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This paper explores the utility of the quantum phase estimation (QPE) incalculating high-energy excited states characterized by promotions of electronsoccupying inner energy shells. These states have been intensively studied overthe last few decades especially in supporting the experimental effort at lightsources. Results obtained with the QPE are compared with various high-accuracymany-body techniques developed to describe core-level states. The feasibilityof the quantum phase estimator in identifying classes of challenging shake-upstates characterized by the presence of higher-order excitation effects is alsodiscussed.

Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states