Unformatted text preview: positive, variationally optimize the value of in the trial function. Using Mathcad,
Using Mathcad to solve the equation above for at the minimum energy gives c. (5 points) Determine the variational energy of the trial wavefunction, and compare it to the
exact ground state energy of the H atom ( Simon). Plugging the optimized value of ; see Problem 619 in McQuarrie and into the expression for The variational energy is within ~40% of the exact energy. and simplifying in Mathcad gives...
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 Spring '14
 SteveMiller
 Physical chemistry, Atom, pH, Frequency, Mode shape, Secular Determinant

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