V. M. Shabaev
The quantum electrodynamic theory of the nuclear recoil effect in atoms to all orders in αZ is formulated. The nuclear recoil corrections for atoms with one and two electrons over closed shells are considered in detail. The problem of the composite nuclear structure in the theory of the nuclear recoil effect is discussed.
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The quantum electrodynamic theory of the nuclear recoil effect on the atomic g factor to all orders in αZ and to first order in m/M is formulated. The complete αZ-dependence formula for the recoil correction to the bound-electron g factor in a hydrogenlike atom is derived. This formula is used to calculate the recoil correction to the bound-electron g factor in the order (αZ)^2 m/M for an arbitrary state of a hydrogenlike atom.
Fully relativistic approach is applied to evaluation of the nuclear recoil effect on the bound-electron $g$ factor in hydrogenlike ions to first order in the electron-to-nucleus mass ratio $m/M$ and to all orders in $αZ$. The calculations are performed in the range $1 \leqslant Z \leqslant 20$ for the $g$ factors of $1s$, $2s$, $2p_{1/2}$, and $2p_{3/2}$ states. The $αZ$-dependence of the nontrivial QED recoil contribution as a function of $Z$ is studied.
QED nuclear recoil effect in helium isotope shift
本研究通过计算氦同位素位移中的量子电动力学核 recoil 效应，改进了核电荷半径差的确定方法。
The relativistic nuclear recoil, higher-order interelectronic-interaction, and screened QED corrections to the transition energies in Li-like ions are evaluated. The calculation of the relativistic recoil effect is performed to all orders in 1/Z. The interelectronic-interaction correction to the transition energies beyond the two-photon exchange level is evaluated to all orders in 1/Z within the Breit approximation. The evaluation is carried out employing the large-scale configuration-interaction Dirac-Fock-Sturm method. The rigorous calculation of the complete gauge invariant sets of the scre…
A model-operator approach to fully relativistic calculations of the nuclear recoil effect on energy levels in many-electron atomic systems is worked out. The one-electron part of the model operator for treating the normal mass shift beyond the Breit approximation is represented by a sum of semilocal and nonlocal potentials. The latter ones are constructed by employing the diagonal and off-diagonal matrix elements rigorously evaluated for hydrogenlike ions to first order in the electron-to-nucleus mass ratio. The specific mass shift beyond the lowest-order relativistic approximation has a form …
Comparison of high accuracy calculations with precision measurement of the 413 nm tune-out wavelength of the He($2\,^3S_1$) state provides a unique test of quantum electro-dynamic (QED). We perform large-scale relativistic-configuration-interaction (RCI) calculations of the tune-out wavelength, that include the mass-shift operator, and fully account for leading relativistic nuclear recoil terms in the Dirac-Coulomb-Breit (DCB) Hamiltonian. We obtain the QED correction to the tune-out wavelength using perturbation theory, and the effect of finite nuclear size is also evaluated. The resulting tu…
The both mass-dependent and field shift components of the isotopic shifts and the lowest order QED corrections for the ground (singlet) $1^1S(L = 0)-$states of the ${}^{3}$He and ${}^{4}$He atoms are determined to high accuracy. For the same states we also evaluated the lowest-order QED corrections and the corresponding recoil (or finite mass) corrections. In our calculations we have used the new (corrected) formula for the recoil correction to the lowest-order QED correction which can be applied to atoms/ions with arbitrary nuclear charge $Q \ge 1$.
QED calculations of the nuclear recoil effect in muonic atoms
本研究对μ子原子的核反冲修正进行全阶严格QED计算，揭示其与近似方法的差异及对核电荷半径的敏感性，为光谱提取核参数提供理论依据。
The nuclear recoil effect on the ground-state $g$ factor of highly charged boronlike ions is considered within the relativistic framework. The interelectronic-interaction contribution is evaluated within the Breit approximation employing two independent approaches: the second-order perturbation theory and the configuration-interaction Dirac-Fock-Sturm method. The uncertainty of the nuclear recoil $g$-factor contributions is significantly reduced, especially for low- and middle-$Z$ ions.
The nuclear recoil effect to the g factor of boron-like ions is investigated. The one-photon-exchange correction to the nuclear recoil effect is calculated in the non-relativistic approximation for the nuclear recoil operator and in the Breit approximation for the interelectronic-interaction operator. The screening potential is employed to estimate the higher-order contributions. The updated g-factor values are presented for the ground 2P_1/2 and first excited 2P_3/2 states of B-like argon 40^Ar^13+, which are presently being measured by the ARTEMIS group at GSI.
