CCL: excited state optimization
- From: "yang zhen na" <yangzn553 a nenu.edu.cn>
- Subject: CCL: excited state optimization
Sent to CCL by: "yang zhen na" [yangzn553##nenu.edu.cn]
First,I don't know how to use cis-mp2 method to optimize the molecule, what
keywords should I input?
Second, how to use UHF method to optimize the molecule in neutral form in the
excited state? Is the charge and multiplicity zero and one respectively?
Third, how to search the energy of the molecule in the excited state in the
output file of optimization using cis method. That is to say which keywords
should I search, scf done or E(cis).
please help me, I need your help. thank you very much.