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Comparison of low-order multireference many-body perturbation theories.
Chaudhuri RK, Freed KF, Hose G, Piecuch P, Kowalski K, Włoch M, Chattopadhyay S, Mukherjee D, Rolik Z, Szabados A, Tóth G, Surján PR. Chaudhuri RK, et al. Among authors: mukherjee d. J Chem Phys. 2005 Apr 1;122(13):134105. doi: 10.1063/1.1863912. J Chem Phys. 2005. PMID: 15847453
The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.
Datta D, Mukherjee D. Datta D, et al. Among authors: mukherjee d. 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 space …
In this paper, we develop a rigorously spin-adapted version of Mukherjee's state-specific multireference coupled cluster theory (SS-M …
A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments.
Mao S, Cheng L, Liu W, Mukherjee D. Mao S, et al. Among authors: mukherjee d. J Chem Phys. 2012 Jan 14;136(2):024105. doi: 10.1063/1.3672083. J Chem Phys. 2012. PMID: 22260562
The perturbative theory emerges in the development as a result of a physically appealing quasi-linearization of a rigorously size-extensive state-specific multi-reference coupled cluster (SSMRCC) formalism [U. S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys. …
The perturbative theory emerges in the development as a result of a physically appealing quasi-linearization of a rigorously size-extensive …
2,128 results