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The significant discrepancy in the difference of squared nuclear charge radii $\Delta R^2$ of $^{3,4}$He obtained from electronic-atom or muonic-atom energy levels is a puzzle. In this paper, we show that the tension is resolved by including off-diagonal mixing effects due to the hyperfine interaction. Our findings indicate that the hyperfine mixing effect from the $n\,^3\!S$ and $n\,^1\!S$ states ($n>2$) of $^3$He leads to a $-1.37$ kHz adjustment in the isotope shift of the $2\,^1\!S-2\,^3\!S$ transition, surpassing the current uncertainty by a factor of $7$. This results in a change of $-0.0064~\rm{fm}^2$ in $\Delta R^2$, shifting from $1.0757(15)~\mathrm{fm}^2$ to $1.0693(15)~\mathrm{fm}^2$ as determined by Werf {\it et al.}, significantly reducing the discrepancy with the value of $1.0636(31)~\mathrm{fm}^2$ determined by $\mu\rm{He}^+$, and aligning with the result of $1.069(3)$ $\mathrm{fm}^2$ obtained from the $2\,^3\!S-2\,^3\!P$ transition. This adjustment will result in a noticeable change in the absolute nuclear charge radius of $^{3}$He by $-0.0017~\rm{fm}$, aligning the revised value of $1.9715(11)~\mathrm{fm}$ with the value of $1.97007(94)~\mathrm{fm}$ determined by $\mu^3\rm{He}^+$ within $1\sigma$. Our results offer crucial insights into resolving discrepancy in $\Delta R^2$ for $^{3,4}$He and determining the charge radius of $^3$He.

In this article we propose a simple approach for the precision calculation of Bethe logarithm. The leading contributions are obtained using specific operators, while the remaining terms are eliminated by adjusting the parameter $\lambda$. Through the use of dimensional regularization, singular divergences are algebraically canceled. Compared to the standard form of Bethe logarithm, our approach significantly reduces the complexity of constructing pseudostates in numerical evaluations. Using this approach we obtain a very highly precise result of Bethe logarithm for the ground state of the hydrogen, achieving 49 significant digits. And for multi-electron systems this approach appears simplicity and efficiency as well., Comment: 8 pages, 5 tables

The optical Ramsey technique is used to obtain precise measurements of the hyperfine splittings in the $2\,^3\!S_1$ and $2\,^3\!P_J$ states of $^7$Li$^+$. Together with bound-state quantum electrodynamic theory, the Zemach radius and quadrupole moment of the $^7$Li nucleus are determined to be $3.35(1)$~fm and $-3.86(5)$~fm$^2$ respectively, with the quadrupole moment deviating from the recommended value of $-4.00(3)$~fm$^2$ by $1.75\sigma$. Furthermore, we determine the quadrupole moment ratio of $^6$Li to $^7$Li as $0.101(13)$, exhibiting a $6\sigma$ deviation from the previous measured value of $0.020161(13)$ by LiF molecular spectroscopy. The results taken together provide a sensitive test of nuclear structure models.

We investigate the effects of $p$-wave interactions on Efimov trimers in systems comprising two identical heavy fermions and a light particle, with mass ratios larger than $13.6$. Our focus lies on the borromean regime where the ground-state trimer exists in the absence of dimers. Using pair-wise Lennard-Jones potentials and concentrating on the $L^{\pi} = 1^{-}$ symmetry, we explore the critical value of the interspecies $s$-wave scattering length $a_{c}$ at which the borromean state appears in several two-component particle systems. We study the universal properties of $a_{c}$ and the influence of $p$-wave fermion-fermion interactions on its value. Our findings show that, in the absence of $p$-wave fermion-fermion interactions, $a_{c}$ is universally determined by the van der Waals radius and mass ratio. However, when attractive interactions between the two fermions are introduced, the formation of the borromean state becomes favored over the absence of $p$-wave fermion-fermion interaction. Furthermore, we demonstrate that the $p$-wave Efimov effects persist even when the fermion-fermion interaction is taken to the $p$-wave unitary limit.

