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Acta Physica Sinica

THEORETICAL STUDY OF THE FINE-STRUCTURE INVERSIONS IN nf RYDBERG STATES OF ALKALI ATOMS

YAN JUN, Peihong Zhang, Xiao‐Min Tong, Jiaming Li, 中国科学院物理研究所

Published Jan 1, 1996• 23 citations
Publisher

Abstract

Based on the Relativistic Multichannel Theory,we have systematically studied the fine structure of nf Rydberg states of alkali atoms. Our calculated differences between the quantum defects μj+ and μj- are in good agreement with measured values, namely normal for Li and Na while inverted for Rb and Cs. We also predict a normal fine-structure for K and an inverted one for Fr, which still have no experimental data currently. Our theoretical calculation shows that the exchange between excited electron and core electrons is responsible for the inversion, which is a purely relativistic effect, while electron correlation is unimportant.

DOI
10.7498/aps.45.1978

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Based on the Relativistic Multichannel Theory,we have systematically studied the fine structure of nf Rydberg states of alkali atoms. Our calculated differences between the quantum defects μj+ and μj- are in good agreement with measured values, namely normal for Li and Na while inverted for Rb and Cs. We also predict a normal fine-structure for K and an inverted one for Fr, which still have no experimental data currently. Our theoretical calculation shows that the exchange between excited electron and core electrons is responsible for the inversion, which is a purely relativistic effect, while electron correlation is unimportant.
To enhance the current understanding of mechanisms contributing to magnetic hyperfine interactions in excited states of atomic systems, in particular, alkali-metal atom systems, the hyperfine fields in the excited 52S1/2−−82S1/25{}^{2}{S}_{1/2}--8{}^{2}{S}_{1/2}52S1/2​−−82S1/2​ states of potassium and 82S1/2−−122S1/28{}^{2}{S}_{1/2}--12{}^{2}{S}_{1/2}82S1/2​−−122S1/2​ states of francium atoms have been studied using the relativistic linked-cluster many-body perturbation procedure. The net theoretical values of the hyperfine fields for the excited states studied are in excellent agreement with available experimental data for both atoms. There is a significant decrease in importance of the correlation contribution in going from the ground state to the excited states, the correlation contributions as ratios of the direct contribution decreasing rapidly as one moves to the higher excited states. However, the contribution from the exchange core polarization (ECP) effect is nearly a constant fraction of the direct effect for all the excited states considered. Physical explanations are offered for the observed trends in the contributions from the different mechanisms. A comparison is made of the different contributing effects to the hyperfine fields in potassium and francium to those in the related system, rubidium, studied earlier. Extrapolating from our results to the highly excited states of alkali-metal atoms, referred to as the Rydberg states, it is concluded that in addition to the direct contribution from the excited valence electron to the hyperfine fields, a significant contribution is expected from the ECP effect arising from the influence of exchange interactions between electrons in the valence and core states.
The combined relativistic energy approach and relativistic many-body perturbation theory with the zeroth Dirac-Fock potential approximation are used for computing the thermal Blackbody radiation ionization characteristics of the alkali Rydberg atoms, in particular, the rubidium and caesium in Rydberg states with principal quantum number n = 20-100. Preliminary application of theory to computing ionization rate for the Rydberg sodium atom in the have demonstrated physically reasonable agreement between the theoretical and experimental data. The accuracy of the theoretical data is provided by a correctness of the corresponding relativistic wave functions and accounting for the exchange-correlation effects.
We discuss the systematics of energy levels of high-angular-momentum Rydberg states of alkali-metal atoms, and show that they are well described by a quantum-defect model. Polarization of the core electrons by the valence electron is shown to be the dominant contribution to the quantum defect. As an example, recently observed splittings between the l=3,4,and5l=3,4,\mathrm{and} 5l=3,4,and5 levels in various Rydberg states of sodium are analyzed to yield values for the core polarizabilities. Effective values of the dipole and quadrupole polarizability of 1.0015(15) and 0.48(15) a.u., respectively, are obtained. Implications for the precise determination of the structure of highly excited Rydberg states in alkali atoms are discussed.
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.