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Recent Advances in Multireference Method
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Recently, accurate ab initio quantum computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a whole new area and has also had a profound impact on the potential of theoretical chemistry.

The multiconfigurational SCF (MCSCF)/CASSCF method is an attempt to generalize the Hartree-Fock (HF) model and to treat real chemical processes, where nondynamic correlation is important, while keeping the conceptual simplicity of the HF model as much as possible. Although MCSCF/CASSCF itself does not include dynamic correlations, it provides a good starting point for such studies. There are three approaches to handling dynamic correlations. Beginning with the MSSCF/CASSCF wave function, they are the variational (MRCI), perturbational (MRPT) and cluster expansion (MRCC) approaches.

This important book presents the most recent and important developments in multireference-based approaches and their applications. Its main purpose is to highlight essential aspects of the frontiers of multireference theory and provide readers with the fundamental knowledge necessary for further development.

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The configuration-driven approach for multireference configuration interaction calculations, R.J. Buenker and S. Krebs; multi-reference parturbation theory, E.R. Davidson and A.A. Jarzexki; response theories based on a state-specific multireference coupled cluster formalism, S. Chattopadhyay et al; multireference couple pair approximation - a state-universal approach of a CEPA type variant of MRSDCI, K. Tanaka et al; analytic energy gradients for second-order multiference perturbation theory, H. Nakano et al; multiconfigurational perturbation theory applied to excited states of organic compounds, M. Merchan et al; weak overlap and spin recouping - applications of the CAS SCF method, M. Dupuis and A. Marquez

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