The nuclear recoil effect on the g factor of highly charged Li-like ions is evaluated in the range Z=10-92. The calculations are performed using the 1/Z perturbation theory. The one-electron recoil contribution is evaluated within the fully relativistic approach with the wave functions which account for the screening effects approximately. The two-electron recoil contributions of the first and higher orders in 1/Z are calculated within the Breit approximation using a four-component approach.
QED theory of the nuclear recoil with finite size
针对有限尺寸核反冲问题，提出在 QED 框架而非 Breit 近似内处理横向电磁相互作用，推导出关于耦合参数精确的完整 QED 公式，并发现 $(Z\,α)^6$ 阶贡献在数值上主导低阶项。
Within the lowest-order relativistic approximation ($\sim v^2/c^2$) and to first order in $m_e/M$, the tensorial form of the relativistic corrections of the nuclear recoil Hamiltonian is derived, opening interesting perspectives for calculating isotope shifts in the multiconfiguration Dirac-Hartree-Fock framework. Their calculation is illustrated for selected Li-, B- and C-like ions. The present work underlines the fact that the relativistic corrections to the nuclear recoil are definitively necessary for getting reliable isotope shift values.
The finite nuclear size corrections to the relativistic recoil effect in H-like ions are calculated within the Breit approximation. The calculations are performed for the $1s$, $2s$, and $2p_{1/2}$ states in the range $Z =$ 1-110. The obtained results are compared with previous evaluations of this effect. It is found that for heavy ions the previously neglected corrections amount to about 20% of the total nuclear size contribution to the recoil effect calculated within the Breit approximation.
Above 54.4 eV, two-photon double ionization of helium is dominated by a sequential absorption process, producing characteristic behavior in the single and triple differential cross sections. We show that the signature of this process is visible in the nuclear recoil cross section, integrated over all energy sharings of the ejected electrons, even below the threshold for the sequential process. Since nuclear recoil momentum imaging does not require coincident photoelectron measurement, the predicted images present a viable target for future experiments with new short-pulse VUV and soft X-ray so…
The effect of finite nuclear mass on the magnetic-dipole transition probabilities between fine-structure levels of the same term is investigated. Based on a rigorous QED approach a nonrelativistic formula for the recoil correction to first order in m_e/M is derived. Numerical results for transitions of experimental interest are presented.
The nuclear recoil effect on the $g$ factor of the ground state of highly charged B-like ions is studied to first order in the electron-to-nucleus mass ratio $m/M$. The leading one-electron and two-electron recoil contributions are calculated nonperturbatively in the parameter $αZ$ within the rigorous QED formalism. The interelectronic-interaction correction to the nuclear recoil effect is evaluated in the Breit approximation by means of perturbation theory to the first order in $1/Z$. The higher-order interelectronic-interaction corrections are taken into account partially by performing the c…
The quantum electrodynamics formalism to treat the interelectronic-interaction correction of first order in $1/Z$ to the two-electron part of the nuclear recoil effect on binding energies in atoms and ions is developed. The nonperturbative in $αZ$ calculations of the corresponding contribution to the energies of the $1s^2$ state in He-like and the $1s^2 2s$ and $1s^2 2p_{1/2}$ states in Li-like ions are performed in the range $Z=5-100$. The behavior of the two-electron part of the nuclear recoil effect beyond the lowest-order relativistic approximation as $Z$ grows is studied.
Nuclear recoil correction to the hyperfine splitting in atomic systems
本文研究了轻原子系统超精细分裂的领先$O(m/M)$核反冲修正，引入核子电磁形状因子以处理超精细相互作用奇异性，给出了$O(Z\,α)$反冲修正公式，强调了真实描述核结构效应的重要性。
The Dirac Hamiltonian including nuclear recoil and vacuum-polarization operators is considered in a supercritical regime Z > 137. It is found that the nuclear recoil operator derived within the Breit approximation regularizes the Hamiltonian for the point-nucleus model and allows the ground state level to go continuously down and reach the negative energy continuum at a critical value Zcr = 145. If the Hamiltonian contains both the recoil operator and the Uehling potential, the 1s level reaches the negative energy continuum at Zcr = 144. The corresponding calculations for the excited states ha…
The nuclear recoil correction to the g factor of boronlike ions is evaluated within the lowest-order relativistic (Breit) approximation. The interelectronic-interaction effects are taken into account to the first order of the perturbation theory in 1/Z. Higher orders in 1/Z are partly accounted for by means of the effective screening potential. The most accurate up-to-date values of this contribution are presented for the ions in the range Z=10-20.
