Titlebook: Recent Progress in Coupled Cluster Methods; Theory and Applicati Petr Cársky,Josef Paldus,Jirí Pittner Book 2010 Springer Science+Business

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Peter Seidler,Ove Christiansenrmance indicators evaluate the quality of an obtained solution set in comparison with a pre-specified reference point set. Both indicators are based on the distance between a solution and a reference point. The Euclidean distance in an objective space is usually used for distance calculation. Our id

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Development Of Sac-Ci General-, Method For Theoretical Fine Spectroscopy,ent and some recent applications of the SAC-CI general-. method. We first explain the theoretical background of the general-. method and its analytical energy gradients. We overview some recent applications of the method to the molecular spectroscopies where the multi-electronic processes play an es

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Relativistic Four-Component Multireference Coupled Cluster Methods: Towards A Covariant Approach,culations of these systems. Their current status and perspectives for further development are reviewed, and representative applications are shown. Benchmarking requires continued improvement of the relativistic Hamiltonian towards the goal of a fully covariant description, as well as the development

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Block Correlated Coupled Cluster Theory With A Complete Active-Space Self-Consistent-Field Referenc) and a number of its applications for electronic structure calculations of molecules with multireference character. The CAS-BCCC method has the following features: (1) free of the intruder states; (2) invariant with respect to orbital rotations within separated orbital subspaces (occupied, active,

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A Possibility For a Multi-Reference Coupled-Cluster: The MrexpT Ansatz,lization of the single-reference coupled-cluster ansatz to the multi-reference case (despite a significant number of research activities in various groups this process is to be considered still unfinished) this chapter gives a brief overview of the literature and shortly discusses a few selected app

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Eclectic Electron-Correlation Methods,nic wave functions. A general theory is introduced to define a hierarchy of systematic electron-correlation approximations that use two or three of these expansion types. It encompasses coupled-cluster and equation-of-motion coupled-cluster methods and generates various perturbation corrections ther