BIRS Workshop Lecture Videos

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BIRS Workshop Lecture Videos

On the ANOVA decomposition of high–dimensional functions with applications to chemistry Griebel, Michael

Description

We discuss the ANOVA decomposition of functions and certain generalizations. We then em- ploy these dimension–wise decompositions to the Schr ̈odinger equation. Here, for the electronic equation, the well-known CI approach results. For the full equation, we obtain our new BOSSANOVA fragmentation approach from of the Born–Oppenheim energy hypersurface with additional knowledge on the bonds of a molecule. We will discuss its properties in detail.

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Attribution-NonCommercial-NoDerivs 2.5 Canada