TDDFT on G03: negative transition energies
- From: Ricardo Oliveira <organicjewellery-.at.-yahoo.com>
- Subject: TDDFT on G03: negative transition energies
- Date: Thu, 2 Jun 2005 05:54:38 -0700 (PDT)
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?
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