The theoretical calculations of the dynamic E2-M1 polarizability at the magic wavelength of the Sr optical clock are inconsistent with experimental results. We investigate role of negative-energy states in the E2 and M1 polarizabilities. Our result for E2-M1 polarizability difference $-$7.74(3.92)$\times$10$^{-5}$ a.u. is dominated by the contribution from negative-energy states to M1 polarizability and has the same sign as and consistent with all the experimental values. In addition, we apply the present calculations to various other optical clocks, further confirming the importance of negative-energy states to the M1 polarizability., Comment: 7 pages, 3 figures, arXiv admin note: this is an extended version of arXiv:2301.06740

We investigate the $2\,^3\!S_1$--$2\,^3\!P_J$ ($J = 0, 1, 2$) transitions in $\rm^6Li^+$ using the optical Ramsey technique and achieve the most precise values of the hyperfine splittings of the $2\,^3\!S_1$ and $2\,^3\!P_J$ states, with smallest uncertainty of about 10~kHz. The present results reduce the uncertainties of previous experiments by a factor of 5 for the $2\,^3\!S_1$ state and a factor of 50 for the $2\,^3\!P_J$ states, and are in better agreement with theoretical values. Combining our measured hyperfine intervals of the $2\,^3\!S_1$ state with the latest quantum electrodynamic (QED) calculations, the improved Zemach radius of the $\rm^6Li$ nucleus is determined to be 2.44(2)~fm, with the uncertainty entirely due to the uncalculated QED effects of order $m\alpha^7$. The result is in sharp disagreement with the value 3.71(16) fm determined from simple models of the nuclear charge and magnetization distribution. We call for a more definitive nuclear physics value of the $\rm^6Li$ Zemach radius., Comment: 6 pages, 6 figures

The breakdown of Efimov universal relations between resonances and interference features in ultracold $^{40}$K-$^{87}$Rb mixtures has sparked much discussion. In this study, we investigate the atom-dimer elastic scattering and three-body recombination (TBR) rates with $J=0$ symmetry for a $^{87}$Rb-$^{87}$Rb-$^{40}$K system to understand the mechanisms underlying this breakdown. We use the R-matrix propagation method in a hyperspherical coordinate frame with the Lennard-Jones model potential describing the interactions between atoms. We extract the atom-dimer scattering length, cross sections and three-body recombination rates with a finite intraspecies scattering length. An atom-dimer elastic scattering resonance at negative interspecies scattering length is found, which is due to the presence of the near-threshold trimer state at the atom-dimer threshold ($^{40}$K + $^{87}$Rb$^{87}$Rb). In addition, we predict an Efimov recombination minima at positive interspecies scattering length, which is outside the range of previous measurements. Our calculations show that the breakdown of the universal relations predicted by zero-range theory can be attributed to the effective range corrections and finite intraspecies scattering length. The present results help elucidate the universal relations between Efimov features as well as the importance of finite-range corrections for mixed systems., Comment: 20 pages,10 figures

With the improvement of high-precision optical clock, the higher-order multipolar interaction between atoms and light needs quantitative evaluation. However for the Sr clock, the differential dynamic E2-M1 polarizability at the magic wavelength has contradictions among available theoretical and experimental results. Recently, the new experimental measurement of S. D\"{o}rscher {\em et al.} [arXiv: 2210. 14727] is consistent with measurement of Ushijima {\em et al.}, which poses new challenges to theory and urgently calls for theoretical explanations. In present work, we investigate contributions of negative-energy states to the E2 and M1 polarizabilities. We find that for the M1 polarizability, the contribution from negative-energy states is crucial and dominant. Our new theoretical result for E2-M1 polarizability difference is $-7.74(3.92)\times 10^{-5}$ a.u., which is in good agreement with the recent experiment of S. D\"{o}rscher et al., so the inconsistency problem of E2-M1 polarizability in the Sr clock between theory and experiment is eliminated., Comment: 5 pages, 1 figure

