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Asymptotics-Based CI Models for Atoms: Properties, Exact Solution of a Minimal Model for Li to Ne, and Application to Atomic Spectra
Configuration-interaction (CI) models are approximations to the electronic Schrödinger equation which are widely used for numerical electronic structure calculations in quantum chemistry. Based on our recent closed-form asymptotic results for the full atomic Schrödinger equation in the limit of fixed electron number and large nuclear charge [SIAM J. Math. Anal., …