November 14, 2025ChemistryOpen Access

A General Formalism for Electromagnetic Response Based on Quasi-Energy Derivatives Within a Single-Determinant Framework

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Discussion

Theoretical framework provides gauge-invariant evaluations of (hyper)polarizabilities across optical responses.

Electromagnetic properties are described using quasi-energy derivatives under dynamic perturbations.
Key findings demonstrate gauge-invariance in magnetic properties influenced by gauge transformations.
Methodology utilizes a formalism based on nonrelativistic single-determinant principles for response analysis.
Framework suggests broad applicability for evaluating response properties within quantum systems.

Liu et al. (2025) studied this question.

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