Chapter 11: Problem 24
Take as a trial function for the ground state of the hydrogen atom (a) e\(k r\), (b) \(\mathrm{e}^{-k r}\) and use the variation principle to find the optimum value of \(k\) in each case. Identify the better wavefunction. The only part of the laplacian that need be considered is the part that involves radial derivatives (eqn 9.5).
Short Answer
Step by step solution
Review of the Variational Principle
Consideration of the Trial Functions
Expression for the Expectation Value of H
Evaluation with First Trial Function \(\psi(a)\)
Evaluation with Second Trial Function \(\psi(b)\)
Minimization of \(\langle H \rangle_{b}\) with Respect to \(k\)
Determination of the Better Wavefunction
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Key Concepts
These are the key concepts you need to understand to accurately answer the question.
Trial Wavefunction
For instance, in solving for the hydrogen atom's ground state energy, one might use trial wavefunctions like \( \psi(a) = e^{kr} \) or \( \psi(b) = e^{-kr} \) where \( k \) is a parameter that we adjust to minimize the expected energy. The key to selecting an efficient trial wavefunction is to ensure it has the right symmetry and behavior at the appropriate limits (\( r \rightarrow 0 \) and \( r \rightarrow \infty \) for an atom).
Ground State Energy
Using the variational method, we compute the Hamiltonian expectation value for different trial wavefunctions and adjust our parameters to find the minimum possible energy. This energy is the best estimate for the ground state energy given the constraints and form of the trial wavefunction. Since the true ground state energy of the hydrogen atom is known from Schrödinger's equation, in practice, this method helps to check the effectiveness of different trial wavefunctions.
Hamiltonian Expectation Value
The expectation value provides a method to calculate the energy levels of a quantum system using trial wavefunctions. It is crucial in the variational principle to determine the lowest energy state, or ground state, of the system. Calculating this expectation value for different trial wavefunctions and varying parameters, we can estimate the ground state energy of a system by finding the minimum value of \( \langle H \rangle \) as it approaches closer to the true energy of the system.
Hydrogen Atom Wavefunction
In the context of the variational principle, a chosen trial wavefunction, such as \( \psi(b) = e^{-kr} \) from the textbook example, is an approximation to this true wavefunction. Through optimization of the parameter \( k \), we seek to find the best approximation which will yield the lowest Hamiltonian expectation value, thus estimating the ground state energy and simulating the behavior of the actual hydrogen atom wavefunction.