Atomic transition energies and the variation of the fine-structure constant α

Physics

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Relativistic And Quantum Electrodynamic Effects In Atoms And Molecules, Atomic And Molecular Data, Spectra, And Spectral Parameters, Atomic Spectra, Electron Correlation Calculations For Atoms And Molecules

Scientific paper

Relativistic energy shifts of atomic excitation energies, showing the dependence of these energies on the value of the fine-structure constant α , are needed to extract past changes in α from spectra of distant quasars. These shifts are calculated by the Fock-space coupled cluster method and its extrapolated intermediate Hamiltonian extension, which allow high-accuracy treatment of electron correlation. The accuracy of the method is tested by comparing 33 transition energies in heavy atoms (obtained with the laboratory α ) with experiment; the average error is 258cm-1 , and the largest error is 711cm-1 . This may be compared with an average error of 432cm-1 and a maximum error of 2150cm-1 in the work of Dzuba , who reported most of the available energy shift calculations. The enhanced accuracy is due to more extensive inclusion of electron correlation. To obtain the energy shifts, we repeated the calculations with different values of α (within 0.1% of the current value). Our shifts differ by up to 30% from the values given by Dzuba , with an average difference of 9%. Based on the better quality of the present-day excitation energies, we believe the energy shifts reported here are more accurate than earlier work.

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