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
|Coulomb-Sturmians and molsturm (Slides Kleinwalsertal talk)|