CCL: delta-scf and TDDFT
- From: "Ding Xunlei" <dxl##ustc.edu.cn>
- Subject: CCL: delta-scf and TDDFT
- Date: Mon, 19 Sep 2005 21:59:52 +0800
Sent to CCL by: "Ding Xunlei" [dxl##ustc.edu.cn]
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Dear chemistry,
http://www.scm.com/adflist/0294.html
There is a discussion about the delta-scf and TDDFT.
According to it, I think that the excited energy of the singlets obtained by
TDDFT need not correction using the formula:
E (singulet) = 2 E (s+t) - E (triplet). Am I right?
Can anybody give a a little more explanation?
Yours sincerely,
Ding Xunlei
2005-09-19
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