[CHM 331] CHM 331

[Andrew J. Pounds]

On 10/12/2012 10:59 AM,  wrote:
> Hi Dr. Pounds. I've done the variational method problem, but my 
> energies are coming out with smaller magnitudes than the exact lowest 
> energy, which violates the variational principle. However, they're all 
> negative, so does that mean it's okay, since negative values with low 
> magnitudes are numerically larger than those with higher values?

Yes.  Think about graphing the energies.  The exact energy will be the 
lowest on the negative energy axis and the other values will approach it 
from above.

-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627

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