[DFTB-Plus-User] Transition Dipole Between MOs

tccliweiqi tccliweiqi at hit.edu.cn
Wed Jan 6 22:25:53 CET 2016


Can DFTB+ calculate the excited states of the molecule?


2016-01-07 



tccliweiqi 



发件人: Xuyan Ru 
发送时间: 2016-01-07  04:34:43 
收件人: dftb-plus-user at mailman.zfn.uni-bremen.de 
抄送: 
主题: [DFTB-Plus-User] Transition Dipole Between MOs 
 
Hi All,
 
I am currently using dftb+ to do some calculations, and I need the transition dipole between MOs, can somebody tell me how to show it in the output?
 
Thanks,
Xuyan
 
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