Titlebook: Correlation and Localization; Péter R. Surján,R. J. Bartlett,S. Vogtner Book 1999 Springer-Verlag Berlin Heidelberg 1999 Electron Korrelat

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https://doi.org/10.1007/3-540-48972-XElectron Korrelation; Elektron Korrelation; Organic Chemistry; Organische Chemie; Theoretische Chemie; th

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Correlation and Localization978-3-540-48972-6Series ISSN 0340-1022 Series E-ISSN 1436-5049

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Lawrence D. Longo,Lawrence P. Reynoldsrastically reduced the computation time at the cost of a very small reduction in accuracy, is introduced. A review of the applications of the extended geminal models to studies of intermolecular interactions is given, and the neon dimer is considered in more detail to illustrate the properties of these models.

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Xiang Wang,Xiang Yu,Bin Zhou,Yan JiaThe concept of extremal electron pairs is discussed in the context of coupled-cluster theory and the MP2-R12 method. Using extremal pairs the numerical stability of R12-methods is considerably improved, which is demonstrated for CCSD(T)-R12 calculations of the molecules F., N., and Be..

Control-Group

,Extremal Electron Pairs — Application to Electron Correlation, Especially the R12 Method,The concept of extremal electron pairs is discussed in the context of coupled-cluster theory and the MP2-R12 method. Using extremal pairs the numerical stability of R12-methods is considerably improved, which is demonstrated for CCSD(T)-R12 calculations of the molecules F., N., and Be..

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Péter R. Surján,R. J. Bartlett,S. VogtnerThis series presents critical reviews of the present position and future trends in modern chemical research.Short and concise reports on chemistry, each written by the world renowned experts.Still val

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Topics in Current Chemistryhttp://image.papertrans.cn/c/image/238769.jpg

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Xiang Wang,Xiang Yu,Bin Zhou,Yan Jian quantum chemical computations of the molecular electronic structure, being capable of attaining chemical accuracy for many molecular properties of interest. While the widely exploited single reference (SR) singles and doubles CC method (CCSD) is remarkably efficient in handling dynamic correlation

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