Pl help me in understanding how to calculates excited states of a molecule.
what should be written in % section, route section and title section.
Mrs/Miss/Mr Bharadvaja ,
Via TDDFT or CIS(D) methodologies.
Any method
Mrs/Miss/Mr Bharadvaja,
Here (test files with procedures): http://www.cup.uni-muenchen.de/ch/compchem/testindex.html.
In particular, please pay attention to test033, test143, test144, test399, test400, test460, and test568.
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