B-spline functions have been widely used in computational atomic physics. Different from the traditional B-spline basis (a simple product of two B-splines), the recently developed correlated B-spline basis functions(C-BSBF), in which the interelectronic coordinate $r_{12}$ is included explicitly, have greatly improved the computational accuracy of polarizability [S. J. Yang \textit{et al}., Phys. Rev. A \textbf{95}, 062505 (2017)] and bethe logarithm [ S. J. Yang \textit{et al}., Phys. Rev. A \textbf{100}, 042509 (2019)] for singlet states of helium. Here, we report the extension of the C-BSBF to the leading relativistic and QED correction calculations for energy levels of the $1\,^1S$, $2\,^1S$, $2\,^3S$, and $3\,^3S$ states of helium. The relativistic kinetic term $p_{1}^{4}$, contact potential $\delta^{3}(r_{1})$, $\delta^{3}(r_{12})$ and Araki-Sucher correction $\langle 1/r_{12}^{3} \rangle$ are calculated by using the global operator method, in which $r_{12}^n$ and $r_{12}^n\ln r_{12}$ involved are calculated with the generalization of Laplace's expansions. The obtained values for the ground state are $\delta E_{rel}/\alpha ^{2}=-$1.951 754 7(2) and $\delta E_{QED}/\alpha^{3}=$57.288 165(2), consistent with previous results, which opens the possibility of calculating higher-order relativistic and QED effects using the C-BSBF.

The hyperfine structures of the $2\,^3\!S_1$ and $2\,^3\!P_J$ states of the $^7$Be$^{2+}$ and $^9$Be$^{2+}$ ions are investigated within the framework of the nonrelativistic quantum electrodynamics (NRQED). The uncertainties of present hyperfine splitting results of $^9$Be$^{2+}$ are in the order of several tens of ppm, where two orders of magnitude improvement over the previous theory and experiment values has been achieved. The contribution of nuclear electric quadrupole moment to hyperfine splitting of $^7$Be$^{2+}$ has been studied. A scheme for determining the properties of Be nuclei in terms of Zemach radius or the electric quadrupole moment based on precise spectra is proposed, and it opens a new window for the study of Be nuclei.

In this study, we investigate atom--dimer scattering within the framework of the hyperspherical method. The coupled channel Schr\"odinger equation is solved using the R-matrix propagation technique combined with the smooth variable discretization method. In the matching procedure, the asymptotic wave functions are expressed in the rotated Jacobi coordinates. We apply this approach to the elastic scattering $^{3}$He(T$\uparrow$) + $^{4}$He$_{2}$ and H$\uparrow$ + H$\uparrow$Li processes. The convergence of the scattering length as a function of the propagation distance is studied. We find that the method is reliable and can provide considerable savings over previous propagators.

$^{229}$Th is a promising candidate for developing a nuclear optical clock and searching the new physics beyond the standard model. Accurate knowledge of the nuclear properties of $^{229}$Th is very important. In this work, we calculate hyperfine-structure constants for the first four states of $^{229}$Th$^{3+}$ using the relativistic coupled-cluster method based on the Gauss basis set. The no-pair Dirac-Coulomb-Breit Hamiltonian with the lowest-order quantum electrodynamics (QED) correction is the starting point, together with all linear and non-linear terms of single and double excitations are included in coupled-cluster calculation. With the measured value of the hyperfine-structure constants [Phys. Rev. Lett. 106. 223001(2011)], we get the magnetic dipole moment, $\mu=0.359(9)$, and the electric quadrupole moment, $Q=2.95(7)$, of the $^{229}$Th nucleus. Our magnetic dipole moment is perfectly consistent with the recommended values, $\mu=0.360(7)$, from the all-order calculation by Safronova \textit{et. al.}[Phys.Rev.A 88, 060501 (2013)], but our electric quadrupole moment is smaller than their recommended value, $Q=3.11(6)$, about 5\%. Our results show that the non-linear terms of single and double excitations, which were not included in the all-order calculation by Safronova \textit{et. al.}, are very crucial to produce a precise $Q$ value of $^{229}$Th. Additionally, we also present magnetic octupole hyperfine-structure constants and some important non-diagonal hyperfine transition matrix elements, which are required for further extracting the magnetic octupole moment $\Omega$ of $^{229}$Th nucleus.

