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- W2155472172 abstract "An eclectic combination of cluster, perturbation, and linear expansions often provides the most compact mathematical descriptions of molecular electronic 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 thereto, which, in some instances, reduce to the standard many-body perturbation methods. Some of these methods are also equipped with the ability to use basis functions of interelectronic distances via the so-called R12 and F12 schemes. Two computer algebraic techniques are devised to dramatically expedite implementation, verification, and validation of these complex electron-correlation methods. Numerical assessments support the unmatched utility of the proposed approximations for a range of molecular problems." @default.
- W2155472172 created "2016-06-24" @default.
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- W2155472172 date "2010-01-01" @default.
- W2155472172 modified "2023-10-16" @default.
- W2155472172 title "Eclectic Electron-Correlation Methods" @default.
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- W2155472172 doi "https://doi.org/10.1007/978-90-481-2885-3_8" @default.
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