We performed accurate calculation of $α$-dependence ($α=e^2/hc$) of the transition frequencies for ions, which are used in a search for the variation of the fine structure constant $α$ in space-time. We use Dirac-Hartree-Fock method as a zero approximation and then the many-body perturbation theory and configuration interaction methods to improve the results. An important problem of level pseudocrossing (as functions of $α$) is considered. Near the crossing point the derivative of frequencies over $α$ varies strongly (including change of the sign). This makes it very sensitive to the position of the crossing point. We proposed a semiempirical solution of the problem which allows to obtain accurate results.
We use the relativistic Hartree-Fock method, many-body perturbation theory and configuration-interaction method to calculate the dependence of atomic transition frequencies on the fine structure constant, alpha. The results of these calculations will be used in the search for variation of the fine structure constant in quasar absorption spectra.
We perform accurate calculations of the dependence of transition frequencies in two valence electron atoms and ions on a variation of the fine structure constant, alpha. The relativistic Hartree-Fock method is used with many-body perturbation theory and configuration interaction methods to calculate transition frequencies. The results are to be used in atomic-clock-type laboratory experiments designed to test whether alpha varies in time.
The Coulomb repulsion between ions in a linear Paul trap give rise to anharmonic terms in the potential energy when expanded about the equilibrium positions. We examine the effect of these anharmonic terms on the accuracy of a quantum simulator made from trapped ions. To be concrete, we consider a linear chain of $\text{Yb}^{171+}$ ions stabilized close to the zigzag transition. We find that for typical experimental temperatures, frequencies change by no more than a factor of $0.01\%$ due to the anharmonic couplings. Furthermore, shifts in the effective spin-spin interactions (driven by a spin…
We consider the application of a basic principle of quantum theory, the tracelessness of a certain class of hamiltonians, to the precision spectroscopy of the molecular hydrogen ions. We show that it is possible to obtain the spin-averaged transition frequencies between states from a simple weighted sum of experimentally accessible spin-dependent transition frequencies. We discuss the cases ${\rm H}_{2}^{+}$ and ${\rm HD}^{+}$, which are distinct in the multipole character of their rovibrational transitions. Inclusion of additional frequencies permits canceling also the electric quadrupole shi…
We reconsider the calculation of rovibrational transition frequencies in hydrogen molecular ions. Some previously neglected contributions, such as the deuteron polarizability, are included into consideration in comparison with our previous work. In particular, one-loop and two-loop QED corrections at $mα^7$ and $mα^8$ orders are recalculated in the framework of the adiabatic approximation, with systematic inclusion of corrections associated with vibrational motion. Improved theoretical transitions frequencies are obtained and found to be in very good agreement with recent high-precision spectr…
In sudden perturbation approximation, the probability of the shake-up process accompanying inner-shell ionization is calculated for the isoelectronic sequences of Li-, Na- and K-like ions in the ground and excited $n$p and $n$d states. Numerical solutions of Hartree-Fock equations and hydrogen-like radial orbitals are used. Very large differences between the results of both approximations for all ions and strong dependences on ion charge are obtained at the beginning of the isoelectronic sequences.
A new method for measuring a possible time dependence of the fine-structure constant ($α$) is proposed. The method is based on the level-crossing in two-electron highly-charged ions facilitating resonance laser measurements of the distance between the levels at the point of crossing. This provides an enhancement factor of about $10^{3}$ in Helium-like Europium and thus reduces the requirements for the relative accuracy of resonance laser measurements at about $10^{-12}$.
Formulas and expectation values which are need to determine the lowest-order QED corrections ($\sim α^3$) and corresponding recoil (or finite mass) corrections in the two-electron helium-like ions are presented. Other important properties of the two-electron ions are also determined to high accuracy, including the expectation values of the qausi-singular Vinti operator and $\langle r^{-2}_{eN} \rangle$ and $\langle r^{-2}_{ee} \rangle$ expectation values. Elastic scattering of fast electrons by the two-electron ions in the Born approximation is considered. Interpolation formulas are derived fo…
High-precision variational calculations of the operators for the relativistic corrections in the leading $mα^4$ order are presented. The ro-vibrational states in the range of the total orbital angular momentum $L\!=\!0\!-\!4$ and vibrational quantum number $v\!=\!0\!-\!10$ for the $\mbox{H}_2^+$ and $\mbox{HD}^+$ molecular ions are considered. We estimate that about ten significant digits are obtained. This high precision is required for making theoretical predictions for transition frequencies at the level of $10^{-12}$ relative uncertainty.
