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8 papers · 2 filters
Second-Order Rayleigh-Schrödinger Perturbation Theory for the Grasp
G. Gaigalas, P. Rynkun, L. Kitovienė
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 import…
Second-Order Rayleigh-Schrödinger Perturbation Theory for the GRASP2018 Package: Three-Particle Feynman Diagram Contribution to Core-Valence Correlations
G. Gaigalas, P. Rynkun, L. Kitovienė
In order to ascertain the precise atomic characteristics, it is important to incorporate a wide range of electron correlations in the computational analysis. However, it is importa…
Second-Order Rayleigh-Schrödinger Perturbation Theory for the GRASP2018 Package: Three-Particle Feynman Diagram Contribution to Valence-Valence Correlations
G. Gaigalas, P. Rynkun, L. Kitovienė
The method based on the second-order perturbation theory to identify the most important configuration state functions of the various correlations is extended to include valence-val…
Second-Order Rayleigh-Schrödinger Perturbation Theory for the GRASP2018 Package: Core-Core Correlations
G. Gaigalas, P. Rynkun, L. Kitovienė
Grasp package is based on the relativistic configuration interaction in which accurate calculations, accounting for valence, valence-valence, core-valence, core, and core-core elec…
Second-Order Rayleigh-Schrödinger Perturbation Theory for the GRASP2018 Package: Core Correlations
G. Gaigalas, P. Rynkun, L. Kitovienė
The paper presents a further development of the method G. Gaigalas, P. Rynkun, L. Kitovienė, Second-Order of Rayleigh-Schrödinger Perturbation Theory for the {\sc Grasp}2018 Packag…
Second-order Rayleigh-Schrödinger Perturbation Theory for the {\sc Grasp}2018 Package: Core-valence Correlations
G. Gaigalas, P. Rynkun, L. Kitovienė
The General Relativistic Atomic Structure package [{\sc Grasp}2018, C. Froese Fischer, G. Gaigalas, P. Jönsson, J. Bieroń, Comput. Phys. Commun. (2019), DOI: 10.1016/j.cpc.2018.10.…