Dipole moments, transition moments, oscillator strengths, radiative lifetimes, and overtone intensities for CH and CH+ as computed by quasi-degenerate many-body perturbation theory

1991 ◽  
Vol 39 (3) ◽  
pp. 269-286 ◽  
Author(s):  
Alfred W. Kanzler ◽  
Hosung Sun ◽  
Karl F. Freed
Keyword(s):  
Perturbation Theory ◽  
Dipole Moments ◽  
Oscillator Strengths ◽  
Many Body ◽  
Radiative Lifetimes ◽  
Transition Moments ◽  
Many Body Perturbation Theory

scholarly journals RELATIVISTIC CALCULATION OF WAVELENGTHS AND E1 OSCILLATOR STRENGTHS IN Li-LIKE MULTICHARGED IONS AND GAUGE INVARIANCE PRINCIPLE

2021 ◽  
pp. 134-142
Author(s):  
O. Khetselius ◽  
A. Mykhailov
Keyword(s):  
Perturbation Theory ◽  
Invariance Principle ◽  
Gauge Invariance ◽  
Oscillator Strengths ◽  
Relativistic Energy ◽  
Many Body ◽  
Zeroth Order ◽  
Many Body Perturbation Theory ◽  
Precise Experiment ◽  
Particle Approximation

The spectral wavelengths and oscillator strengths for 1s22s (2S1/2) → 1s23p (2P1/2) transitions in the Li-like multicharged ions with the nuclear charge Z=28,30 are calculated on the basis of the combined relativistic energy approach and relativistic many-body perturbation theory with the zeroth order optimized Dirac-Kohn-Sham one-particle approximation  and gauge invariance principle performance. The comparison of the obtained results with available theoretical and experimental (compilated) data is performed. The important point is linked with an accurate accounting for the complex exchange-correlation (polarization) effect contributions and using the optimized one-quasiparticle representation in the relativistic many-body perturbation theory zeroth order that significantly provides a physically reasonable agreement between theory and precise experiment.

scholarly journals Relativistic Configuration-Interaction and Perturbation Theory Calculations for Heavy Atoms

Atoms ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 104
Author(s):  
Igor M. Savukov ◽  
Dmytro Filin ◽  
Pinghan Chu ◽  
Michael W. Malone
Keyword(s):  
Perturbation Theory ◽  
Configuration Interaction ◽  
Dipole Moments ◽  
Many Body ◽  
Atomic Systems ◽  
Heavy Atoms ◽  
Isotopic Shifts ◽  
Relativistic Configuration ◽  
Many Body Perturbation Theory ◽  
Relativistic Configuration Interaction

Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of parameters for energy agreement. One promising approach is relativistic configuration-interaction and many-body perturbation theory (CI-MBPT) methods. We present CI-MBPT results for various atomic systems where this approach can lead to reasonable agreement: La I, La II, Th I, Th II, U I, Pu II. Among atomic properties, energies, g-factors, electric dipole moments, lifetimes, hyperfine structure constants, and isotopic shifts are discussed. While in La I and La II accuracy for transitions is better than that obtained with other methods, more work is needed for actinides.

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