Question
What is meant by the term ‘boundary surface diagram’?

Answer

A boundary surface is drawn in space for an orbital such that the value of probability density $\left(\psi^2\right)$ is constant and encloses a region where the probability of finding electron is typically more than $90 \%$. Such a boundary surface diagram is a good representation of shape of an orbital.
e.g. Boundary surface diagram of $\mathrm{Is}$ and $2 \mathrm{~s}$ orbitals are spherical in shape.

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