Yesterday I gave a talk at our annual group retreat at the Darmstädter 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.
Link |
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Coulomb-Sturmians and molsturm (Slides Kleinwalsertal talk) |