[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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