Motivated by recent direct measurement of the forbidden $2\,^3S_1\rightarrow3\,^3S_1$ transition in helium [K. F. Thomas et al., Phys. Rev. Lett. 125, 013002(2020)], where the ac Stark shift is one of the main systematic uncertainties, we propose a dichroic two-photon transition measurement for $2\,^3S_1\rightarrow3\,^3S_1$ which could effectively suppress the ac Stark shift by utilizing magic wavelengths: one magic wavelength is used to realize state-insensitive optical trapping, the other magic wavelength is used as one of the two lasers driving the two-photon transition. Carrying out calculations based on the no-pair Dirac-Coulomb-Breit Hamiltonian with mass shift operator included, we report the magic wavelength of 1265.615 9(4) nm for $^4$He [or 1265.683 9(2) nm for $^3$He] can be used to design an optical dipole trap; the magic wavelength of 934.234 5(2) nm for $^4$He [or 934.255 4(4) nm for $^3$He] can be as one excitation laser in the two-photon process, and the ac Stark shift can be reduced to less than 100 kHz, as long as the intensity of the other excitation laser does not exceed $1\times10^4~W/cm^2$. Alternatively, by selecting detuning frequencies relative to the $2\,^3P$ state in the region of 82$\sim$103 THz, as well as adjusting the intensity ratios of the two lasers, the ac Stark shift in the $2\,^3S_1\rightarrow3\,^3S_1$ two-photon transition can be cancelled., Comment: 9 pages, 5 figures

Hyperfine-structure constants of odd Ra$^{+}$ due to the interactions of nuclear magnetic dipole, electric quadrupole, and magnetic octupole moments with the electrons are investigated in the framework of relativistic coupled-cluster method within single- and double-excitation approximation. The calculated energies and magnetic dipole hyperfine-structure constants $A$ exhibit a good agreement with available experimental values. Combining with the experimental electric quadrupole hyperfine-structure constant, we also extracted the electric quadrupole moments $Q$ of $^{209,211,221,223}$Ra. Our $Q$($^{221}$Ra) and $Q$($^{223}$Ra) are consistent with the referenced values from a semi-empirical analysis (Z. Phys. D: At., Mol. Clusters 11, 105 (1988)), but $Q(^{211}$Ra)=$0.33(2)$ is smaller than the referenced value $0.48(4)$ by about 30\%. Furthermore, we also performed a procedure for assessing the contributions of magnetic octupole moment to the hyperfine splitting. The sensitivity of hyperfine-structure interval measurements in $^{223}$Ra$^{+}$ that can reveal the effect caused by the nuclear octupole moment are found to be on the order of kHz.

