If we do not have to show the derivation and go straight in placing those
expressions in the matrix, can we treat the matrix as a template or formula,
that it is always the case? THE DETERMINANT/MATRIX WILL DEPEND ON HOW MANY ATOMS ARE PRESENT IN YOUR MOLECULE AND HOW THOSE ATOMS OVERLAP. FOR EXAMPLE, THE DETERMINANT FOR BUTADIENE THAT I SHOWED LAST TIME WILL BE DIFFERENT FROM THAT, SAY, WITH THE CYCLOBUTADIENYL DICATION OR OTHER MOLECULE. When does it become beta and when does it become 0? THIS IS ALSO EXPLAINED IN THE 2ND ARTICLE (entitled: Hucel Method) IVE ATTACHED (see pp. 3-4 under mathematics of the Huckel Method). A SIMPLE EXPLANATION for THIS IS BY CONSIDERING 1,3-BUTADIENE EXAMPLE BELOW. CONSIDER THE OVERLAP/INTERACTION OF ATOM 1 (C-1) WITH ITS NEIGHBOR(S). NOTICE THAT IT CAN ONLY HAVE OVERLAP/INTERACTION WITH ATOM 2 (C-2). YOU USE -E FOR ASSIGNING A VALUE FOR THE ATOM YOU ARE CONSIDERING (IN THIS CASE, C-1). Then you assign to the atom that C-1 has overlap/interaction with (which in this case is C-2). Since C-1 does not have interactions with C-3 and C-4, then you assign a value of 0 (zero) for C-3 and C-4. Next, when considering the overlap/interaction of C-2, we now assign a value of -E for C-2. Notice also it that can overlap/interact with C-3 and C-1 but not with C-4. Then you assign a value of for C-1 and C-3 and a value of 0 for C-4. Etc.. Set-up the secular determinant: