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Self-consistent calculations electrodynamics

Highly-ionized atoms DHF calculations on isoelectronic sequences of few-electron ions serve as the starting point of fundamental studies of physical phenomena, though many-body corrections are now applied routinely using relativistic many-body theory. Relativistic self-consistent field studies are used as the basis of investigations of systematic trends in ionization energies [137-144], radiative transition probabilities [145-148], and quantum electrodynamic corrections [149-151] in few-electron systems. Increased experimental precision in these areas has driven the development of many-body methods to model the electron correlation effects, and the inclusion of Breit interaction in the evaluation of both one-body and many-body corrections. [Pg.191]

Two general theoretical approaches have been applied in the analysis of heterogeneous materials. The macroscopic approach, in terms of classical electrodynamics, and the statistical mechanics approach, in terms of charge-density calculations. The first is based on the application of the Laplace equation to calculate the electric potential inside and outside a dispersed spherical particle (11, 12). The same result can be obtained by considering the relationship between the electric displacement D and the macroscopic electric field Em a disperse system (12,13). The second approach takes into account the coordinate-dependent concentration of counterions in the diffuse double layer, regarding the self-consistent electrostatic poton tial of counterions via Poisson s equation (5, 16, 17). Let us consider these approaches briefly. [Pg.113]

Thus, at the modern level of the relativistic electronic structure theory, the problem of defining ground states of elements heavier than 122 remains. Very accurate correlated calculations of the ground states with inclusion of the quantum electrodynamic (QED) effects at the self-consistent field (SCF) level are needed in order to reliably predict the future shape of the Periodic Table. At the time of writing, an accepted version of the Table is that of Fig. 1, with the superactinides comprising elements Z = 122 through 155 as suggested in [1, 2]. [Pg.139]


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Self-consistent calculations

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