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 |
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Format: | Artikel |
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. |
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ISSN: | 1050-2947 1094-1622 |
DOI: | 10.1103/PhysRevA.76.052513 |