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- W2471208897 abstract "A number of discrete potential energy surfaces are available in the literature for a variety of triatomic molecules [1–3]. The construction of a discrete potential energy surface is not a trivial exercise, since care must be taken in: the design of the basis set; the configuration interaction (CI) methodology employed; the design of the geometrical grid for the calculations. Of these, the latter is the possibly the least understood, although recently von Nagy-Felsobuki and coworkers [3–4] have generated grid points using an adaptive scheme based on the quadrature algorithm used for the potential energy integrator (see Chapters VI and VII).KeywordsPotential Energy SurfaceConfiguration InteractionCouple ClusterFull Configuration InteractionGaussian Type FunctionThese keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves." @default.
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- W2471208897 date "1993-01-01" @default.
- W2471208897 modified "2023-09-23" @default.
- W2471208897 title "Discrete Potential Energy Surfaces" @default.
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- W2471208897 doi "https://doi.org/10.1007/978-3-662-05561-8_3" @default.
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