Symmetry-Adapted Cluster- Configuration method

NakatsujI H and Nakal H 1990 Theoretical study on molecular and dissociative chemisorptions of an O2 molecule on an Ag surface dipped adcluster model combined with symmetry-adapted cluster-configuration interaction method Chem. Phys. Lett. 174 283-6... 

The plan of this chapter is as follows. The next section briefly reviews the CC formalism for the ground state. This is necessary since the LR-CC and EOM-CC approaches start from the CC ground state description. It also introduces some notation that will be used in later sections. Next, the basics of the exact EOM-CC approach are derived, showing how an eigensystem is arrived at. After some aspects of characterizing an electronic transition, EOM-/LR-CC methods that have been developed and implemented are surveyed. The next section presents a numerical assessment of some of the main methods. Finally, a few illustrative applications are summarized. Some aspects of EOM-CC methods are discussed in Chapter 2. The symmetry-adapted cluster configuration interaction (SAC-CI) method can be related to EOM-CC methods. The SAC-CI method and several impressive applications thereof are described in Chapter 4. 

Nakatsuji H, Hasegawa J, Hada M (1996) Excited and ionized states of free base porphin studied by the symmetry adapted cluster-configuration interaction (SAC-CI) method. J Chem Phys 104 2321-2329. 

EXPLORING PHOTOBIOLOGY AND BIOSPECTROSCOPY WITH THE SAC-CI (SYMMETRY-ADAPTED CLUSTER-CONFIGURATION INTERACTION) METHOD... 

Nakatani N, Hasegawa J, Nakatsuji H. Red light in chemiluminescence and yellow-green light in bioluminescence Color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction method. J Am Chem Soc 2007 129 8756-65. 

Symmetry adapted cluster configuration interaction method (SACCl), 38, 54 Symmetry adapted cluster method (SAC), 10... 

T. Momose, H. Nakatsuji, and T. Shida, J. Chem. Phys., 91, 6205 (1988). Calculation of Hyperfine Splitting Constants with Slater-Type Cusp Bases by the Symmetry-Adapted Cluster-Configuration Interaction Method. 

Theoretical studies have played important roles in clarifying the excited states, in particular, of high-symmetry systems. The excited-state calculations with the configuration interaction based on the symmetry-adapted cluster expansion (SAC-CI) method [1, 2] have given reasonable and reliable assignments for experimental absorption spectra [3]. The SAC-CI method is a linear-response theory using the... 

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