We report high-precision calculations of the nuclear recoil effect to the Lamb shift of hydrogen-like atoms to the first order in the electron-nucleus mass ratio and to all orders in the nuclear binding strength parameter $Zα$. The results are in excellent agreement with the known terms of the $Zα$ expansion and allow an accurate identification of the nonperturbative higher-order remainder. For hydrogen, the higher-order remainder was found to be much larger than anticipated. This result resolves the long-standing disagreement between the numerical all-order and the analytical $Zα$-expansion a…
Accurate calculations of the nuclear recoil effect to the Lamb shift of hydrogen-like atoms are presented. Numerical results are reported for the $ns$ states with $n \leq 5$ and for the $2p_{1/2}$ and $2p_{3/2}$ states. The calculations are performed to the first order in the electron-nucleus mass ratio and to all orders in the nuclear binding strength parameter $Zα$ (where $Z$ is the nuclear charge number and $α$ is the fine structure constant). The obtained results provide accurate predictions for the higher-order remainder beyond the known $Zα$-expansion terms. In the case of hydrogen, the …
The nuclear recoil effect on the $^2 P_{3/2}$-state $g$ factor of B-like ions is calculated to first order in the electron-to-nucleus mass ratio $m/M$ in the range $Z=18$--$92$. The calculations are performed by means of the $1/Z$ perturbation theory. Within the independent-electron approximation, the one- and two-electron recoil contributions are evaluated to all orders in the parameter $αZ$ by employing a fully relativistic approach. The interelectronic-interaction correction of first order in $1/Z$ is treated within the Breit approximation. Higher orders in $1/Z$ are partially taken into ac…
Ionization efficiency for nuclear recoils in silicon from $\sim 50$ eV to $3$ MeV
本文提出一个扩展 Lindhard 理论的硅核反冲电离效率模型，考虑原子键断裂、电子阻止、离散及屏蔽效应，覆盖约 50 eV 至 3 MeV 能量范围。
The nuclear recoil effect on the $g$ factor of H- and Li-like heavy ions is evaluated to all orders in $αZ$. The calculations include an approximate treatment of the nuclear size and the electron-electron interaction corrections to the recoil effect. As the result, the second largest contribution to the theoretical uncertainty of the $g$-factor values of $^{208}$Pb$^{79+}$ and $^{238}$U$^{89+}$ is strongly reduced. Special attention is paid to tests of the QED recoil effect on the $g$ factor in experiments with heavy ions. It is found that, while the QED recoil effect on the $g$-factor value i…
The most precise to-date evaluation of the nuclear recoil effect on the $n=1$ and $n=2$ energy levels of He-like ions is presented in the range $Z=12-100$. The one-electron recoil contribution is calculated within the framework of the rigorous QED approach to first order in the electron-to-nucleus mass ratio $m/M$ and to all orders in the parameter $αZ$. The two-electron $m/M$ recoil term is calculated employing the $1/Z$ perturbation theory. The recoil contribution of the zeroth order in $1/Z$ is evaluated to all orders in $αZ$, while the $1/Z$ term is calculated using the Breit approximation…
The electron-electron interaction correction of first order in $1/Z$ to the one-electron part of the nuclear recoil effect on binding energies in atoms and ions is considered within the framework of the rigorous QED approach. The calculations to all orders in $αZ$ are performed for the $1s^2$ state in heliumlike ions and the $1s^2 2s$ and $1s^2 2p_{1/2}$ states in lithiumlike ions in the range $Z=5$--$100$. The results obtained are compared with the Breit-approximation values. The performed calculations complete a systematic treatment of the QED nuclear recoil effect up to the first order in $…
Recoil corrections with finite nuclear size in hydrogenic systems
本文推导了氢原子体系中核反冲与有限核尺寸联合效应的精确公式，发现Breit近似产生虚假的线性核尺寸项，而完整QED处理给出正确的二次项，对μ子原子光谱测定核电荷半径具有重要意义。
Accurate results for nonrelativistic energy, relativistic, QED, and finite nuclear mass corrections are obtained for $2^1S_{1/2}$, $3^1S_{1/2}$ and $2^1P_{1/2}$ states of the Li atom and Be$^+$ ion. Our computational approach uses the Hylleraas basis set with the analytic integration and recursion relations. From comparison of experimental results for the isotope shifts to theoretical predictions including nuclear polarizabilities, we obtain nuclear charge radii for Li and Be isotopes.
