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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Coupled Cluster Treatment Of Intramonomer Correlation Effects In Intermolecular Interactions,ymmetry-adapted perturbation theory (SAPT) calculations. These intramonomer correlation effects have initially been taken into account by employing M? ller-Plesset perturbation theory, i.e., using the SAPT(MP) method, and more recently by applying density functional theory within the SAPT(DFT) appro

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Coupled Clusters and Quantum Electrodynamics,y we have implemented them. The covariant-evolution-operator method that we introduced more recently for quantum-electrodynamical (QED) calculations is then described, and it is demonstrated how this method can be extended to combine electron-correlation and QED effects in a covariant manner. This c

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Intermediate Hamiltonian Formulations of the Fock-Space Coupled-Cluster Method: Details, Comparisonrticle systems. Their applicability is, however, limited to the cases when the degree of quasi-degeneracy is rather weak. Unfortunately, their generalization to multi-reference cases, that would enable us to deal efficiently with quasi-degenerate and open-shell systems turned out nontrivial. The dif

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Coupled Cluster Calculations: Ovos as an Alternative Avenue Towards Treating Still Larger Moleculesective is to show that the OVOS is a tool that allows extending the applicability of Coupled Cluster calculations to larger systems with larger basis sets it was possible before. We describe some instruments which serve as a measure of the accuracy of the CC calculation upon the OVOS truncation supp

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Multireference Coupled-Cluster Methods: Recent Developments,our own research. Although MR CC methods have been around for almost three decades and much work has been expended on their development and implementation, no general purpose codes are presently available. In view of the complexity, inherent difficulties, and computational demands of both genuine va

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Vibrational Coupled Cluster Theory,ppenheimer approximation. The first part of this chapter introduces the basic foundations of the theory, including the vibrational self-consistent field method and an appropriate second quantization formalism. The VCC method is then defined and shown to provide good accuracy when compared with vibra

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