Re: CCL:TDDFT on G03: negative transition energies

 > I have done some B3lyp TDDFT calculations on some
 > transition metal complexes and I have obtained some
 > negative excitation energies . Does it make sense or
 > it is an error of the code? Has anyone come across the
 > same problem?
 This means that what you have got as a reference state in your calculation
 is THE EXCITED STATE, and there is at least one lower-energy electronic
 state (the TRUE ground state) at the given level of theory.
 S. Gorelsky
  Dr S.I. Gorelsky, Department of Chemistry, Stanford University
  Box 155, 333 Campus Drive, Stanford, CA 94305-5080 USA
  Phone: (650) 723-0041. Fax: (650) 723-0852.