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Chemistry LibreTexts

3: The Schrödinger Equation and a Particle in a Box

The particle in a box model (also known as the infinite potential well or the infinite square well) describes a particle free to move in a small space surrounded by impenetrable barriers. The model is mainly used as a hypothetical example to illustrate the differences between classical and quantum systems. In classical systems, for example a ball trapped inside a large box, the particle can move at any speed within the box and it is no more likely to be found at one position than another. However, when the well becomes very narrow (on the scale of a few nanometers), quantum effects become important. The particle may only occupy certain positive energy levels. The particle in a box model provides one of the very few problems in quantum mechanics which can be solved analytically, without approximations. This means that the observable properties of the particle (such as its energy and position) are related to the mass of the particle and the width of the well by simple mathematical expressions. Due to its simplicity, the model allows insight into quantum effects without the need for complicated mathematics. It is one of the first quantum mechanics problems taught in undergraduate physics courses, and it is commonly used as an approximation for more complicated quantum systems.

Thumbnail: The quantum wavefunction of a particle in a 2D infinite potential well of dimensions \(L_x\) and \(L_y\). The wavenumbers are \(n_x=2\) and \(n_y=2\). Image used with permission (Public Domain; Inductiveload).