Redefined vacuum approach and gauge-invariant subsets in two-photon-exchange diagrams for a closed-shell system with a valence electron

Soguel, R. N.; Volotka, A. V.; Tryapitsyna, E. V.; Glazov, D. A.; Kosheleva, V. P.; Fritzsche, S.

doi:10.1103/physreva.103.042818

Cited by 8 publications

(14 citation statements)

References 54 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Figure 1b. Here one should notice, that this contribution differs by the minus sign from the valence-electron case [43]. It comes from the overall minus sign for the hole states case, see Equation (33).…”

Section: First-order Contributionsmentioning

confidence: 89%

“…It means that the screened radiative contributions obtained as a difference between the redefined and the standard vacuum expressions also form the same gauge-invariant subsets. Explicit proof of this statement has been performed for the two-photon-exchange subsets in the case of one-valence-electron in Reference [43].…”

Section: Screened Radiative Correctionsmentioning

confidence: 91%

“…In view of the experimental interest, our investigations will be focused on the one-hole state (A h ≡ h, see Equation ( 39)). Special attention will be paid to allocation of the gauge invariant subsets, which is the key feature of the developed formalism, as was demonstrated previously for the one-valence-electron case [43]. It provides us with efficient and consistent tool to verify the results.…”

Section: Many-electron Qedmentioning

confidence: 97%

“…The next step is the identification of the one-electron twoloop radiative corrections. Details concerning this procedure are rather similar to the one-valence-electron case, which we considered in Reference [43]. For this reason, we do not provide here the full-length derivation and restrict ourselves to the presentation of final formulas.…”

Section: Second-order Contributionsmentioning

confidence: 99%

“…Following the motivation outlined above, in our recent paper [43], we have derived the two-photon-exchange contribution within the redefined vacuum QED approach for the case of an atom with a single electron above closed shells. The current work aims to formulate the redefined vacuum approach within the rigorous bound-state QED framework for an arbitrary state.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Many-Electron QED with Redefined Vacuum Approach

et al. 2021

Self Cite

View full text Add to dashboard Cite

The redefined vacuum approach, which is frequently employed in the many-body perturbation theory, proved to be a powerful tool for formula derivation. Here, we elaborate this approach within the bound-state QED perturbation theory. In addition to general formulation, we consider the particular example of a single particle (electron or vacancy) excitation with respect to the redefined vacuum. Starting with simple one-electron QED diagrams, we deduce first- and second-order many-electron contributions: screened self-energy, screened vacuum polarization, one-photon exchange, and two-photon exchange. The redefined vacuum approach provides a straightforward and streamlined derivation and facilitates its application to any electronic configuration. Moreover, based on the gauge invariance of the one-electron diagrams, we can identify various gauge-invariant subsets within derived many-electron QED contributions.

show abstract

Section: First-order Contributionsmentioning

confidence: 89%

Section: Screened Radiative Correctionsmentioning

confidence: 91%

Section: Many-electron Qedmentioning

confidence: 97%

Section: Second-order Contributionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Many-Electron QED with Redefined Vacuum Approach

et al. 2021

Self Cite

View full text Add to dashboard Cite

show abstract

Theoretical investigation of the structural, optoelectronic, and the application of waste graphene oxide/polymer nanocomposite as a photosensitizer

Agobi

Louis

Ekpunobi

et al. 2022

Mater. Res. Express

View full text Add to dashboard Cite

The negligence of used waste polymers often results in the waste of resources and constitutes serious environmental pollutants. Therefore, it becomes necessary to practically provide a means of converting these waste polymers to useful resources. For this purpose, the potential applicability of some selected waste polymers as the active photosensitizer material in dye-sensitized solar cells were exploited using density functional theory. In this research work, density function theory (DFT) is applied to investigate the interaction of graphene oxide (GO) with monomers of Polypyrrole (PPy), Poly (phenylene vinylene) (PPV), Poly(vinyl alcohol) (PVA), and Polyvinyl Pyrrolidone (PVP) polymers. The geometrical structures of the hybridized nanocomposites GO-PPy, GO-PPV, GO-PVA, and GO-PVP are fully optimized at wB97XD/6–311++G(d,p) computational method. All of the nanocomposites’ optoelectronic properties, the excitation type and the wavelengths, oscillator strengths, as well as the dominant transitions were calculated. Atoms-in-molecules (AIM) and natural bond orbital (NBO) analysis were used to analyze the strength and nature of the composites. The results of the ground state energy gap revealed that the hybridized nanocomposites are semiconducting in nature while the 3.7020 eV energy gap of the GO-PVA makes it the most stable among the various nanocomposites. The thermodynamic calculation of the various nanocomposites shows that the GO-PVA nanocomposite is highly endothermic among the various nanocomposites with free energy value of 353.71kcal mol−1. The results of the density of state (DOS) analysis show that the p-orbitals in all of the different nanocomposites had the highest density contribution to the frontier molecular orbitals, and are also found to dominate the anti-bonding states densities.

show abstract