研究目的
To study energy levels, hyperfine structure, and 2s-2p radiative transition processes in C-like Fe, Co, and Ni ions using relativistic computational methods to provide theoretical data for experimental applications in plasma diagnostics and atomic structure research.
研究成果
The MCDF method with GRASP2K provides accurate calculations of energy levels, hyperfine structures, and radiative transitions for C-like Fe, Co, and Ni, showing good agreement with experimental data. The results highlight the importance of electron correlation and relativistic effects, and the computed spectra offer valuable theoretical support for future experimental studies in plasma physics and astrophysics.
研究不足
The study is purely theoretical and computational, lacking experimental validation beyond comparisons with existing data. It may not account for all electron correlation effects beyond the included configurations, and the accuracy is limited by the approximations in the MCDF method and the specific parameters used for nuclear properties.
1：Experimental Design and Method Selection:
The study employs the multiconfiguration Dirac–Hartree–Fock (MCDF) method using the GRASP2K code for fully relativistic calculations. It includes configuration interaction (CI) calculations with stepwise expansion of the configuration space up to n=8, l≤5 orbitals, and incorporates Breit interaction, QED effects, and finite nuclear size corrections. A biorthogonal transformation technique is used for optimizing initial and final states in transition arrays.
2：Sample Selection and Data Sources:
The samples are theoretical models of C-like Fe, Co, and Ni ions. Data sources include nuclear parameters (spin, quadrupole moment, Lande factor) from experimental references, and comparison data from previous theoretical studies and NIST experimental databases.
3：List of Experimental Equipment and Materials:
No physical equipment is used; the study is computational, relying on the GRASP2K software code for calculations.
4：Experimental Procedures and Operational Workflow:
The workflow involves optimizing wavefunctions in separate calculations for even and odd parity levels, expanding the configuration space incrementally, adding relativistic corrections, and computing properties such as energies, hyperfine constants, and transition rates. Results are compared with experimental and other theoretical data.
5：Data Analysis Methods:
Data analysis includes calculating deviations between computed and experimental energies, evaluating electron correlation effects, and comparing radiative transition rates in different gauges (Coulomb and Babushkin). Statistical comparisons and graphical representations (e.g., figures) are used to assess accuracy and uncertainties.
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