CCL: Excited state electronic configurations

[polosan silviu <spol68^-^yahoo.com>]

What kind of command line you used? I mean method and basic set?

 

Silviu

"Caroline Norris cn29---sussex.ac.uk" <owner-chemistry_._ccl.net> wrote:

Sent to CCL by: "Caroline Norris" [cn29::sussex.ac.uk]
Dear All,
I am in the process of calculating the potential energy curves of the lowest lying excited state of neutral vanadium oxide, and I was wondering if there's any way to determine the electronic configuration of the excited states. I've been using the pop=npa keyword, but this only details the ground state of the complex. Any help would be greatly appreciated.
Thanks in advance,
Caroline Norris
cn29::sussex.ac.uk


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Dr.
 Silviu POLOSAN
Faculty of
  Engineering, Kyoto Sangyo University, Kyoto 603-8555, Japan
e-mails:
 polosan_._cc.kyoto-su.ac.jp;
         silv_._infim.ro

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