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Register a new userAtomic many-body effects and Lamb shifts in alkali metals
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We present a detailed study of the Flambaum-Ginges radiative potential method which enables the accurate inclusion of quantum electrodynamics (QED) radiative corrections in a simple manner in atoms, ions, and molecules over the range 10<=Z<=120, where Z is the nuclear charge. Calculations are performed for binding energy shifts to the lowest valence s, p, and d waves over the series of alkali atoms Na to E119. The high accuracy of the radiative potential method is demonstrated by comparison with rigorous QED calculations in frozen atomic potentials, with deviations on the level of 1%. The many-body effects of core relaxation and second- and higher-order perturbation theory on the interaction of the valence electron with the core are calculated. The inclusion of many-body effects tends to increase the size of the shifts, with the enhancement particularly significant for d waves; for K to E119, the self-energy shifts for d waves are only an order of magnitude smaller than the s-wave shifts. It is shown that account of many-body effects is essential for an accurate description of the Lamb shift.
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We calculate vacuum polarization corrections to the binding energies in neutral alkali atoms Na through to the superheavy element E119. We employ the relativistic Hartree-Fock method to demonstrate the importance of relaxation of the electronic core and the correlation potential method to study the effects of second and higher orders of perturbation theory. These many-body effects are sizeable for all orbitals, though particularly important for orbitals with angular momentum quantum number l>0. The orders of magnitude enhancement for d waves produces shifts that, for Rb and the heavier elements, are larger than those for p waves and only an order of magnitude smaller than the s-wave shifts. The many-body enhancement mechanisms that operate for vacuum polarization apply also to the larger self-energy corrections.
Investigations of low-energy electron-scattering of the lanthanide atoms Eu, Nd, Tb, Tm demonstrate that electron-correlation effects and core polarization are the dominant fundamental many-body effects responsible for the formation of metastable states of negative ions. Ramsauer Townsend minima, shape resonances and binding energies of the resultant anions are identified and extracted from the elastic total cross sections calculated using the complex angular momentum method. The large discrepancy between the recently measured electron affinity of 0.116 and the previously measured value of 1.053 eV for Eu is resolved. Also, the previously measured electron affinities for Nd, Tb and Tm are reconciled and new values are extracted from the calculated total cross sections. The large electron affinities found here for these atoms, should be useful in negative ion nanocatalysis, including methane conversion to methanol without CO2 emission, with significant environmental impact.. The powerful complex angular momentum method which requires only a few poles, yields reliable binding energies for the metastable states of negative ions with no a priori knowledge of experimental or other theoretical data and should be applicable to other complex systems for the fundamental understanding of their interactions.
The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous quantum mechanical treatment of the different interactions. In this pilot study, we investigate the physical effects beyond the mean-field approximation, known as electron correlation, in the ground state energies of atomic systems using the classical-quantum hybrid variational quantum eigensolver (VQE) algorithm. To this end, we consider three isoelectronic species, namely Be, Li-, and B+. This unique choice spans three classes, a neutral atom, an anion, and a cation. We have employed the unitary coupled-cluster (UCC) ansatz to perform a rigorous analysis of two very important factors that could affect the precision of the simulations of electron correlation effects within a basis, namely mapping and backend simulator. We carry out our all-electron calculations with four such basis sets. The results obtained are compared with those calculated by using the full configuration interaction, traditional coupled-cluster and the UCC methods, on a classical computer, to assess the precision of our results. A salient feature of the study involves a detailed analysis to find the number of shots (the number of times a VQE algorithm is repeated to build statistics) required for calculations with IBM Qiskits QASM simulator backend, which mimics an ideal quantum computer. When more qubits become available, our study will serve as among the first steps taken towards computing other properties of interest to various applications such as new physics beyond the Standard Model of elementary particles and atomic clocks using the VQE algorithm.
We consider corrections to the Lamb shift of p-wave atomic states due to the finite nuclear size (FNS). In other words, these are radiative corrections to the atomic isotop shift related to FNS. It is shown that the structure of the corrections is qualitatively different from that for s-wave states. The perturbation theory expansion for the relative correction for a $p_{1/2}$-state starts from $alphaln(1/Zalpha)$-term, while for $s_{1/2}$-states it starts from $Zalpha^2$ term. Here $alpha$ is the fine structure constant and $Z$ is the nuclear charge. In the present work we calculate the $alpha$-terms for $2p$-states, the result for $2p_{1/2}$-state reads $(8alpha/9pi)[ln(1/(Zalpha)^2)+0.710]$. Even more interesting are $p_{3/2}$-states. In this case the ``correction is by several orders of magnitude larger than the ``leading FNS shift.
A new protocol for measuring the branching fraction of hydrogenic atoms with only statistically limited uncertainty is proposed and demonstrated for the decay of the P$_{3/2}$ level of the barium ion, with precision below $0.5%$. Heavy hydrogenic atoms like the barium ion are test beds for fundamental physics such as atomic parity violation and they also hold the key to understanding nucleo-synthesis in stars. To draw definitive conclusion about possible physics beyond the standard model by measuring atomic parity violation in the barium ion it is necessary to measure the dipole transition probabilities of low-lying excited states with precision better than $1%$. Furthermore, enhancing our understanding of the $it{barium-puzzle}$ in barium stars requires branching fraction data for proper modelling of nucleo-synthesis. Our measurements are the first to provide a direct test of quantum many-body calculations on the barium ion with precision below one percent and more importantly with no known systematic uncertainties. The unique measurement protocol proposed here can be easily extended to any decay with more than two channels and hence paves the way for measuring the branching fractions of other hydrogenic atoms with no significant systematic uncertainties.
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