Question: (a) Give an example of an uncharged molecule for which the CCSD(T)(full)/cc-pVQZ energy is the same as the CCSD(full)/cc-pVQZ energy. (b) Give an example of
(a) Give an example of an uncharged molecule for which the CCSD(T)(full)/cc-pVQZ energy is the same as the CCSD(full)/cc-pVQZ energy.
(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.
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a If the molecule has only two electrons then triple excitations are not possible and the CCSD an... View full answer
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