COUPLED-CLUSTER THEORY: AN OVERVIEW OF RECENT DEVELOPMENTS
1995; Linguagem: Inglês
10.1142/9789812832115_0005
ISSN1793-0766
Autores ResumoAdvanced Series in Physical ChemistryModern Electronic Structure Theory, pp. 1047-1131 (1995) No AccessCOUPLED-CLUSTER THEORY: AN OVERVIEW OF RECENT DEVELOPMENTSRodney J. BartlettRodney J. BartlettQuantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611, USAhttps://doi.org/10.1142/9789812832115_0005Cited by:293 (Source: Crossref) PreviousNext AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail Abstract: The following sections are included: Introduction Basic Considerations in Coupled-Cluster Theory Outline of Procedures for Derivation of Explicit Coupled-Cluster Equations Normal-Product Hamiltonian Energy Equations Amplitude Equations Factorized Equations Generalized Many-Body Perturbation Theory Simplified CC Methods for Triple and Quadruple Excitations Iterative Methods Non-Iterative Methods Open-Shell Applications Coupled-Cluster Energy Functional Coupled-Cluster Treatment of Properties Excited States Comparison with Exact Results EOM-CC for Properties and Oscillator Strengths Excited States of Ethylene Acknowledgments Appendix A. 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