The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.
Datta D, Mukherjee D.
Datta D, et al.
J Chem Phys. 2011 Feb 7;134(5):054122. doi: 10.1063/1.3537740.
J Chem Phys. 2011.
PMID: 21303107
In this paper, we develop a rigorously spin-adapted version of Mukherjee's state-specific multireference coupled cluster theory (SS-MRCC, also known as Mk-MRCC) [U. S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys. 110, 6171 (1999)] for reference spaces compr …
In this paper, we develop a rigorously spin-adapted version of Mukherjee's state-specific multireference coupled cluster theory (SS-MRCC, al …