Highly charged ions (HCIs) are promising candidates for the next generation of atomic clocks, owing to their tightly bound electron cloud, which significantly suppresses the common environmental disturbances to the quantum oscillator. Here we propose and pursue an experimental strategy that, while focusing on various HCIs of a single atomic element, keeps the number of candidate clock transitions as large as possible. Following this strategy, we identify four adjacent charge states of nickel HCIs that offer as many as six optical transitions. Experimentally, we demonstrated the essential capability of producing these ions in the low-energy compact Shanghai-Wuhan Electron Beam Ion Trap. We measured the wavelengths of four magnetic-dipole ($M$1) and one electric-quadrupole ($E$2) clock transitions with an accuracy of several ppm with a novel calibration method; two of these lines were observed and characterized for the first time in controlled laboratory settings. Compared to the earlier determinations, our measurements improved wavelength accuracy by an order of magnitude. Such measurements are crucial for constraining the range of laser wavelengths for finding the "needle in a haystack" narrow lines. In addition, we calculated frequencies and quality factors, evaluated sensitivity of these six transitions to the hypothetical variation of the electromagnetic fine structure constant $\alpha$ needed for fundamental physics applications. We argue that all the six transitions in nickel HCIs offer intrinsic immunity to all common perturbations of quantum oscillators, and one of them has the projected fractional frequency uncertainty down to the remarkable level of 10$^{-19}$., Comment: To be published in Physical Review A

The hyperfine structures of the $2\,^3\!S_1$ states of the $^6$Li$^+$ and $^7$Li$^+$ ions are investigated theoretically to extract the Zemach radii of the $^6$Li and $^7$Li nuclei by comparing with precision measurements. The obtained Zemach radii are larger than the previous values of Puchalski and Pachucki [\href{https://link.aps.org/doi/10.1103/PhysRevLett.111.243001}{Phys. Rev. Lett. {\bf 111}, 243001 (2013)}] and disagree with them by about 1.5 and 2.2 standard deviations for $^6$Li and $^7$Li, respectively. Furthermore, our Zemach radius of $^6$Li differs significantly from the nuclear physics value, derived from the nuclear charge and magnetic radii [\href{https://link.aps.org/doi/10.1103/PhysRevA.78.012513}{Phys. Rev. A {\bf 78}, 012513 (2008)}], by more than 6 sigma, indicating an anomalous nuclear structure for $^6$Li. The conclusion that the Zemach radius of $^7$Li is about 40\% larger than that of $^6$Li is confirmed. The obtained Zemach radii are used to calculate the hyperfine splittings of the $2\,^3\!P_J$ states of $^{6,7}$Li$^+$, where an order of magnitude improvement over the previous theory has been achieved for $^7$Li$^+$.

In atomic, molecular, and nuclear physics, the method of complex coordinate rotation is a widely used theoretical tool for studying resonant states. Here, we propose a novel implementation of this method based on the gradient optimization (CCR-GO). The main strength of the CCR-GO method is that it does not require manual adjustment of optimization parameters in the wave function; instead, a mathematically well-defined optimization path can be followed. Our method is proven to be very efficient in searching resonant positions and widths over a variety of few-body atomic systems, and can significantly improve the accuracy of the results. As a special case, the CCR-GO method is equally capable of dealing with bound-state problems with high accuracy, which is traditionally achieved through the usual extreme conditions of energy itself., Comment: 4 pages, 2 figures

Progress in atomic optical clocks with total uncertainty of $10^{-18}$ or below requires a precise estimation of multipolar and higher-order effects due to atom-field interactions. Magnesium is an attractive candidate for optical lattice clocks because it is insensitive to blackbody radiation and has a large quality factor. We employ a combined method of the Dirac-Fock plus core polarization and the relativistic configuration interaction to calculate the dynamic multipolar polarizabilities and the hyperpolarizabilities of the atomic Mg clock. The lattice light shift against variation of the laser detuning and trap depth is also investigated. We find that there exists a distinctive operational magic lattice intensity of $5.33(2)E_R$ ($E_R$ is the lattice photon recoil energy) that reduces the total light shift below $1\times 10^{-19}$ over 14\% of the trap depth variation, which will pave the way for the development of a new time-frequency standard of the Mg lattice clock., Comment: 6 pages, 1 figures

In this work, we report an application of Hylleraas-$B$-spline basis set to the nonrelativistic Bethe logarithm calculation of helium. The Bethe logarithm for $n\ ^1S$, $n$ up to 10, states of helium are calculated with a precision of 7-9 significant digits in two gauges, which greatly improves the accuracy of the traditional $B$-spline basis set. In addition, to deal with the numerical linear correlation problem in Bethe logarithm calculation, we developed a multiple-precision generalized symmetric eigenvalue problem solver (MGSEPS). This program may be very useful to precision calculations., Comment: 8 pages, 1 figure

The progress in optical clock with uncertainty at a level of $10^{-18}$ requires unprecedented precision in estimating the contribution of multipolar and higher-order effects of atom-field interactions. Current theoretical and experimental results of dynamic multipolar polarizabilities and hyperpolarizabilities at the magic wavelength for the Sr clock differ substantially. We develop a combined approach of the Dirac-Fock plus core polarization (DFCP) and relativistic configuration interaction (RCI) methods to calculate dynamic multipolar polarizabilities and hyperpolarizabilities of the Sr atom. Our differential dynamic hyperpolarizability at the magic wavelength is $-2.09(43)\times10^{7}$ a.u., which is consistent with the existing theoretical and experimental results. Our differential multipolar polarizability is $2.68(94)\times 10^{-5}$ a.u., which validates independently the theoretical work of Porsev {\em et al.} [Phys. Rev. Lett. 120, 063204 (2018)], but different from recent measurement of Ushijima {\em et al.} [Phys. Rev. Lett. 121, 263202 (2018)]., Comment: 7 pages, 2 figures, Comments and suggestions are welcome!

The efficient and simple B-splines variational method of calculating the hydrogen atom Bethe logarithms in the acceleration gauge [Y-B Tang et.al., Phys. Rev. A $\mathbf{87}$, 022510 (2013)] is successfully applied to other gauges. The ground state Bethe logarithm of H with fourteen accurate figures is obtained in the velocity gauge, and in the length gauge the ground state value has eleven accurate figures. Present velocity- and length-gauge results for the $ns$, $np$, $nd$, and $nf$ states up to $n = 200$ of H are at the 10$^{-10}$ level of accuracy. This represents the successful variational attempt to calculate Bethe logarithms of the hydrogen atom in the velocity and length gauges. Furthermore, the B-splines variational method is successfully extended to the helium atom by the aid of configuration interaction. Bethe logarithms for $n\,^{1,3}S\,\,(n=1-8)$ states are calculated in three different gauges. The acceleration-gauge value of 4.364 036 7(2) a.u. and the velocity-acceleration gauge value of 4.364 036 4(2) a.u. for the $2\,^3S$ state are achieved, which are both at the 10$^{-7}$ level of accuracy. For other triplet states, present results in three different gauges all have five to seven accurate figures. While for the singlet states, the best convergent values are obtained in the pa-gauge, of which the numerical precision is also at the $10^{-5}$ to $10^{-7}$ level of accuracy.

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 tune-out wavelengths for the $2\,^3S_1(M_J=0)$ and $2\,^3S_1(M_J=\pm 1)$ states are 413.084 26(4) nm and 413.090 15(4) nm, respectively. Compared with the only current experimental value of 413.0938(9stat)(20syst) nm for the $2\,^3S_1(M_J=\pm 1)$ state, there is 1.8$\sigma$ discrepancy between present theoretical work and experiment, which stimulates further theoretical and higher-precision experimental investigations on the 413 nm tune-out wavelength. In addition, we also determine the QED correction for the static dipole polarizability of the He($2\,^3S_1$) state to be 22.5 ppm, which may enable a new test of QED in the future., Comment: 6 pages; 2 figures