We consider transitions of electron holes (vacancies in otherwise filled shells of atomic systems) in multiply-charged ions that, due to level-crossing of the holes, have frequencies within the range of optical atomic clocks. Strong E1 transitions provide new options for laser-cooling and trapping, while narrow transitions can be used for high-precision spectroscopy and tests of fundamental physics. We show that hole transitions can have extremely high sensitivity to alpha-variation due to large relativistic corrections, and propose candidate transitions that have much larger alpha-sensitiviti…
We investigate the energy dependence and the internal-state dependence of the charge-exchange collision cross sections in a mixture of $^6$Li atoms and $^{40}$Ca$^+$ ions in the collision energy range from 0.2 mK to 1 K. Deliberately excited ion micromotion is used to control the collision energy of atoms and ions. The energy dependence of the charge-exchange collision cross section obeys the Langevin model in the temperature range of the current experiment, and the measured magnitude of the cross section is correlated to the internal state of the $^{40}$Ca$^+$ ions. Revealing the relationship…
We calculate the DC Stark effect for three molecular hydrogen ions in the non-relativistic approximation. The effect is calculated both in dependence on the rovibrational state and in dependence on the hyperfine state. We discuss special cases and approximations. We also calculate the AC polarisabilities for several rovibrational levels, and therefrom evaluate accurately the black-body radiation shift, including the effects of excited electronic states. The results enable the detailed evaluation of certain systematic shifts of the transitions frequencies for the purpose of ultra-high-precision…
Spin effects in the tunneling regime of strong field ionization of hydrogenlike highly charged ions in linearly as well as circularly polarized laser fields are investigated. The impact of the polarization of a laser field on the spin effects are analyzed. Spin-resolved differential ionization rates are calculated employing the relativistic Coulomb-corrected strong-field approximation (SFA) developed in the previous paper of the series. Analytical expressions for spin asymmetries and spin flip probability, depending on the laser's polarization, are obtained for the photoelectron momentum corre…
We demonstrate that several metastable excited states in Hf$~$II, Hf$~$IV and W$~$VI ions may be good clock states since they are sufficiently long-living and are not sensitive to the perturbations. Cooling E1 transitions are available. Energy levels, Landé $g$-factors, transition amplitudes for electric dipole (E1), electric quadrupole (E2), and magnetic dipole (M1) transitions, lifetimes, and electric quadrupole moments for Hf$~$II, Hf$~$IV, and W$~$VI ions are investigated using a combination of several methods of relativistic many-body calculations including the configuration interaction (…
A theoretical study the all two-photon transitions from initial bound states with ni = 2, 3 in hydrogenic ions is presented. High-precision values of relativistic decay rates for ions with nuclear charge in the range 1 =< Z =< 92 are obtained through the use of finite basis sets for the Dirac equation constructed from B-splines. We also report the spectral (energy) distributions of several resonant transitions, which exhibit interesting structures, such as zeroes in the emission spectrum, indicating that two-photon emission is strongly suppressed at certain frequencies. We compare two differen…
Attempts are made to unify gravity with the other three fundamental forces of nature. As suggested by higher dimensional models, this unification may require space and time variation of some dimensionless fundamental constants. In this scenario, probing temporal variation of the electromagnetic fine structure constant ($α= \frac{e^2} {\hbar c}$) in low energy regimes at the cosmological time scale is of immense interest. Atomic clocks are ideal candidates for probing $α$ variation because their transition frequencies are measured to ultra-high precision accuracy. Since atomic transition freque…
We study binary and the recently discovered process of ternary He-assisted recombination of H3+ ions with electrons in a low temperature afterglow plasma. The experiments are carried out over a broad range of pressures and temperatures of an afterglow plasma in a helium buffer gas. Binary and He-assisted ternary recombination are observed and the corresponding recombination rate coefficients are extracted for temperatures from 77 K to 330 K. We describe the observed ternary recombination as a two-step mechanism: First, a rotationally-excited long-lived neutral molecule H3* is formed in electro…
We demonstrate that experiments measuring the transition energies of rare-earth ions doped in crystalline lattices are sensitive to violations of Local Lorentz Invariance and Einstein's Equivalence Principle. Using the crystal field of LaCl$_{3}$ as an example, we calculate the frame-dependent energy shifts of the transition frequencies between low-lying states of Ce$^{3+}$, Nd$^{3+}$, and Er$^{3+}$ dopants in the context of the Standard Model Extension, and show that they have high sensitivity to electron anomalies that break rotational invariance.
We discuss possible search for optical transitions in Sm13+ and Sm14+ using ab initio calculations of differential dynamic polarizability. We calculate dynamic polarizability for M1 transition between first and second excited states of Sm14+ . Transition amplitudes and energies within optical range for states that contribute to the polarizability of the mentioned transition are presented. Employing simple analytical formula for polarizability data in the vicinity of a resonance and assuming that several values of the polarizability for different laser frequencies will be measured one can find …
Using a three-dimensional quasiclassical technique we explore the double ionization pathways of a diatomic molecule driven by an intense infrared (800nm) ultrashort laser pulse. For intensities corresponding to the tunneling regime, we find that the three main ionization mechanisms have distinct traces when considering the sum of the momenta parallel to the laser field as a function of the inter-electronic angle of escape. In addition, we find that the previously observed "finger-like" structure in the correlated momenta of the strongly driven He is also present for strongly driven diatomic mo…
We propose a new scheme for supplying voltages to the electrodes of microfabricated ion traps, enabling access to a regime in which changes to the trapping potential are made on timescales much shorter than the period of the secular oscillation frequencies of the trapped ions. This opens up possibilities for speeding up the transport of ions in segmented ion traps and also provides access to control of multiple ions in a string faster than the Coulomb interaction between them. We perform a theoretical study of ion transport using these methods in a surface-electrode trap, characterizing the pr…
The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the ab-initio description of the interaction of the electric quadrupole moment of this class of molecules with the static electric field gradients present in ion traps. In good approximation, it is described in terms of an effective perturbation hamiltonian. An approximate treatment is then performed in the Born-Oppenheimer approximation. We give an expression of the …
Sympathetic laser cooling of ions stored within a linear-geometry, radio frequency, electric-quadrupole trap has been investigated using computational and theoretical techniques. The simulation, which allows 5 sample ions to interact with 35 laser-cooled atomic ions, revealed an instability heating mechanism, which can prevent ions below a certain critical mass from being sympathetically cooled. This critical mass can however be varied by changing the trapping field parameters thus allowing ions with a very large range of masses to be sympathetically cooled using a single ion species. A theore…
In this paper we present a technique for the precise measurement of electric dipole allowed transitions in trapped ions. By applying a probe and a cooling laser in quick succession, the full transition can be probed without causing distortion from heating the ion. In addition, two probes can be utilized to measure a dispersion-like signal, which is well suited to stabilizing the laser to the transition. We have fully characterized the parameters for the measurement and find that it is possible to measure the transition frequency to better than 100kHz with an interrogation time of 30s. The long…
We investigate electron-correlation effects in the $g$-factor of the ground state of Li-like ions. Our calculations are performed within the nonrelativistic quantum electrodynamics (NRQED) expansion up to two leading orders in the fine-structure constant $α$, $α^2$ and $α^3$. The dependence of the NRQED results on the nuclear charge number $Z$ is studied and the individual $1/Z$-expansion contributions are identified. Combining the obtained data with the results of the all-order (in $Zα$) calculations performed within the $1/Z$ expansion, we derive the unified theoretical predictions for the $…
The two-loop self-energy correction to the Lamb shift of hydrogen-like ions is calculated for the $1s$, $2s$, and $2p_{1/2}$ states and nuclear charge numbers $Z = 30$-$100$. The calculation is performed to all orders in the nuclear binding strength parameter $Zα$. As compared to previous calculations of this correction, numerical accuracy is improved by an order of magnitude and the region of the nuclear charges is extended. An analysis of the $Z$-dependence of the obtained results demonstrates their consistency with the known $Zα$-expansion coefficients.
