Last Updated on June 13, 2025 by Dr. Sushanta Barman
Derivation of Wave Functions in a 2D Infinite Well
To derive the wave function for a particle in a 2D infinite potential well, we start by considering a quantum mechanical particle confined within a rectangular region of space with infinite potential walls.
This means that the particle is trapped in a box where it cannot escape, and its wave function must satisfy certain boundary conditions imposed by the walls of the well.
Dimensions of the Infinite Well
- The potential well has a length \( L_x \) in the \( x \)-direction and a length \( L_y \) in the \( y \)-direction.
- Inside the well (for \( 0 \leq x \leq L_x \) and \( 0 \leq y \leq L_y \)), the potential \( V(x, y) = 0 \).
- Outside the well, the potential \( V(x, y) = \infty \).
Schrödinger Equation:
The time-independent Schrödinger equation for a particle of mass \( m \) confined in a 2D infinite potential well is given by:
\[ -\frac{\hbar^2}{2m} \left( \frac{\partial^2 \psi(x, y)}{\partial x^2} + \frac{\partial^2 \psi(x, y)}{\partial y^2} \right) = E \psi(x, y), \]
where \( \hbar \) is the reduced Planck’s constant, \( \psi(x, y) \) is the wave function of the particle, and \( E \) is the energy of the particle.
Separation of Variables
To solve the Schrödinger equation, we use the method of separation of variables. We assume the solution can be written as a product of two functions, one depending only on \( x \) and the other only on \( y \):
\[\psi(x, y) = X(x) Y(y).\]
Substituting this into the Schrödinger equation gives:
\[-\frac{\hbar^2}{2m} \left( \frac{d^2 X(x)}{dx^2} Y(y) + X(x) \frac{d^2 Y(y)}{dy^2} \right) = E X(x) Y(y).\]
Dividing both sides by \( X(x) Y(y) \), we obtain:
\[-\frac{\hbar^2}{2m} \left( \frac{1}{X(x)} \frac{d^2 X(x)}{dx^2} + \frac{1}{Y(y)} \frac{d^2 Y(y)}{dy^2} \right) = E.\]
Since the left side is a sum of two terms, one depending only on \( x \) and the other only on \( y \), each term must be equal to a constant. Let’s denote these separation constants by \( E_x \) and \( E_y \) such that:
\[\frac{1}{X(x)} \frac{d^2 X(x)}{dx^2} = -\frac{2mE_x}{\hbar^2}, \quad \frac{1}{Y(y)} \frac{d^2 Y(y)}{dy^2} = -\frac{2mE_y}{\hbar^2}.\]
Thus, the total energy \( E \) of the system is:
\[E = E_x + E_y.\]
Solution in the \( x \)-Direction
The differential equation for \( X(x) \) is:
\[\frac{d^2 X(x)}{dx^2} + \frac{2mE_x}{\hbar^2} X(x) = 0.\]
This is a standard form of the second-order differential equation whose solutions are sinusoidal functions:
\[X(x) = A \sin\left(k_x x\right) + B \cos\left(k_x x\right),\]
where \( k_x = \sqrt{\frac{2mE_x}{\hbar^2}} \).
To satisfy the boundary conditions:
\( \psi(x, y) = 0 \) at \( x = 0 \) and \( x = L_x \),
We find:
- At \( x = 0 \): \( X(0) = A \sin(0) + B \cos(0) = B = 0 \Rightarrow B = 0 \).
- At \( x = L_x \): \( X(L_x) = A \sin(k_x L_x) = 0 \).
