Chemistry Code

I'm studying chemistry and wrote the following code to calculate electron configuration by element symbol:

(defun electron-configuration (n)
  (let* ((os '(s p d f g h i))
         (r nil)
         (y 0)
         (i 0))
    (print n)
    (while (< i n)
      (dotimes (k (+ y 1))
        (let ((x (- y k)))
          (when (and (>= (- y (* 2 x)) 0) (> (- n i) 0))
            (let* ((orbital-capacity (* 2 (+ 1 (* x 2))))
                   (inc (min (- n i) orbital-capacity)))
              (push (list (- (+ y 1) x) (nth x os) inc) r)
              (incf i inc)))))
      (incf y))
    (nreverse r)))

is it correct? what orbitals should go after f?

>>16
That is because the high school text book only wants to give the analytical model. You are right, in reality the orbitals are not spherical and the models can only be solved numerical. But when simplifying the model they are spherical.

It is kinda sad, but we are unable to solve most differential equations. We can interpret a lot of the behaviour of the solution (by looking at the phase plane for example or linearising an equation or by maximizing or minimizing its energy), but cannot pen the solution down. If there is a function describing the solution at all.


This is a open directory with a syllabus of differential equations: http://www.math.umn.edu/~olver/am_/

It is quite good for a syllabus and shows you how you derive certain properties from an equation even if you don't have the exact solution. If you view it as puzzle, then it can be quite fun, especially phase plane pictures are interesting, because they will visualize the behaviour of the system. Phase plane pictures are pictures, where the derivative is represented by an arrow to where it points. This way you can find saddle points, vortexes etc.