Chapter 8: Problem 6
. If the first \(n-1\) eigenfunctions of a particular hamiltonian are known, write a formal expression for a variation-method trial function that could be used to get an upper limit on the \(n\) th energy level.
Short Answer
Expert verified
\( \phi_n = \phi - \sum_{i=1}^{n-1} \left( \int \psi_i^* \phi \, dx \right) \psi_i \)
Step by step solution
01
Understanding the Hamiltonian and Eigenfunctions
A Hamiltonian is an operator corresponding to the total energy of a system. The eigenfunctions of a Hamiltonian are the solutions to the equation: \[ H \, \psi_i = E_i \, \psi_i \]Where \( H \) is the Hamiltonian, \( \psi_i \) are the eigenfunctions, and \( E_i \) are the corresponding eigenvalues (energy levels). Given the first \( n-1 \) eigenfunctions, identify these functions as \( \psi_1, \psi_2, ..., \psi_{n-1} \).
02
Constructing the Trial Function
To construct a trial function for the nth energy level, select a function that is orthogonal to the known \( n-1 \) eigenfunctions. This can be expressed formally as: \[ \phi_n = \phi - \sum_{i=1}^{n-1} c_i \psi_i \]Where \( \phi \) is an arbitrary function, and \( c_i \) are coefficients to ensure orthogonality.
03
Ensuring Orthogonality
Apply the orthogonality condition that the trial function must satisfy: \[ \int \psi_i^* \phi_n \, dx = 0 \quad \text{for} \; i = 1, 2, ..., n-1 \]This ensures that \( \phi_n \) is orthogonal to each of the first \( n-1 \) eigenfunctions.
04
Calculating the Coefficients
Determine the coefficients \( c_i \) by projecting \( \phi \) onto each \( \psi_i \): \[ c_i = \int \psi_i^* \phi \, dx \]This ensures the orthogonality of \( \phi_n \) to each of the first \( n-1 \) eigenfunctions.
05
Variational Trial Function
Substitute the coefficients back into the trial function expression to get: \[ \phi_n = \phi - \sum_{i=1}^{n-1} \left( \int \psi_i^* \phi \, dx \right) \psi_i \]This is the formal expression for the variation-method trial function that can be used to estimate an upper limit on the nth energy level.
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Key Concepts
These are the key concepts you need to understand to accurately answer the question.
Hamiltonian operator
The Hamiltonian operator is central in quantum mechanics. It represents the total energy of the system, including both kinetic and potential energy components. Mathematically, it is denoted by the symbol \(H\). When we solve the Schrödinger equation with this operator, we get both the wavefunctions (also called eigenfunctions) and corresponding energy levels (or eigenvalues). An example of its usage in the Schrödinger equation is:
\[ H \, \psi_i = E_i \, \psi_i \]
Here, \( \psi_i \) are the eigenfunctions and \( E_i \) are the corresponding energy eigenvalues.
\[ H \, \psi_i = E_i \, \psi_i \]
Here, \( \psi_i \) are the eigenfunctions and \( E_i \) are the corresponding energy eigenvalues.
Eigenfunctions
Eigenfunctions are special solutions to the equation involving the Hamiltonian. When the Hamiltonian operator acts on an eigenfunction, the result is the same eigenfunction multiplied by a constant (the eigenvalue). This constant represents the energy level associated with that eigenfunction.
In the context of our problem, the first \( n-1 \) eigenfunctions are known, and they correspond to the first \( n-1 \) energy levels. We usually denote these eigenfunctions as \( \psi_1, \psi_2, ... , \psi_{n-1} \). To find the nth energy level, we need to construct a trial function orthogonal to these known eigenfunctions.
In the context of our problem, the first \( n-1 \) eigenfunctions are known, and they correspond to the first \( n-1 \) energy levels. We usually denote these eigenfunctions as \( \psi_1, \psi_2, ... , \psi_{n-1} \). To find the nth energy level, we need to construct a trial function orthogonal to these known eigenfunctions.
