Calculating the probability of finding an electron within a certain region in space is a key application of the radial distribution function. By integrating the RDF over a specified range, we determine the likelihood of the electron being located in that area.
To find the probability that an electron is within a sphere of radius \(a_0\), we integrate the RDF from 0 to \(a_0\):
- \(\int_0^{a_{0}} P(r)\, dr\)
This involves substituting the radial distribution function into the integral, resulting in:
- \(\int_0^{a_{0}} \left(4\pi r^2 \cdot \left(\frac{1}{\sqrt{\pi a_0^{3}}}e^{-r/a_0}\right)^2\right)\, dr\)
By solving this integral, we obtain the exact probability of finding the electron within a sphere of radius \(a_0\). The process is similar for a sphere of radius \(2a_0\), by adjusting the upper limit of integration to \(2a_0\).
These calculations give us a quantitative understanding of the electron's distribution around the nucleus.