Ab initio fully relativistic calculations of x-ray spectra of highly charged ions

We have developed and applied an ab initio fully relativistic method for precise calculations of outer-shell transitions in highly charged ions. This method is based on the multiconfiguration Dirac-Fock-Sturm theory in combination with Brillouin-Wigner many-body perturbation theory. We demonstrate t...

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Veröffentlicht in:Physical review. A, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2007-11, Vol.76 (5), Article 052513
Hauptverfasser: Kotochigova, S., Kirby, K. P., Tupitsyn, I.
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Sprache:eng
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Zusammenfassung:We have developed and applied an ab initio fully relativistic method for precise calculations of outer-shell transitions in highly charged ions. This method is based on the multiconfiguration Dirac-Fock-Sturm theory in combination with Brillouin-Wigner many-body perturbation theory. We demonstrate the capability of the method through calculations of the 3s, 3d{yields}2p transitions in Fe XIX. The basis set, constructed out of Dirac-Fock and Sturm one-electron wave functions, allows calculations with an accuracy of less than a few 10{sup -3} A for the wavelengths and better than 1% for the oscillator strengths. Some of the transitions given here have not been observed or calculated previously.
ISSN:1050-2947
1094-1622
DOI:10.1103/PhysRevA.76.052513