| Title |
Second-order Rayleigh–Schrödinger perturbation theory for the Grasp2018 package |
| Authors |
Gaigalas, Gediminas ; Rynkun, Pavel ; Kitovienė, Laima |
| DOI |
10.3390/atoms14050040 |
| Full Text |
|
| Is Part of |
Atoms.. Basel : MDPI. 2026, vol. 14, iss. 5, art. no. 40, p. [1-40].. eISSN 2218-2004 |
| Keywords [eng] |
Perturbation theory ; valence–valence correlations ; core–valence correlations ; core correlations ; core–core correlations |
| Abstract [eng] |
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. |
| Published |
Basel : MDPI |
| Type |
Journal article |
| Language |
English |
| Publication date |
2026 |
| CC license |
|
