| 2:42:20 PM PDT - Tue, Apr 10th 2012 |
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Hi Alexander,
Yes. You need 6.1 for that feature. You can definitely use vectors with a hole.
However, the point of TDDFT core excitations is to be able to capture the relaxation because the electron-hole response is factored in via the response part of TDDFT. If you have a core-hole state to start with, you already have some response included. Give it a try.
Best regards,
-Niri
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