As a simple example, we will expand our molecular orbital as a linear combination of just two atomic orbitals (this could, for example, be the two 1s AOs in the hydrogen molecule):

 

                                                                        (5)

 


Now substituting into eq. 2 we obtain:

                  (6)  

 

Eq. 6 now simplifies to give:

 

                                        (9)

 

This can be rewritten in the form:

 

                     (10)

 

Now differentiating eq.10 with respect to c1 we obtain:

 

       (11)

 

We now set  to obtain:

                                                (12)

 

If we differentiate eq.10 with respect to c2 we obtain the equation :

 

                                            (13)

 

 

Secular equations and secular determinants