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Physical Review Letters

Resonance in Singlet-Triplet Mixing in Two-Electron Systems Caused by Perturbing Configurations

Herbert H. Rinneberg, Jörg Neukammer

Published Jul 12, 1982• 34 citations
Publisher

Abstract

The hyperfine structure of the $6snd^{1}D_{2}$ ($10<~n<~50$) Rydberg states of barium has been measured and analyzed in terms of singlet-triplet mixing. A dispersionlike resonant behavior of the mixing coefficient $\ensuremath{\Omega}$ was observed for barium and strontium in the vicinity of doubly excited configurations. In barium strong disagreement with multichannel-quantum-defect-theory wave functions was found. The present results are compared with the spin polarization and anisotropy of photoelectrons.

DOI
10.1103/physrevlett.49.124

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Odd-parity barium Rydberg states have been populated by stepwise excitation via M1-E1 and E2-E1 transitions, starting from the 6s2 1S0 ground state. Using two cw dye ring lasers and employing thermionic detection, Doppler-free spectra of 6snp 1,3P and 6snf 1,3F Rydberg states have been recorded with excellent signal/noise ratios. A systematic study of the hyperfine structure of 6snp 1P1 Rydberg states has been carried out. Between n=20 and n=23 a resonance in singlet-triplet mixing occurs caused by configuration interaction with the 5d8p 1P1 perturbing state, located close to the first ionization limit. Our results are in disagreement with an existing multichannel quantum defect analysis of this series. The singlet-triplet mixing of 6snp 1P1 and 6snd 1D2 Rydberg series is compared.
A systematic study of the hyperfine structure of 5snd5snd5snd 1D2^{1}D_{2}1D2​ and 3D2^{3}D_{2}3D2​ states of 87Sr^{87}\mathrm{Sr}87Sr was carried out by Doppler-free two-photon excitation. In the region of strong singlet-triplet mixing around n=16n=16n=16, the hyperfine structure exhibits a marked nnn dependence which is related to the amount of singlet-triplet mixing.
Singlet-triplet mixing of 4snd1D24snd ^{1}D_{2}4snd1D2​ and 3D2^{3}D_{2}3D2​ states of Ca was determined between principal quantum numbers 7< n< 427<~n<~427< n< 42 with the use of Doppler-free two-photon spectroscopy. The hyperfine structure of the 4snd1D24snd ^{1}D_{2}4snd1D2​ states was used to probe admixtures of triplet character into the singlet wave functions. It turned out that, in the region of series crossings, an enlarged singlet-triplet mixing was observed.
Abstract Using the reactance matrix approach, we systematically develop new multichannel quantum defect theory (MQDT) models for the singlet and triplet S, P, D and F states of strontium below the first ionization limit, based on improved energy level measurements. The new models reveal additional insights into the character of doubly excited perturber states, and the improved energy level measurements for certain series allow fine structure to be resolved for those series’ perturbers. Comparison between the predictions of the new models and those of previous empirical and ab initio studies reveals good agreement with most series; however, some discrepancies are highlighted. Using the MQDT wave functions derived from our models we calculate other observables such as Landé -factors and radiative lifetimes. The analysis reveals the impact of perturbers on the Rydberg state properties of divalent atoms, highlighting the importance of including two-electron effects in the calculations of these properties. The work enables future investigations of properties such as Stark maps and long-range interactions of Rydberg states of strontium.