Orthogonality in quantum mechanics
Orthogonality is a crucial concept in quantum mechanics. It ensures that different eigenfunctions correspond to different energy levels and do not interfere with each other. Mathematically, two functions are orthogonal if their inner product (integral of their product over all space) is zero.
For eigenfunctions \( \psi_i \) and \( \psi_j \), orthogonality is expressed as:
\[ \int \psi_i^* \psi_j \, dx = 0 \quad \text{for} \; i \eq j \]
In our problem, the trial function \( \phi_n \) must be orthogonal to the known \( n-1 \) eigenfunctions. This requirement ensures that the trial function is appropriate for estimating the nth energy level.
For eigenfunctions \( \psi_i \) and \( \psi_j \), orthogonality is expressed as:
\[ \int \psi_i^* \psi_j \, dx = 0 \quad \text{for} \; i \eq j \]
In our problem, the trial function \( \phi_n \) must be orthogonal to the known \( n-1 \) eigenfunctions. This requirement ensures that the trial function is appropriate for estimating the nth energy level.
Variational principle
The variational principle is a powerful method used to estimate the ground state energy of a quantum system. It states that any trial wavefunction \( \phi \) will give an energy expectation value that is an upper bound to the true ground state energy. Mathematically, this can be written as:
\[ E \leq \langle \phi | H | \phi \rangle \quad \text{for any trial function} \; \phi \]
To apply this principle to our problem, we use a carefully chosen trial function that is orthogonal to the known eigenfunctions. The trial function can be written formally as:
\[ \phi_n = \phi - \sum_{i=1}^{n-1} \left( \int \psi_i^* \phi \, dx \right) \psi_i \]
This ensures it is orthogonal to the first \( n-1 \) eigenfunctions. Evaluating the expectation value of the Hamiltonian with this trial function will give an upper limit to the nth energy level.
\[ E \leq \langle \phi | H | \phi \rangle \quad \text{for any trial function} \; \phi \]
To apply this principle to our problem, we use a carefully chosen trial function that is orthogonal to the known eigenfunctions. The trial function can be written formally as:
\[ \phi_n = \phi - \sum_{i=1}^{n-1} \left( \int \psi_i^* \phi \, dx \right) \psi_i \]
This ensures it is orthogonal to the first \( n-1 \) eigenfunctions. Evaluating the expectation value of the Hamiltonian with this trial function will give an upper limit to the nth energy level.
Energy eigenvalues
Energy eigenvalues are the possible measured values of energy for a quantum system. When you solve the Schrödinger equation for a system's Hamiltonian, you get a set of eigenvalues, each corresponding to an eigenfunction.
The goal of our exercise is to find a formal expression for a trial function that can provide an upper estimate for the nth energy eigenvalue. The energy eigenvalues are related to the stability and behavior of the quantum system, influencing everything from atomic spectra to chemical reactions.
By constructing a trial function \( \phi_n \) that is orthogonal to the known eigenfunctions and applying the variational principle, we achieve a means to estimate the nth energy eigenvalue:
\[ E_n \leq \frac{\langle \phi_n | H | \phi_n \rangle}{\langle \phi_n | \phi_n \rangle} \]
This formula helps us compute an upper limit for the nth energy level, which is useful in various quantum mechanical applications.
The goal of our exercise is to find a formal expression for a trial function that can provide an upper estimate for the nth energy eigenvalue. The energy eigenvalues are related to the stability and behavior of the quantum system, influencing everything from atomic spectra to chemical reactions.
By constructing a trial function \( \phi_n \) that is orthogonal to the known eigenfunctions and applying the variational principle, we achieve a means to estimate the nth energy eigenvalue:
\[ E_n \leq \frac{\langle \phi_n | H | \phi_n \rangle}{\langle \phi_n | \phi_n \rangle} \]
This formula helps us compute an upper limit for the nth energy level, which is useful in various quantum mechanical applications.