CCL: Norming energies of different entities...

 Sent to CCL by: Roy Jensen [rjensen^consol.ca]
 Okay...this is good...
 >E = 0.000 for the total energy is when all nuclei and all electrons are
 >moved to an infinite distances from each other.
 How would I calculate the difference between E = 0 for C2 and E = 0
 for N2? This will solve my problem of vertically scaling the MO
 energies.
  Dr. Roy Jensen
 (==========)-----------------------------------------¤
  Chemistry, Grant MacEwan College
  Edmonton, AB    T5J 4S2
  780.633.3915
 On Thu, 9 Mar 2006 17:04:22 -0500, you wrote:
 >Sent to CCL by: Brian Salter-Duke [b_duke,octa4.net.au]
 >On Wed, Mar 08, 2006 at 10:41:35PM -0500, Roy Jensen rjensen^^^consol.ca
 wrote:
 >> Sent to CCL by: Roy Jensen [rjensen]*[consol.ca]
 >> All
 >>
 >> A pedagogical question...
 >>
 >> Given calculations on a series of diatomic entities -- B2, C2, N2, O2,
 >> and F2 -- is there any way to know how the orbital energies relate
 >> between these species? I want to create a figure that accurately
 >> presents all the MO diagrams.
 >
 >I am not sure what you want here.
 >
 >> On a second note, what does zero energy (E = 0.0000 Hartree)
 >> correspond to?
 >
 >E = 0.000 for the total energy is when all nuclei and all electrons are
 >moved to an infinite distances from each other.
 >
 >Regards, Brian.
 >
 >
 >> Thanks,
 >>  Dr. Roy Jensen
 >> (==========)-----------------------------------------¤
 >>  Chemistry, Grant MacEwan College
 >>  Edmonton, AB    T5J 4S2
 >>  780.633.3915>
 >>
 >>