Can NWCHEM search MECP like GAMESS
Forum Vet
11:50:37 PM PDT - Mon, May 6th 2019
Can NWCHEM search MECP, perhaps regardless of spin and space symmetry differences and perhaps through MCSCF or TDDFT, which is necessary for PESes, which is a
feature
in GAMESS?
Forum Vet
5:19:13 PM PDT - Sun, May 26th 2019
Experimental data should be found if the search is successful.
Forum Vet
3:50:40 AM PDT - Thu, Aug 15th 2019
The process is a little like the search of a transition state.
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