Virtual Winter School on Computational Chemistry

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Mathematics in quantum chemistry: selected topics


The main objective of this presentation is to introduce to you some mathematical tools and concepts helpful to understand the foundations of quantum chemistry. We will start with a somewhat unusual approach to the hydrogen atom, resulting in the obvious quantization conditions for angular momentum and energy. Later we try to extend this approach to a few-electron systems with particular focus on the analytical approach and on the algebraization techniques. The ultimate goal of the presentation will be to review the existing wave-function based quantum chemical techniques from the mathematical perspective.

Recorded presentation