(a) Give an example of an uncharged molecule for which the CCSD(T)(full)/cc-pVQZ energy is the same as...
Question:
(b) Give an example of an uncharged molecule for which the CCSD(T)(FC)/cc-pVQZ is exactly the same as the CCSD(FC)/cc-pVQZ energy but the CCSD(full)/cc-pVQZ energy differs from the CCSD(T)(full)/cc-pVQZ energy.
(c) Give an example of an uncharged molecule for which the CCSD energy in the CBS limit equals the exact nonrelativistic energy.
Fantastic news! We've Found the answer you've been seeking!
Step by Step Answer:
a If the molecule has only two electrons then triple excitations are not possible and the CCSD an...View the full answer
Answered By
Tamil Elakkiya Rajendran
I'm currently involved in the research in the field of Biothermodynamics, Metabolic pathway analysis and computational Biology. I always prefer to share my knowledge whatever I have learnt through my degree whenever time permits.
2+ Reviews
10+ Question Solved
Related Book For 
Question Posted:
