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Coulomb-Sturmians and molsturm

Yesterday I gave a talk at our annual group retreat at the Darmst├Ądter Haus in Hirschegg, Kleinwalsertal. For this talk I expanded the slides from my lazy matrix talk in Kiel, incorporating a few of the more recent Coulomb-Sturmian results I obtained.

Most importantly I added a few slides to highlight the issues with standard contracted Gaussians and to discuss the fundamental properties of the Coulomb-Sturmians. Furthermore I gave some details why a contraction-based scheme is advantageous if Coulomb-Sturmian basis functions are employed and discussed the design of our molsturm program package and how it allows to perform calculations in a fully contraction-based manor.

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Coulomb-Sturmians and molsturm (Slides Kleinwalsertal talk) Creative Commons License