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Updated: May 9, 2026

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
Published on: August 19, 2021
Communication: Spectral representation of the Lamb shift for atomic and molecular calculations
1Dirac Solutions, 10527 NW Lost Park Drive, Portland, Oregon 97229, USA. diracsolutions@gmail.com
Abstract:
A spectral representation of the self-energy based on hydrogenic atomic data is examined for its usefulness to evaluate the self-energy of many-electron atoms, and thus its potential for molecular calculations. Use of the limited hydrogenic data with a diagonal projection overestimates the valence self-energy by an order of magnitude. The same diagonal projection for the vacuum polarization produces a similar overestimate, but a full projection produces values that are within a factor of 2 of the exact value, as does a density-fitting procedure.
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