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math-ph2009
Asymptotics-based CI models for atoms: properties, exact solution of a minimal model for Li to Ne, and application to atomic spectra
Gero Friesecke, Benjamin D. Goddard
Configuration-Interaction (CI) models are approximations to the electronic Schrödinger equation which are widely used for numerical electronic structure calculations in quantum che…
math-ph2008★ 1 cited
Explicit large nuclear charge limit of electronic ground states for Li, Be, B, C, N, O, F, Ne and basic aspects of the periodic table
Gero Friesecke, Benjamin D. Goddard
This paper is concerned with the Schrödinger equation for atoms and ions with N=1 to 10 electrons. In the asymptotic limit of large nuclear charge , we determine explicitly the…