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Stationary response with exponential transformation: A perturbative analysis for molecular static propertiesNCL Comm. No. 5873. (1995)

Ghose, Keya Basu

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 53 (1995), S. 275-286

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: We present here a perturbative analysis of the coupled cluster response method for molecular static properties with Euler and extended coupled cluster functionals under cubic truncation. Comparative analysis is meant to cater to both pedagogical and practical interests. Comprehensive tables for energy-derivative expressions and equations at the stationary point are presented. © 1995 John Wiley & Sons, Inc.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560530304

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