Abstract
Orthogonal operators can successfully be used to calculate eigenvalues and eigenvector compositions in complex spectra. Orthogonality ensures least correlation between the operators and thereby more stability in the fit, even for small interactions. The resulting eigenvectors are used to transform the pure transition matrix into realistic intermediate coupling transition probabilities. Calculated transition probabilities for close lying levels illustrate the power of the complete orthogonal operator approach.
Highlights
Since its first introduction [1], the orthogonal operator technique has appeared to be a powerful tool in reducing the deviations between calculated and experimental energy values in complex spectra (Z > 20)
The conventional method calculates two strong lines and two weaker lines, while the experiment shows a strong line, a weaker line, a little bit weaker line and again a stronger line but not as strong as the first line. This pattern is exactly described by the orthogonal operator approach. Another striking example of the impact of the mixing percentages, i.e. the eigenvector accuracy, on the oscillator strengths is given by Hibbert [15,16] in the spectrum of Fe II
The closeness of the results demonstrates the ability of the orthogonal operator method to retrieve the correct physical information from the data
Summary
Since its first introduction [1], the orthogonal operator technique has appeared to be a powerful tool in reducing the deviations between calculated and experimental energy values in complex spectra (Z > 20). The operator set is stable enough to introduce small ( far neglected) higher-order magnetic and electrostatic effects in the fitting procedure By this extension, deviations between calculated and experimental energy values frequently approach experimental accuracy [2]. Ab initio calculations as well as conversion of operator sets are considered, and the interplay between explicit and implicit configuration interaction is discussed. Controversial issues such as (over)completeness, term dependency and a truncation of the model space are reviewed. The accurate description of the energy structure is expected to result in optimally calculated eigenvector compositions This property can be exploited to calculate accurate electric dipole (E1), magnetic dipole (M1) and electric quadrupole (E2) transition probabilities. We intend to cooperate with other groups and increase the accessibility of the method
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