scholarly journals Релятивистские расчеты химических свойств сверхтяжелого элемента с Z=119 и его гомологов

2021 ◽  
Vol 129 (7) ◽  
pp. 841
Author(s):  
И.И. Тупицын ◽  
А.В. Малышев ◽  
Д.А. Глазов ◽  
М.Ю. Кайгородов ◽  
Ю.С. Кожедуб ◽  
...  
Keyword(s):  
Quantum Electrodynamics ◽  
Alkali Metals ◽  
Theoretical Calculations ◽  
Chemical Properties ◽  
Relativistic Effects ◽  
Superheavy Element ◽  
Ionization Potentials ◽  
Many Body ◽  
Configuration Interaction Method ◽  
Many Body Perturbation Theory

Relativistic calculations of the electronic structure of the superheavy element of the eighth period - eka-francium (Z=119) and its homologues, which form the group of alkali metals, are performed in the framework of the configuration-interaction method and many-body perturbation theory using the basis of the Dirac-Fock-Sturm orbitals (DFS). The obtained values of the ionization potentials, electron affinities, and root-mean-square radii are compared with the corresponding values calculated within the non-relativistic approximation. A comparison with the available experimental data and the results of previous theoretical calculations is given as well. The analysis of the obtained results indicates a significant influence of the relativistic effects for the francium and eka-francium atoms, which leads to a violation of the monotonic behaviour of the listed above chemical properties as a function of the alkaline-element atomic number. In addition, the quantum electrodynamics corrections to the ionization potentials are evaluated by employing the model Lamb-shift operator (QEDMOD).

scholarly journals Atoms through the looking glass – a relativistic challenge

2008 ◽  
Vol 86 (1) ◽  
pp. 99-109 ◽  
Author(s):  
A.-M. Mårtensson-Pendrill
Keyword(s):  
Weak Interaction ◽  
Quantum Electrodynamics ◽  
Pair Correlation ◽  
Relativistic Effects ◽  
Electron Systems ◽  
Many Body ◽  
Heavy Atoms ◽  
Atomic Pair ◽  
Looking Glass ◽  
Relativistic Framework

The search for weak-interaction-induced atomic parity nonconservation, initiated in the 1970s, challenges both theory and experiment. Since the weak interaction is very short range, the atomic effects increase rapidly with nuclear charge, as Z3. The focus has thus been on heavy atoms, where relativistic effects are essential, and nuclear size must be taken into account. The generalization of atomic many-body methods to relativistic systems involved both computational and formal difficulties, incorporating methods developed in quantum electrodynamics. Twenty years ago, the ability to treat atomic pair correlation in a relativistic framework was emerging. The application to many-electron systems opened up for comparison with experiment for many atomic properties, such as isotope shifts, hyperfine structure, and hyperfine anomalies, which reflect nuclear properties. In addition, the search for simultaneous violation of both parity- and time-reversal symmetry involves different types of effects, including nuclear “Schiff moments”. Comparison between computed and experimental results for highly charged hydrogen-like systems provides a test of the theoretical and numerical treatment of the electron–nucleus interaction and of the description of nuclear distributions.PACS Nos.: 31.15.Dv, 31.25.–v, 31.30.Gs, 21.10.Ft, 21.10.Ky, 32.80.Ys, 11.30.Er

Energy-dependent many-body perturbation theory for few-electron systems: Pair functions with a virtual photon for helium-like systems

2007 ◽  
Vol 85 (5) ◽  
pp. 563-571
Author(s):  
D Hedendahl ◽  
S Salomonson ◽  
I Lindgren
Keyword(s):  
Quantum Electrodynamics ◽  
Virtual Photon ◽  
Evolution Operator ◽  
Operator Method ◽  
Heavy Elements ◽  
Electron Systems ◽  
Light Elements ◽  
Many Body ◽  
Many Body Perturbation Theory ◽  
Energy Dependent

Analytical methods for atomic quantum electrodynamics (QED) calculations are mainly applicable to light elements, while available numerical methods work only for medium-heavy and heavy elements. A new numerical perturbative technique for energy-dependent interactions is being developed, based upon the recently introduced covariant evolution-operator method (Lindgren et al. Phys. Rep. 389, 181 (2004)). This could be used for combined many-body-QED calculations on light as well as heavy elements. The method is presently being implemented, and some preliminary numerical results for light helium-like ions are given.PACS Nos.: 31.30.Jv, 31.15.Md, 31.25.Jf, 33.15.Pw

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