Hello, I'm looking for the method for creating odd electron density plots from some of the diradical compounds my lab is exploring. I've read some papers and I know some of the background behind it, particularly that the equation to calculate them is as follows.
ρodd = y ×{|φ HONO^2| + |φ LUNO^2| }
The main problem I have is that I do not know how to implement this equation. Is this something that requires the use of a program like Matlab or can this be done in more UI driven software like Avogadro or Gaussview? I have a moderate amount of skill with computers so I could probably implement what ever method is required to produce the graphs, I just need to know how. Thank you for any help you can offer.