Two questions

Hello!
I have two questions about DFT.
1. Will it be implemented periodic DFT calculations?
2. Will it be implemented transition state theory in MRCC?
Many thanks.

Hello!

1) The implementation of transnational symmetry is not among our short term goals.
With MRCC you can only consider various embedding schemes (continuum, QM/MM, DFT embedding, local correlation embedding...) in cluster models.
There are many periodic DFT codes. Please, let us know what feature of MRCC's DFT code are you interested in for more specific suggestions.

2) The geometry optimization of transition states is planned in the near future. You can, of course take TS structures from different codes are utilize MRCC DFT features on those. Again, it would be very interesting to know for a more specific reply, which MRCC specific DFT features do you need?

I hope this helps,
Peter