For a non-trivial solution, \( A \neq 0 \), so:
\[k_x L_x = n_x \pi, \quad \text{where } n_x = 1, 2, 3, \ldots\]
Thus, \( k_x = \frac{n_x \pi}{L_x} \), and the solution for \( X(x) \) becomes:
\[X(x) = A \sin\left( \frac{n_x \pi x}{L_x} \right).\]
Solution in the \( y \)-Direction
Similarly, for the \( y \)-direction, the differential equation for \( Y(y) \) is:
\[\frac{d^2 Y(y)}{dy^2} + \frac{2mE_y}{\hbar^2} Y(y) = 0,\]
with solutions:
\[Y(y) = C \sin\left(k_y y\right) + D \cos\left(k_y y\right),\]
where \( k_y = \sqrt{\frac{2mE_y}{\hbar^2}} \).
Applying the boundary conditions:
\( \psi(x, y) = 0 \) at \( y = 0 \) and \( y = L_y \),
We find:
- At \( y = 0 \): \( Y(0) = C \sin(0) + D \cos(0) = D = 0 \Rightarrow D = 0 \).
- At \( y = L_y \): \( Y(L_y) = C \sin(k_y L_y) = 0 \).
For a non-trivial solution, \( C \neq 0 \), so:
\[k_y L_y = n_y \pi, \quad \text{where } n_y = 1, 2, 3, \ldots\]
Thus, \( k_y = \frac{n_y \pi}{L_y} \), and the solution for \( Y(y) \) becomes:
\[Y(y) = C \sin\left( \frac{n_y \pi y}{L_y} \right).\]
The General Solution for the Wave Function
The general solution for the wave function \( \psi(x, y) \) is the product of the solutions in the \( x \)- and \( y \)-directions:
\[\psi(x, y) = X(x) Y(y) = A C \sin\left( \frac{n_x \pi x}{L_x} \right) \sin\left( \frac{n_y \pi y}{L_y} \right).\]
Normalization of the Wave Function
The normalization condition requires that the total probability of finding the particle in the well is 1:
\[\int_0^{L_x} \int_0^{L_y} |\psi(x, y)|^2 \, dx \, dy = 1.\]
Substitute the wave function:
\[\int_0^{L_x} \int_0^{L_y} A^2 C^2 \sin^2\left( \frac{n_x \pi x}{L_x} \right) \sin^2\left( \frac{n_y \pi y}{L_y} \right) \, dx \, dy = 1.\]
Separate the integrals:
\[A^2 C^2 \left( \int_0^{L_x} \sin^2\left( \frac{n_x \pi x}{L_x} \right) \, dx \right) \left( \int_0^{L_y} \sin^2\left( \frac{n_y \pi y}{L_y} \right) \, dy \right) = 1.\]
Each integral evaluates to \( \frac{L_x}{2} \) and \( \frac{L_y}{2} \) respectively, so:
\[A^2 C^2 \left( \frac{L_x}{2} \right) \left( \frac{L_y}{2} \right) = 1.\]
Solving for \( A C \):
\[A C = \frac{2}{\sqrt{L_x L_y}}.\]
Thus, the normalized wave function is:
\[\psi(x, y) = \frac{2}{\sqrt{L_x L_y}} \sin\left( \frac{n_x \pi x}{L_x} \right) \sin\left( \frac{n_y \pi y}{L_y} \right).\]
Energy Levels
The energy levels of the particle in the 2D infinite well are given by:
\[E_{n_x, n_y} = \frac{\hbar^2 \pi^2}{2m} \left( \frac{n_x^2}{L_x^2} + \frac{n_y^2}{L_y^2} \right), \quad \text{where } n_x, n_y = 1, 2, 3, \ldots\]
Conclusion
The wave function \( \psi(x, y) \) describes the quantum state of a particle confined in a 2D infinite potential well, and the energy levels are quantized based on the quantum numbers \( n_x \) and \( n_y \). The derived wave function shows the sinusoidal nature of the probability amplitude, with nodes determined by the quantum numbers, reflecting the particle’s confinement within the well.
Dr. Sushanta Barman is a Postdoctoral Fellow at the Tata Institute of Fundamental Research, working on quantum physics and matter-wave phenomena. Through MatterWaveX, he shares articles on modern physics, quantum technology, and scientific simulations.