Relativistic random phase approximation

To account for the interchannel coupling, or, which is the same, electron correlation in calculations of photoionization parameters, various many-body theories exist. In this paper, following Refs. [20,29,30,33], the focus is on results obtained in the framework of both the nonrelativistic random phase approximation with exchange (RPAE) [55] and its relativistic analogy the relativistic random phase approximation (RRPA) [56]. RPAE makes use of a nonrelativistic HF approximation as the zero-order approximation. RRPA is based upon the relativistic Dirac HF approximation as the zero-order basis, so that relativistic effects are included not as perturbations but explicitly. Both RPAE and RRPA implicitly sum up certain electron-electron perturbations, including the interelectron interaction between electrons from... 

Next the results from the relativistic random-phase approximation (RRPA) and the many-body perturbation theory (MBPT), also shown in Table 5.1, will be discussed. Because both calculations include basically the same electron-electron interactions, rather good agreement exists, and it is sufficient to concentrate only on the RRPA model. 

The relativistic or non-relativistic random-phase approximation (RRPA or RPA)t is a generalized self-consistent field procedure which may be derived making the Dirac/Hartree-Fock equations time-dependent. Therefore, the approach is often called time-dependent Dirac/Hartree-Fock. The name random phase comes from the original application of this method to very large systems where it was argued that terms due to interactions between many alternative pairs of excited particles, so-called two-particle-two-hole interactions ((2p-2h) see below) tend to... 

The results of a spin-polarization measurement of xenon photoelectrons with 5p5 2P3/2 and 5p5 2P1/2 final ionic states are shown in Fig. 5.21 together with the results of theoretical predictions. Firstly, there is good agreement between the experimental data (points with error bars) and the theoretical results (solid and dashed curves, obtained in the relativistic and non-relativistic random-phase approximations, respectively). This implies that relativistic effects are small and electron-electron interactions are well accounted for. (In this context note that the fine-structure splitting in the final ionic states has also to be considered in... 

An important advantage of hrst method is the possibility of using different expressions for the atomic potential, and the calculations can be done not only for a purely Coulomb interaction, but in the multiconhguration interaction approximation, the Hartree-Fock-Dirac approximation, and the relativistic random phase approximation with exchange effects. The most exact relativistic calculations were done in [12] for the polarizability of the ground state of a helium-like atom. 

Figure 17. Theoretical K-shell photoabsorption cross section of Argon showing the hydro-genic (Hyd), Hartree-Slater (HS) and relativistic random phase approximation (RRPA) results (From Ref 69 )...

In the paragraphs below we review some of the recent progress on relativi tlc many-body calculations which provide partial answers to the first of these questions and we also describe work on the Brelt Interaction and QED corrections which addresses the second question. We begin in Section IT with a review of applications of the DF approximation to treat inner-shell problems, where correlation corrections are insignificant, but where the Breit Interaction and QED corrections are important. Next, we discuss, in Section III, the multiconfiguration Dirac-Fock (MCDF) approximation which is a many-body technique appropriate for treating correlation effects in outer shells. Finally, in Section IV, we turn to applications of the relativistic random-phase approximation (RRPA) to treat correlation effects, especially in systems involving continuum states. 

The Pd closed-shell ground state (4d ° S) was treated by some further methods, comprising also relativistic ones a = 2.9 (coupled HF approximation 0 = 1.00073) [9], 3.1 (relativistic random-phase approximation (RPA) = generalization of coupled HF) [1], 4.928 (relativistic Hartree-Fock-Slater (HFS) = 2.086) [10]. 

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