A large-scale full-configuration-interaction calculation based on Dirac-Coulomb-Breit (DCB) Hamiltonian is performed for the $2\,^1S_0$ and $2\,^3S_1$ states of helium. The operators of the normal and specific mass shifts are directly included in the DCB framework to take the finite nuclear mass correction into account. High-accuracy energies and matrix elements involved n (the main quantum number) up to 13 are obtained from one diagonalization of Hamiltonian. The dynamic dipole polarizabilities are calculated by using the sum rule of intermediate states. And a series of magic wavelengths with QED and hyperfine effects included for the $2\,^3S_1\rightarrow2\,^1S_0$ transition of helium are identified. In addition, the high-order Ac Stark shift determined by the dynamic hyperpolarizabilities at the magic wavelengths are also evaluated. Since the most promising magic wavelength for application in experiment is 319.8 nm, the high-accuracy magic wavelength of 319.815 3(6) nm of $^4$He is in good agreement with recent measurement value of 319.815 92(15) nm [Nature Physics (2018)/arXiv:1804.06693], and present magic wavelength of 319.830 2(7) nm for $^3$He would provide theoretical support for experimental designing an optical dipole trap to precisely determine the nuclear charge radius of helium in future., Comment: 7 pages, 1 figures

The Hylleraas-B-splines basis set is introduced in this paper, which can be used to obtain the eigenvalues and eigenstates of helium-like system's Hamiltonian. Comparing with traditional B-splines basis, the rate of convergence of our results has been significantly improved. Through combine this method and pseudo-states sum over scheme, we obtained the high precision values of static dipole porlarizabilities of the $1{}^1S-5{}^1S$, $2{}^3S-6{}^3S$ states of helium in length and velocity gauges respectively, and the results get good agreements. The final extrapolate results of porlarizabilities in different quantum states arrived eight significant digits at least, which fully illustrates the advantage and convenience of this method in the problems involving continuous states., Comment: 7 pages, 1 figure and 6 tables

The dynamic dipole polarizabilities for the four lowest triplet states ($2\,^3S$, $3\,^3S$, $2\,^3P$ and $3\,^3P$) of helium are calculated using the B-spline configuration interaction method. Present values of the static dipole polarizabilities in the length, velocity and acceleration gauges are in good agreement with the best Hylleraas results. Also the tune-out wavelengths in the range from 400 nm to 4.2~$\mu$m for the four lowest triplet states are identified, and the magic wavelengths in the range from 460~nm to 3.5~$\mu$m for the $2\,^3S \to 3\,^3S$, $2\,^3S \to 2\,^3P$, and $2\,^3S \to 3\,^3P$ transitions are determined. We show that the tune-out wavelength of $2\,^3S$ state is 413.038 28(3) nm, which corroborates the value of Mitroy and Tang (Phys. Rev. A 88, 052515 (2013)), and the magic wavelength around 1066 nm for the $2\,^3S \to 3\,^3P$ transition can be expected for precision measurement to determine the ratio of transition matrix elements $(2\,^3S \to 2\,^3P) / (3\,^3P\to 6\,^3S)$., Comment: 19 pages, 6 figures

The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly correlated Hylleraas basis sets. The calculations are fully nonadiabatic; the Born-Oppenheimer approximation is not used. Comparisons are made with published theoretical and experimental results, where available. In our approach, no derivatives of energy functions nor derivatives of response functions are needed. In particular, we make contact with earlier calculations in the Born-Oppenheimer calculation where polarizabilities were decomposed into electronic, vibrational, and rotational contributions and where hyperpolarizabilities were determined from derivatives of energy functions. We find that the static hyperpolarizability for the ground state of HD$^+$ is seven orders of magnitude larger than the corresponding dipole polarizability. For the dipole polarizability of HD$^+$ in the first excited-state the high precision of the present method facilitates treatment of a near cancellation between two terms. For applications to laser spectroscopy of trapped ions we find tune-out and magic wavelengths for the HD$^+$ ion in a laser field. In addition, we also calculate the first few leading terms for long-range interactions of a hydrogen molecular ion interacting with a ground-state H, He, and Li atoms., Comment: 7 figures

We introduce one-center method in spherical coordinates to carry out Hartree-Fock calculations. Both the radial wave function and the angular wave function are expanded by B-splines, and the radial knots and angular knots are adjusted to deal with cusps properly, resulting in the significant improvement of convergence for several typical closed-shell diatomic molecules. B-splines could represent both the bound state and continuum state wave function properly, and the present approach has been applied to investigating ionization dynamics for H$_2$ in the intense laser field adopting single-active-electron model.

