Does anyone know of a good code-oriented book on molecular electronic structure theory?
I've been looking for a good modern book that teaches how to write SCF code to solve simple cases of the kind of problem that standard quantum chemistry packages (e.g. Gaussian, Orca) are used for without...
I appologise in the lack of distinction between curly d's and infinitesimals! All derivatives are partial and anything outside of brackets is an infinitesimal.
also, I sincerely apologise for any dodgy terminology, but I am for the most part self taught (regarding calculus) :/
(also, 0 is my...
yeah it was. I got those correctly using the function I 'borrowed' from the solution manual, but I didn't use mine because I assumed it was wrong lol :P
thanks a lot for the help (:
embarassingly, I had been stuck with this for a couple hours lol... :/
Thankyou (:
> The solutions manual, however, used an algebraic trick that is commonly useful.
I apologise for asking, but would you mind sharing the trick with me? (:
Homework Statement
What function represents the distance between the point P(1, 2, 2) and any point on the sphere
x^2 + y^2 + z^2 = 1?
Homework Equations
My solutions manual says that the answer is f = (x - 1)^2 + (y - 2)^2 + (z - 2)^2
The Attempt at a Solution
I tried...