Why TDDFT can calculate S1 excited state?

From: Xia Liu <xil991_at_email.domain.hidden>
Date: Mon, 27 Jun 2005 10:28:23 -0600

Hi everybody,

I am confused by one question: why TDDFT is able to predict the absorption
spectrum of B band but unable for Q band for porphyrine series molecules.
Anyone who knows the answer?

Thanks a lot in advance for your reply.

Best regards,

Xia
Received on 2005-06-27 18:27:36

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