The dynamic polarizabilities of the 4s, 3d and 4p states of Ca$^+$, are calculated using a relativistic structure model. The wavelengths at which the Stark shifts between different pairs of transitions are zero are computed. Experimental determination of the magic wavelengths can be used to estimate the ratio of the $f_{3d_{J}\to 4p_{J'}}$ and $f_{4s_{1/2} \to 4p_{J'}}$ oscillator strengths. This could prove valuable in developing better atomic structure models and in particular lead to improved values of the polarizabilities needed in the evaluation of the blackbody radiation shift of the Ca$^+$ ion., Comment: 12 pages, 5 figures (accepted)

Expectation values of the Breit operators and the $Q$ terms are calculated for HD$^+$ with the vibrational number $v=0-4$ and the total angular momentum $L=0-4$. Relativistic and radiative corrections to some ro-vibrational transition frequencies are determined. Numerical uncertainty in $R_{\infty}\alpha^2$ order correction is reduced to sub kHz or smaller. Our work provides an independent verification of Korobov's calculations [Phys. Rev. A {\bf74}, 052506 (2006); {\bf77}, 022509 (2008)]., Comment: 6 pages, 6 tables, 32 references

The long-range non-additive three-body dispersion interaction coefficients $Z_{111}$, $Z_{112}$, $Z_{113}$, and $Z_{122}$ are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb) and the alkaline-earth atoms (up to Sr). The term $Z_{111}$, arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms $Z_{112}$, $Z_{113}$, and $Z_{122}$ arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as DDQ, DDO, and DQQ coefficients. Results for the four $Z$ coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data., Comment: 17 pages

The dynamic dipole polarizabilities for the Li atom and the Be+ ion in the 2s and 2p states are calculated using the variational method with a Hylleraas basis. The present polarizabilities represent the definitive values in the non-relativistic limit. Corrections due to relativistic effects are also estimated. Analytic representations of the polarizabilities for frequency ranges encompassing the n=3 excitations are presented. The recommended polarizabilities for ^7Li and ^9Be+ were 164.11 \pm 0.03 a.u. and 24.489 \pm 0.004 a.u..

The polarizabilities and hyperpolarizabilities of the Be$^+$ ion in the $2^2S$ state and the $2^2P$ state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas basis set expansions and ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be$^+$ ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-$L$ Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available., Comment: 18 pp; added details to Sec. II

The electric dipole polarizabilities and hyperpolarizabilities for the lithium isotopes $^6$Li and $^7$Li in the ground state $2^2S$ and the excited states $2^2P$ and $3^2D$, as well as the leading resonance and dispersion long-range coefficients for the Li($2^2S$)--Li($2^2S$) and Li($2^2S$)--Li($2^2P$) systems, are calculated nonrelativistically using variational wave functions in Hylleraas basis sets. Comparisons are made with published results, where available. We find that the value of the second hyperpolarizability of the $2^2S$ state is sensitive to the isotopic mass due to a near cancellation between two terms. For the $3^2D$ state polarizability tensor the calculated components disagree with those measured in the sole experiment and with those calculated semi-empirically., Comment: 20 pages

Using the coupled cluster expansion with the random phase approximation, we calculate the long wavelength vacuum wave function and the vacuum energy of 2+1 dimensional Hamiltonian SU(2) lattice gauge theory (LGT) up to the seventh order. The coefficients $\mu_0$, $\mu_2$ of the vacuum wave function show good scaling behavior and convergence in high order calculations.