A systematic investigation of the nuclear-polarization effects in one- and few-electron heavy ions is presented. The nuclear-polarization corrections in the zeroth and first orders in $1/Z$ are evaluated to the binding energies, the hyperfine splitting, and the bound-electron g factor. It is shown, that the nuclear-polarization contributions can be substantially canceled simultaneously with the rigid nuclear corrections. This allows for new prospects for probing the QED effects in strong electromagnetic field and the determination of fundamental constants.
The recoil correction to the ground state energy of hydrogenlike atoms is calculated to all orders in αZ in the range Z = 1-110. The nuclear size corrections to the recoil effect are partially taken into account. In the case of hydrogen, the relativistic recoil correction beyond the Salpeter contribution and the nonrelativistic nuclear size correction to the recoil effect, amounts to -7.2(2) kHz. The total recoil correction to the ground state energy in hydrogenlike uranium (^{238}U^{91+}) constitutes 0.46 eV.
Relativistic nuclear recoil effects in hyperfine splitting of hydrogenic systems
本文计算了氢样体系超精细分裂中因有限核质量引起的修正，发现与Bodwin和Yennie的先前结果存在矛盾，并在氢中测量中发现2σ偏差，可能表明质子结构修正存在问题。
Future metrology standards will be partly based on physical quantities computed from first principles rather than measured. In particular, a new pressure standard can be established if the dynamic polarizability of helium can be determined from theory with an uncertainty smaller than 0.2 ppm. We present calculations of the frequency-dependent part of this quantity including relativistic effects with full account of leading nuclear recoil terms and using highly optimized explicitly correlated basis sets. A particular emphasis is put on uncertainty estimates. At the He-Ne laser wavelength of 632…
The shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions is calculated ab initio with inclusion of relativistic, nuclear, and quantum electrodynamics (QED) effects. The QED correction is evaluated to all orders in the nuclear binding strength parameter and, independently, to the first order in the expansion in this parameter. The results obtained lay the basis for the high-precision determination of nuclear magnetic dipole moments from measurements of the g-factor of hydrogen-like ions.
Ab initio method based on a complex-scaling approach and aimed at a rigorous QED description of autoionizing states is worked out. The autoionizing-state binding energies are treated nonperturbatively in $αZ$ and include all the many-electron QED contributions up to the second order. The higher-order electron correlation, nuclear recoil, and nuclear polarization effects are taken into account as well. The developed formalism is demonstrated on the $LL$ resonances in heliumlike argon and uranium. The most accurate theoretical predictions for the binding energies are obtained.
We report an ab initio calculation of the shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions. This investigation takes into account several effects that have not been calculated before (electron self-energy, vacuum polarization, nuclear magnetization distribution), thus bringing the theory to the point where further progress is impeded by the uncertainty due to nuclear-structure effects. The QED corrections are calculated to all orders in the nuclear binding strength parameter and, independently, to the leading order in the expansion in this parameter. The res…
The derivation of leading quantum electrodynamic corrections to the nuclear magnetic shielding in light hydrogen- and helium-like atomic systems is described in detail. The presented theoretical approach applies to any light atomic and molecular systems, enabling the determination of the magnetic moment of light nuclei with much higher precision than known presently.
The magnetic shielding $σ$ of $^3$He is studied. The complete relativistic corrections of order $O(α^2)$, leading QED corrections of order $O(α^3 \lnα)$, and finite nuclear mass effects of order $O(m/m_{\rm N})$ are calculated with high numerical precision. The resulting theoretical predictions for $σ= 59.967~43(10)\cdot 10^{-6}$ are the most accurate to date among all elements and support the use of $^3$He as a NMR standard.
The quantum electrodynamical theory of the two-photon transitions in hydrogenlike ions is presented. The emission probability for 2s1/2 -> 2E1+1s1/2 transitions is calculated and compared to the results of the previous calculations. The emission probabilities 2p12 -> E1E2+1s1/2 and 2p1/2 -> E1M1+1s1/2 are also calculated for the nuclear charge Z values 1-100. This is the first calculation of the two latter probabilities. The results are given in two different gauges.
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