[CHM 331] The BLUE equations

[Andrew J. Pounds]

So I told you I wanted to check on something to help you...

When you start dealing with computations that do include angular terms 
(p, d, f orbitals) then you have to use the blue equations and not the 
pink equations on page 468.   The issue is that the blue equations on 
page 468 are still in their COMPLEX form.  The analogous equations are 
on page 470 in real form.  Please understand -- you can use whichever 
set you want just make sure that if you use the ones on page 468 that 
you use the complex conjugate of the wavefunction at the appropriate 
part of the integration.



-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj