The first direct experimental observation of an electric quadrupole ($\textit{E}$2) transition between bound states of an atomic negative ion has been made. The transition was observed in the negative ion of bismuth by resonant (1+1) photodetachment from Bi$^-$ $^3\textit{P}_2$ via excitation of the Bi$^-$ $^3\textit{P}_0$ fine structure state. The $\textit{E}$2 transition properties were independently calculated using a hybrid theoretical approach to account for the strong multi-level electron interactions and relativistic effects. The experimental and theoretical results are in excellent agreement, providing valuable new insights into this complex system and forbidden transitions in negative ions.
Relativistic formulas for the electric quadrupole moment of a hydrogenlike atom, induced by the hyperfine interaction, are derived for $ns_{1/2}$ and $np_{1/2}$ states. Both the magnetic dipole and electric quadrupole hyperfine interactions are taken into account. The formulas are valid for ions with arbitrary nuclear charge and spin. The induced quadrupole moment is compared with the nuclear quadrupole moment for a wide range of hydrogenlike ions.
Effect of the electric quadrupole moment, $Q$, is studied for positron-atom bound systems. It is demonstrated that for $Q >50$ a.u. the electric quadrupole potential is sufficiently strong to bind positron (or electron) even in the absence of the dipole polarization potential. Such large values of $Q$ are not known for atomic ground states, however, they exist in molecules and excited atoms. In the state $2s2p~^3P^o_2$ of beryllium, the quadrupole contribution makes difference between stable bound state and decay to Be$^+$ ion and positronium. In a majority of atoms the quadrupole contribution…
We evaluate the electric quadrupole moments of the ${^1}\!S_0$ and ${^3}\!P_0$ clock states of $^{27}$Al$^+$ and $^{115}$In$^+$. To capture all dominant contributions, our analysis extends through third order of perturbation theory and includes hyperfine coupling of the electrons to both the magnetic dipole and electric quadrupole moments of the nucleus. For $^{27}$Al$^+$, a fortuitous cancellation leads to a suppressed frequency shift. This should allow for continued improvement of the clock without special techniques to control or cancel the shift, such as the averaging schemes that are crit…
Second-order [O(k^2), k=omega/c] nondipole effects in soft-x-ray photoemission are demonstrated via an experimental and theoretical study of angular distributions of neon valence photoelectrons in the 100--1200 eV photon-energy range. A newly derived theoretical expression for nondipolar angular distributions characterizes the second-order effects using four new parameters with primary contributions from pure-quadrupole and octupole-dipole interference terms. Independent-particle calculations of these parameters account for a significant portion of the existing discrepancy between experiment a…
We report the first driving of the $7s\ ^2S_{1/2}\rightarrow 6d\ ^2D_{3/2}$ and $7s\ ^2S_{1/2}\rightarrow 6d\ ^2D_{5/2}$ electric quadrupole (E2) transitions in Ra$^{+}$. We measure the frequencies of both E2 transitions, and two other low-lying transitions in $^{226}$Ra$^{+}$ that are important for controlling the radium ion's motional and internal states: $6d\ ^2D_{3/2}\rightarrow 7p\ ^2P_{3/2}^{0}$ and $6d\ ^2D_{5/2}\rightarrow 7p\ ^2P_{3/2}^{0}$.
Hyperfine-induced electric dipole contributions may significantly increase probabilities of otherwise very weak electric octupole and magnetic quadrupole atomic clock transitions (e.g. transitions between $s$ and $f$ electron orbitals). These transitions can be used for exceptionally accurate atomic clocks, quantum information processing and search for dark matter. They are very sensitive to new physics beyond the Standard Model, such as temporal variation of the fine structure constant, the Lorentz invariance and Einstein equivalence principle violation. We formulate conditions under which th…
A method for highly accurate calculations of atomic electric quadrupole moments (EQM) is presented, using relativistic general-excitation-rank configuration interaction wavefunctions based on Dirac spinors. Application to the clock transition states of the thulium atom employing up to full Quadruple excitations for the atomic wavefunction yields a final value of $Q_{zz}({^2F}_{7/2}) = 0.07 \pm 0.07$ a.u., establishing that the thulium electronic ground state has an exceptionally small EQM. A detailed analysis of this result is presented which has implications for EQMs of other atoms with unpai…
The electric quadrupole moment for the $5d^{2}D_{3/2}$ state of $\mathrm{^{171}Yb^{+}}$, has been calculated using the relativistic coupled-cluster method. Earlier a similar calculation was performed for the 4d $^2D_{5/2}$ state of $\mathrm{^{88}Sr^{+}}$ which is the most accurate determination to date {[}PRL, \textbf{96}, 193001 (2006)]. The present calculation of the electric quadrupole moment of $\mathrm{^{171}Yb^{+}}$ yielded a value $2.157 ea_{0}^{2}$ where the experimental value is $2.08(11)ea_{0}^{2}$; $a_{0}$ is the Bohr radius and $e$ the elementary charge. We discuss in this paper ou…
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 …
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced electric quadrupole transitions between a large set of ro-vibrational states of ${\rm H_2^+}$. The hyperfine and Zeeman structure of the E2 transition spectrum and the effects of the laser polarization are treated in detail. We also present the nuclear spin-electron spin coupling constants, computed with a precision 10 times higher than previously.
We study an atomic comagnetometer design based on the spin precessions of $^{129}$Xe and $^{131}$Xe atoms in glass cells. The quadrupole splittings in the precession spectrum of $^{131}$Xe are fully resolved, allowing a precise determination of the magnetic-dipole precession frequency. The transverse asymmetry of quadrupole interactions, due to both the geometry and surface properties of the cell, characterized by a non-zero asymmetry parameter $η$, modifies the dependence of the quadrupole splittings on the relative orientation between the cell axes and the bias magnetic field, and lead to ad…
In hot plasmas, a temperature of a few tens of eV is sufficient for producing highly stripped ions where multipole transitions become important. At low density, the transitions from tightly bound inner shells lead to electric-quadrupole (E2) lines which are comparable in strength with electric-dipole ones. In this work, we propose analytical formulas for the estimation of the number of E2 lines in a transition array. Such expressions rely on statistical descriptions of electron states and J-levels. A generalized 'J-file' sum rule for E2 lines and the strength-weighted shift and variance of the…
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. In homonuclear molecular ions the electric dipole $E1$ transitions are strongly suppressed, and of primary laser spectroscopy interest is the electric quadrupole ($E2$) transition spectrum. In continuation of previous work on the H$_2^+$ ion, we report here the results of the calculations of the hyperfine structure of the laser-induced electric quadrupole transitions between a large set of ro-vibrational states of D$_2^+$; the in…
We excite the 717 nm electric quadrupole 6$D_{3/2} $ $\leftrightarrow$ 7$S_{1/2}$ transition in a laser-cooled $^{232}$Th$^{3+}$ ion crystal. The transition frequency and the lifetime of the metastable 7$S_{1/2}$ level are measured to be 417 845 964(30) MHz and 0.60(7) s, respectively. We subsequently employ the 7$S_{1/2}$ level to drive the ions with nanosecond-long 269 nm laser pulses into the 7$P_{1/2}$ level. The latter is connected to the 7$S_{1/2}$ electronic level within the $^{229}$Th nuclear isomer manifold by the strongest available electron-bridge transition, forming a basis for its…
The relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) and the non-relativistic multiconfiguration Hartree-Fock (MCHF) methods have been employed to calculate the magnetic dipole and electric quadrupole hyperfine structure constants of zinc. The calculated electric field gradients for the $ 4s 4p \,\, ^3 \! P^o_{1} $ and $ 4s 4p \,\, ^3 \! P^o_{2} $ states, together with experimental values of the electric quadrupole hyperfine structure constants, made it possible to extract a nuclear electric quadrupole moment $ Q(^{67}{\rm Zn}) = 0.122(10) $ b. The error bar has been evaluated in a q…
We report a measurement of the transition amplitude ratio $χ$ of an electric quadrupole ($E2$) to a magnetic dipole ($M1$) of the $6P_{1/2}\rightarrow6P_{3/2}$ transition in atomic thallium. We utilized the electromagnetically induced transparency (EIT) mechanism and the sideband-bridging technique to resolve the isotopic transitions and their hyperfine manifold. Our measurement gave $χ_{205}~=~0.2550(20)(7)$ for $^{205}$Tl, and $χ_{203}=0.2532(73)(7)$ for $^{203}$Tl, which was measured for the first time. Our result provides a reference point for the theoretical calculation of atomic structur…
We report the magnetic dipole and electric quadrupole hyperfine coupling constants of 6 P_{3/2} state of ^{133} Cs(I= {7/2}) obtained from the relativistic coupled cluster (RCC) method. To our knowledge, no prior electric quadrupole hyperfine CC calculation is available for ^{133} Cs(6 P_{3/2}) state. Our computed magnetic dipole (A) and electric quadrupole (B) coupling constants are in excellent agreement with the experiment.
Spherically-symmetric ground states of alkali-metal atoms do not posses electric quadrupole moments. However, the hyperfine interaction between nuclear moments and atomic electrons distorts the spherical symmetry of electronic clouds and leads to non-vanishing atomic quadrupole moments. We evaluate these hyperfine-induced quadrupole moments using techniques of relativistic many-body theory and compile results for Li, Na, K, Rb, and Cs atoms. For heavy atoms we find that the hyperfine-induced quadrupole moments are strongly (two orders of magnitude) enhanced by correlation effects. We further a…
We report the observation of dipole-forbidden, but quadrupole-allowed, one-photon transitions to high Rydberg states in Rb. Using pulsed UV excitation of ultracold atoms in a magneto-optical trap, we excite $5s \to nd$ transitions over a range of principal quantum numbers $n=27-59$. Compared to dipole-allowed (E1) transitions from $5s \to np$, these E2 transitions are weaker by a factor of approximately 2000. We also report measurements of the anomalous $np_{3/2} : np_{1/2}$ fine-structure transition strength ratio for $n=28-75$. Both results are in agreement with theoretical predictions.
We consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength B of the external field, the only electric multipole moments, which are induced by the perturbation in the atom, are those of an even order. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30, 825 (1997); 30, 2747(E) (1997)], we derive a closed-form expression for the electric quadrupole moment induced in the atom in an arbitrary discrete energy eigenstate. The result, which has the form of a double fin…
We experimentally demonstrate the cesium electric quadrupole transition from the 6S1/2 ground state to the 7D3/2,5/2 excited state through a virtual level by using a single laser at 767 nm. The excited state energy level population is characterized by varying the laser power, the temperature of the vapor, and the polarization combinations of the laser beams. The optimized experimental parameters are obtained for a high resolution transition interval identification. The magnetic dipole coupling constant A and electric quadrupole coupling constant B for the 7D3/2,5/2 states are precisely determi…
The electric dipole-forbidden, quadrupole 6S1/2 <-> 5D3/2 transition in Ba+ near 2051 nm, with a natural linewidth of 13 mHz, is attractive for potential observation of parity non-conservation, and also as a clock transition for a barium ion optical frequency standard. This transition also offers a direct means of populating the metastable 5D3/2 state to measure the nuclear magnetic octupole moment in the odd barium isotopes. Light from a diode-pumped, solid state Tm,Ho:YLF laser operating at 2051 nm is used to coherently drive this transition between resolved Zeeman levels in a single trapped…
Electric quadrupole moments of the metastable nd3/2 and nd5/2 states of Ca+, Sr+, and Ba+ are calculated using the relativistic all-order method including all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function to provide recommended values for the cases where no experimental data are available. The contributions of all non-linear single and double terms are also calculated for the case of Ca+ for comparison of our approach with the CCSD(T) results. The third-order many body perturbation theory is used to evaluate contributions of high partial waves and the B…
The electric quadrupole moment for the $4d ^2D_{5/2}$ state of $\mathrm{^{88}Sr^+}$, one of the most important candidates for an optical clock, has been calculated using the relativistic coupled-cluster theory. The result of the calculation is presented and the important many-body contributions are highlighted. The calculated electric quadrupole moment is $(2.94\pm0.07)ea_{0}^{2}$, where $a_{0}$ is the Bohr radius and $e$ the electronic charge while the measured value is $(2.6\pm0.3)ea_{0}^{2}$. This is so far the most accurate determination of the electric quadrupole moment for the above ment…
The values of nuclear electric quadrupole moment are different by about 7% for 87Sr nucleus between the recommended value [N. J. Stone, At. Data Nucl. Data Tables 111-112, 1 (2016); P. Pyykko, Mol. Phys. 116, 1328 (2018)] and earlier results [e.g. A. M. Matensson-Pendrill, J. Phys. B: At. Mol. Opt. Phys. 35, 917 (2002); K. Z. Yu et al., Phys. Rev. A 70, 012506 (2004)]. In this work, we reported a new value, Q(87Sr) = 328(4) mb, making use of our calculated electric field gradients produced by electrons at nucleus in combination with experimental values for hyperfine structures of the 5s5p 3P1,…
In continuation to our earlier reported data on the electric dipole (E1) matrix elements and lifetimes of the metastable states of the alkaline earth ions in [Atomic Data and Nuc. Data Tables {\bf 137} (2021) 101381], we present here the tune-out and magic wavelengths of the Mg$^+$, Ca$^+$, Sr$^+$ and Ba$^+$ alkaline earth-metal ions by determining dynamic E1 polarizabilities. Furthermore, we have evaluated the electric quadrupole (E2) matrix elements of a large number of forbidden transitions using an all-order relativistic many-body method and compare them with the previously reported values…
The quadrupole interaction between the Rydberg electronic states of a Rydberg ion and the radio frequency electric field of the ion trap is analyzed. Such a coupling is negligible for the lowest energy levels of a trapped ion but it is important for a trapped Rydberg ion due to its large electric dipole moment. This coupling cannot be neglected by the standard rotating-wave approximation because it is comparable to the frequency of the trapping electric field. We investigate the effect of the quadrupole coupling by performing a suitable effective representation of the Hamiltonian. For a single…
Interaction of a strong laser pulse with matter transfers not only energy but also linear momentum of the photons. Recent experimental advances have made it possible to detect the small amount of linear momentum delivered to the photoelectrons in strong-field ionization of atoms. Linear momentum transfer is a unique signature of the laser-atom interaction beyond its dipolar limit. Here, we present a decomposition of the subcycle time-resolved linear momentum transfer in term of its multipolar components. We show that the magnetic dipole contribution dominates the linear momentum transfer durin…
We report on the coupling of an electric quadrupole transition in atom with plasmonic excitation in a nanostructured metallic metamaterial. The quadrupole transition at 685 nm in the gas of Cesium atoms is optically pumped, while the induced ground state population depletion is probed with light tuned on the strong electric dipole transition at 852 nm. We use selective reflection to resolve the Doppler-free hyperfine structure of Cesium atoms. We observed a strong modification of the reflection spectra at the presence of metamaterial and discuss the role of the spatial variation of the surface…
The response of matter to fields underlies the physical sciences, from particle physics to astrophysics, and from chemistry to biophysics. We observe an atom's response to an electric quadrupole field to second- and higher orders; this arises from the atom's electric quadrupole polarizability and hyperpolarizabilities. We probe a single atomic ion which is excited to Rydberg states and confined in the electric fields of a Paul trap. The quadrupolar trapping fields cause atomic energy level shifts and give rise to spectral sidebands. The observed effects are described well by theory calculation…
Growing and studying large Coulomb crystals, composed of tens to hundreds of thousands of ions, in linear quadrupole ion traps presents new challenges for trap implementation. We consider several trap designs, first comparing the total driven micromotion amplitude as a function of location within the trapping volume; total micromotion is an important point of comparison since it can limit crystal size by transfer of radiofrequency drive energy into thermal energy. We also compare the axial component of micromotion, which leads to first-order Doppler shifts along the preferred spectroscopy axis…
We consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength $B$ of the perturbing field, the only electric multipole moment induced by the field in the ground state of the atom is the quadrupole one. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30 (1997) 825; erratum 30 (1997) 2747], we derive a closed-form expression for the induced electric quadrupole moment. The result contains the generalized hypergeometric function $_{3}F_{2}$ of the unit argument. Earli…
Confinement of single ions in a novel radio-frequency (RF) quadrupole ion trap with spherical shape is investigated. An optimization of this spherical ion trap (SIT) is carried out in order to suppress its nonlinearity substantially by eliminating the electric octupole moment. Hence, a trapping potential and consequently an electric field very similar to the ideal quadrupole ion trap (QIT) are obtained. Afterwards, three stability regions for the optimized SIT are numerically computed. The regions coincide well with those reported in the literature for the ideal QIT. The reason is attributed t…
Light guided by an optical nanofibre can have a very steep evanescent field gradient extending from the fibre surface. This can be exploited to drive electric quadrupole transitions in nearby quantum emitters. In this paper, we report on the observation of the $5S_{1/2}$ $\rightarrow$ $4D_{3/2}$ electric quadrupole transition at 516.6 nm (in vacuum) in laser-cooled $^{87}$Rb atoms using only a few $μ$W of laser power propagating through an optical nanofibre embedded in the atom cloud. This work extends the range of applications for optical nanofibres in atomic physics to include more fundament…
We have completed a measurement of the $(6s^26p^2)\, ^3\!P_0 \rightarrow \, ^3\!P_2$ 939 nm electric quadrupole ($E2$) transition amplitude in atomic lead. Using a Faraday rotation spectroscopy technique and a sensitive polarimeter, we have measured this very weak $E2$ transition for the first time, and determined its amplitude to be $\langle ^3\!P_2 || Q || ^3\!P_0 \rangle$ = 8.91(9) a.u.. We also present an ab initio theoretical calculation of this matrix element, which agrees with experiment at the 0.5\% level. We heat a quartz vapor cell containing $^{208}$Pb to between 800 and 940 $^{\cir…
We obtain analytic solution of the time-independent Schrodinger equation in two dimensions for a charged particle moving in the field of an electric quadrupole. The solution is written as a series in terms of special functions that support a tridiagonal matrix representation for the angular and radial components of the wave operator. This solution is for all energies, the discrete (for bound states) as well as the continuous (for scattering states). The expansion coefficients of the wavefunction are written in terms of orthogonal polynomials satisfying three-term recursion relations. The charg…
We have employed the relativistic coupled cluster theory to calculate the magnetic dipole and electric quadrupole hyperfine constants for the ground and low lying excited states of singly ionized magnesium. Comparison with experimental and the other theoretical results are done and predictions are also made for a few low lying excited states which could be of interest. We have made comparative studies of the important many body effects contributing to the hyperfine constants for the different states of the ion.
Interactions between atoms and light fields are usually described in the electric-dipole approximation. We show that electric-quadrupole terms are important in the Kapitza-Dirac arrangement for light gratings on resonance with a quadrupole atomic transition. We derive the diffraction patterns, which in some cases are experimentally verifiable with the same techniques used with dipole transitions.
The $6S_{1/2}-5D_{5/2}$ electric quadrupole transition is investigated in Cesium vapor at room temperature via nonlinear Doppler-free 6P-6S-5D three-level spectroscopy. Frequency-resolved studies of individual E2 hyperfine lines allow one to analyze optical pumping dynamics, polarization selection rules and line intensities. It opens the way to studies of transfer of light orbital angular momentum to atoms, and the influence of metamaterials on E2 line spectra.
Intensities of all fine-structure resolved rovibrational electric quadrupole absorption lines in $^{16}$O$_2$($X^{3}Σ^{-}_{g}$) calculated with a new $\textit{ab initio}$ quadrupole moment curve
In this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities ($χ_{\textrm{M}1 \to \textrm{E}2}$) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge $Ze$. Numerical values of this susceptibility for the hydrogen atom ($Z=1$) and for hydrogenic ions with $2 \leqslant Z \leqslant 137$ are computed from the general analytical formula, recently derived by us [P. Stefa{ń}ska, Phys. Rev. A 93 (2016) 022504], valid for an arbitrary discrete energy eigenstate. In this work we provide 30 tables with the values of $χ_{\tex…
We present a method that uses radio-frequency pulses to cancel the quadrupole shift in optical clock transitions. Quadrupole shifts are an inherent inhomogeneous broadening mechanism in trapped ion crystals, limiting current optical ion clocks to work with a single probe ion. Cancelling this shift at each interrogation cycle of the ion frequency allows the use of $N>1$ ions in clocks, thus reducing the uncertainty in the clock frequency by $\sqrt{N}$ according to the standard quantum limit. Our sequence relies on the tensorial nature of the quadrupole shift, and thus also cancels other tensori…
We investigate electric quadrupole hyperfine structure constant ($B$) results in $^{135}$Ba$^+$ and $^{137}$Ba$^+$ and compare their ratios with the reported measurements of the ratio between the nuclear quadrupole moment ($Q$) values of these isotopes. We carry out confidence tests for the reported experimental $B$ values and calculations of $B/Q$ from the present work. Inconsistencies in the experimental $B$ values are observed in both the isotopes from different experiments performed using the same techniques. The present calculations are carried out using an all order relativistic many-bod…
By combining our theoretical calculation and recently measured electric quadrupole hyperfine structure constant of the $3d ^2D_{5/2}$ state in the singly ionized $^{43}$Ca, we determine its nuclear quadrupole moment to one percent accuracy. The obtained result, $-0.0444(6)b$, is about ten percent improvement over the considered standard value. We have employed the relativistic coupled-cluster theory at single and double excitations level to calculate the electronic wave functions. The accuracy of these wave functions are estimated by comparing our calculated magnetic dipole hyperfine constants…
The radiofrequency quadrupole linear ion trap is a widely used device in physics and chemistry. When used for trapping of large ion clouds, the presence of anharmonic terms in the radiofrequency potential limits the total number of stored ions. In this paper, we have studied the anharmonic content of the trapping potential for different implementations of a quadrupole trap, searching for the geometry best suited for the trapping of large ion clouds. This is done by calculating the potential of a real trap using SIMION8.0, followed by a fit, which allows us to obtain the evolution of anharmonic…
We propose a new ion-trap geometry to carry out accurate measurements of the quadrupole shifts in the $^{171}$Yb-ion. This trap will produce nearly ideal harmonic potential where the quadrupole shifts due to the anharmonic components can be reduced by four orders of magnitude. This will be useful to reduce the uncertainties in the clock frequency measurements of the $6s~{^2}S_{1/2} \rightarrow 4f^{13} 6s^2 ~{^2}F_{7/2}$ and $6s~{^2}S_{1/2} \rightarrow 5d ~{^2}D_{3/2}$ transitions, from which we can deduce precise values of the quadrupole moments ($Θ$s) of the $4f^{13} 6s^2 ~{^2}F_{7/2}$ and $5…
After the study of the three body molecular system H$_2^+$ ({\it J. Phys. B: At. Mol. Opt. Phys.} {\bf 45} 065101), its isotopomer, the deuterium molecular ion D$_2^+$ is studied. The three-body Schrödinger equation is solved using the Lagrange-mesh method in perimetric coordinates. Energies and wave functions for four vibrational states $v=0-3$ and bound or quasibound states for total orbital momenta from 0 to 56 are calculated. The 1986 fundamental constant $m_d=3670.483014\,m_e$ is used. The obtained energies have an accuracy from about 13 digits for the lowest vibrational state to at least…
We analyze the one-photon mechanism of $e^+e^-$ pair production in the collision of nonrelativistic nuclei. The contribution of electric quadrupole radiation of virtual photon to the corresponding cross section is found. The effect of the finite nuclear size is considered in detail. A comparison is made with the contribution of electric dipole radiation of virtual photon and with the contribution of the two-photon pair production mechanism. It is shown that the contribution of electric quadrupole radiation is dominant in a wide range of relative velocities. The cross section for the production…
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient) to the electric quadrupole hyperfine interaction constants $B$ for the $5p~^2P_{3/2}$ state in $^{109}$Cd$^+$ ion and the $5s5p~^3P_{1,2}$ states in neutral $^{109}$Cd atom were performed. To probe the sensitivity of $B$ to different electron correlation effects, six sets of variational multi-configuration Dirac-Hartree-Fock and relativistic configuration interaction calculations employing different strategies were carried out. The calculated electric field gradients, together with experimental v…
Recent advances in the high sensitivity spectroscopy have made it possible, in combination with accurate theoretical predictions, to observe for the first time very weak electric quadrupole transitions in a polar polyatomic molecule of water. Here we present accurate theoretical predictions of the complete quadrupole ro-vibrational spectrum of a non-polar molecule CO$_2$, important in atmospheric and astrophysical applications. Our predictions are validated by recent cavity enhanced absorption spectroscopy measurements and are used to assign few weak features in the recent ExoMars ACS MIR spec…
The three-body Schrödinger equation of the H$_2^+$ hydrogen molecular ion with Coulomb potentials is solved in perimetric coordinates using the Lagrange-mesh method. The Lagrange-mesh method is an approximate variational calculation with variational accuracy and the simplicity of a calculation on a mesh. Energies and wave functions of up to four of the lowest vibrational bound or quasibound states for total orbital momenta from 0 to 40 are calculated. The obtained energies have an accuracy varying from about 13 digits for the lowest vibrational state to at least 9 digits for the third vibratio…