We present improved theoretical calculations of transition frequencies for the fundamental transitions $(L\!=\!0,v\!=\!1)\to(L'\!=\!0,v'\!=\!0)$ in the hydrogen molecular ions H$_2^+$ and HD$^+$ with a relative uncertainty $4\cdot10^{-11}$ and for the two-photon transitions in the antiprotonic helium atom with a relative uncertainty $10^{-10}$. To do that, the one-loop self-energy correction of order $α(Zα)^6$ is derived in the two Coulomb center approximation, and numerically evaluated in the case of the aforementioned transitions. The final results also include a complete set of other spin-i…
We explore the dependence of the double ionization of the He atom on the frequency of a strong laser field while keeping the ponderomotive energy constant. As we increase the frequency we find that the remarkable "finger-like" structure for high momenta recently found for $ω=0.055$ a.u. \cite{Staudte, Rudenko} persists for higher frequencies. At the same time, at $ω=0.187$ a.u. a new X-shape structure emerges for small momenta that prevails in the correlated momenta distribution. The role of this structure as a signature of the frequency dependence of non-sequential double ionization is discus…
Quantum transduction between microwave and optical frequencies is important for connecting superconducting quantum platforms in a quantum network. Ensembles of rare-earth ions are promising candidates to achieve this conversion due to their collective coherent properties at microwave and optical frequencies. Erbium ions are of particular interest because of their telecom wavelength optical transitions that are compatible with fiber communication networks. Here, we report the optical and electron spin properties of erbium doped yttrium orthovanadate (Er$^{3+}$:YVO$_{4}$), including high-resolut…
The results of highly accurate calculations are presented for all twenty-two known bound $S(L = 0)-, P(L = 1)-, D(L = 2)-$ and $F(L = 3)-$states in the six three-body muonic molecular ions $ppμ, pdμ, ptμ, ddμ, dtμ$ and $ttμ$. A number of bound state properties of these muonic molecular ions have been determined numerically to high accuracy. The dependence of the total energies of these muonic molecules upon particle masses is considered. We also discuss the current status of muon-catalysis of nuclear fusion reactions.
We report a series of measurements of the effect of an electric field on the frequency of the ultranarrow linewidth $^7F_0 \rightarrow$ $^5D_0$ optical transition of $\rm Eu^{3+}$ ions in an $\rm Y_2SiO_5$ matrix at cryogenic temperatures. We provide linear Stark coefficients along two dielectric axes and for the two different substitution sites of the $\rm Eu^{3+}$ ions, with an unprecedented accuracy, and an upper limit for the quadratic Stark shift. The measurements, which indicate that the electric field sensitivity is a factor of seven larger for site 1 relative to site 2 for a particular…
Guiding of highly charged ions (HCI) through tilted capillaries promises to develop into a tool to efficiently collimate and focus low-energy ion beams to sub-micrometer size. One control parameter to optimize guiding is the residual electrical conductivity of the insulating material. Its strong (nearly exponential) temperature dependence is the key to transmission control and can be used to suppress transmission instabilities arising from large flux fluctuations of incident ions which otherwise would lead to Coulomb blocking of the capillary. We demonstrate the strong dependence of transmissi…
We evaluate the feasibility of using magnetic-dipole (M1) transitions in highly-charged ions as a basis of an optical atomic clockwork of exceptional accuracy. We consider a range of possibilities, including M1 transitions between clock levels of the same fine-structure and hyperfine-structure manifolds. In highly charged ions these transitions lie in the optical part of the spectra and can be probed with lasers. The most direct advantage of our proposal comes from the low degeneracy of clock levels and the simplicity of atomic structure in combination with negligible quadrupolar shift. We dem…
