Re: TD-HF and TD-DFT oscillator strengths in Gaussian 98

Mike Frisch:
 > In fact, the oscillator strengths were originally incorrect for
 > TD-HF and TD-DFT but these have been fixed and are correct in
 > Revision A.7, which has been sent to all G98 licensees.  CIS
 > oscillator strengths were always correct.
 Dear Mike, thanks a lot for your message.  I need to know if the
 TD-DFT TRANSITION MOMENTS computed with Gaussian98w, Revision A.3,
 are correct?  I have computed a considerable number of electronic
 spectra with TD-B3LYP, using this revision, and would like to know if
 oscillator strengths recalculated from the printed transition moments
 would lead to the correct values, as suggested by Dominique
 Guillaumont <4405821 ( ( at ) ) cc.m-kagaku.co.jp>:
 > I also noticed that oscillator strength calculated with TDDFT in
 > G98 seem wrong. I have calculated oscillator strength from the
 > values of transition dipole moments mu given in g98, with the
 > formula f=2/3 deltaE mu2, and the values obtained for f are very
 > different than the ones given in the output and still in much
 > better agreement with what is expected.  ......
 Thank you very much!
 Yours, Jens >--<
 P.S. I posses a single user license to Gaussian98w, Revision A.3
 (2.Sep.1998). Nobody ever informed me that TD-HF and TD-DFT
 oscillator strengths were wrong, and Revision A.7 was never sent to
 me.
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