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arXiv · 2609.29272

Second-Order Rayleigh-Schrödinger Perturbation Theory for the Grasp

G. Gaigalas·P. Rynkun·L. Kitovienė
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Abstract

A developed method, based on the stationary second-order Rayleigh-Schrödinger many-body perturbation theory in an irreducible tensorial form, allows us to determine the most important core-valence, core, core-core, and valence-valence correlations for any atom or ion with an arbitrary number of valence and core electrons. This paper presents the Feynman diagrams that describe these correlations. Additionally, it provides the rules for obtaining algebraic expressions in an irreducible tensorial form for any Feynman diagram coming from second-order many-body perturbation theory. Whereas some types of the valence-valence and core-valence correlations are described by the three-particle Feynman diagrams, additional developments to calculate the spin-angular parts of these diagrams have been made to the program library librang of the Grasp2018. As an example of the application of the developed method, the atomic calculations of the energy level structure and transition data for Ar II are presented.

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G. Gaigalas, P. Rynkun, L. Kitovienė. 2026-09-24. Second-Order Rayleigh-Schrödinger Perturbation Theory for the Grasp. https://doi.org/10.3390/atoms14050040

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