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Chemistry · Glossary

What is Particle in a box, free-electron model?

Also known as: particle in a box · free-electron model

Definition 1.11 University Chemistry — Year 3 · Chapter 1 — Quantum Mechanics for Chemists: Model Systems

A particle in a box moves freely (V=0V = 0) between x=0x = 0 and x=Lx = L and cannot leave (V=∞V = \infty outside). The free-electron model of a conjugated molecule treats its π\pi electrons as independent particles in a box whose length is that of the conjugated chain.

The first four levels of a particle in a box, each function drawn on its own level (dashed). Left: _n, with n - 1 nodes inside the box. Right: the probability density | _n|2. The first four levels of a particle in a box, each function drawn on its own level (dashed). Left: _n, with n - 1 nodes inside the box. Right: the probability density | _n|2.
The first four levels of a particle in a box, each function drawn on its own level (dashed). Left: ψn\psi_n, with n−1n - 1 nodes inside the box. Right: the probability density ∣ψn∣2|\psi_n|^2.
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