Radial distribution function

Let's imagine you have a bunch of marbles in a box. When you look at them, you might notice that some of the marbles are closer together than others. Some marbles might only be touching one or two others, while some might be touching five or six.

Now, let's pretend that the marbles are actually atoms in a molecule, and we want to understand how they are arranged. We can figure this out using something called the radial distribution function.

The radial distribution function is like a map that tells us how dense the molecules are at different distances from a central atom. Imagine taking the central atom and putting it in the middle of a circle. Then, we draw rings around the atom at different distances. For each ring, we count how many atoms are inside the ring.

Now, we make a graph of the results. The x-axis of the graph will show the distance from the central atom, and the y-axis will show the density of atoms at that distance.

The graph will usually look like a bell curve. This means that there are more atoms that are close to the central atom than far away. The highest point on the graph is called the peak, and it tells us how close the nearest atoms are to the central atom.

By looking at the shape of the curve, we can learn a lot about how the atoms are arranged. We can see if there are any patterns or if the atoms are randomly distributed. This is really helpful for scientists who study molecules, because it helps them understand how the molecules interact with each other.