribed Image Text:3. (Reworded McQuarrie 8-2) Consider a trial function of the form (r) = e-ar² for the hydrogen atom. Using the variational method, show that the optimal value of a is given by a = 8/(97a), and evaluate the approximate energy. How does this compare to the exact energy? Side Comment: Trial functions for atoms/molecules often employ orbitals with the form e-ar² (instead of the ear form obtained from the hydrogen atom solution) because it makes the integrals easier, especially for molecules where you have orbitals on many different atoms mixing. е
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