arXiv subjects

Ting-Yun Shi

Publications and source records attributed to Ting-Yun Shi.

At least 37 records · Page 2Linked to original sources

arXiv2021

Relativistic coupled-cluster calculation of hyperfine-structure constants of $^{229}$Th$^{3+}$ and evaluation of the electromagnetic nuclear moments of $^{229}$Th

$^{229}$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, $μ=0.359(9)$, 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, $μ=0.360(7)$, 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 $Ω$ of $^{229}$Th nucleus.

physics.atom-ph↗

arXiv2021

Proposal for suppressing ac Stark shift in the He($2\,^3S_1\rightarrow 3\,^3S_1$) two-photon transition using magic wavelengths

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.

physics.atom-ph↗

arXiv2021

Relativistic coupled-cluster-theory analysis of the hyperfine interaction of Ra$^{+}$ isotopes

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.

physics.atom-ph↗

arXiv2021

Probing Multiple Electric Dipole Forbidden Optical Transitions in Highly Charged Nickel Ions

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 $α$ 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$^{-19}$.

physics.atom-ph↗

arXiv2020

Precision calculation of hyperfine structure and the Zemach radii of $^{6,7}$Li$^+$ ions

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$^+$.

physics.atom-ph↗

arXiv2020

Complex coordinate rotation method based on gradient optimization

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.

physics.atom-ph↗

arXiv2020

Magic intensity trapping of the Mg lattice clock with light shift suppressed below $10^{-19}$

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.

physics.atom-ph↗

arXiv2019

Calculations of Bethe logarithms for Hydrogen and Helium atoms using B-splines in different gauges

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.

physics.atom-ph↗

arXiv2019

Dynamic multipolar polarizabilities and hyperpolarizabilities of the Sr lattice clock

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)].

physics.atom-ph↗

arXiv2019

Application of the Hylleraas-$B$-spline basis set: Nonrelativistic Bethe logarithm of helium

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.

physics.atom-ph↗

arXiv2019

QED and relativistic nuclear recoil corrections to the 413 nm tune-out wavelength for the $2\,^3S_1$ state of helium

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$σ$ 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.

physics.atom-ph↗

arXiv2018

Relativistic full-configuration-interaction calculations of magic wavelengths for the $2\,^3S_1\rightarrow2\,^1S_0$ transition of helium isotopes

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.

physics.atom-ph↗

arXiv2017

An application of the Hylleraas-B-splines basis set: High accuracy calculations of the static dipole polarizabilities of helium

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.

physics.atom-ph↗

arXiv2015

Dynamic dipole polarizabilities for the low-lying triplet states of helium

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~$μ$m for the four lowest triplet states are identified, and the magic wavelengths in the range from 460~nm to 3.5~$μ$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 $(2\,^3S \to 2\,^3P) / (3\,^3P\to 6\,^3S)$.

physics.atom-ph↗

arXiv2014

High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for the lowlying vibrational-rotational states of hydrogen molecular ions

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.

physics.atom-ph↗

arXiv2013

Dynamic polarizabilities for the low lying states of Ca+

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.

physics.atm-clus↗

arXiv2012

Precision spectroscopy of the hydrogen molecular ions HD$^+$

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 $R_{\infty}α^2$ 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)].

physics.atom-ph↗

arXiv2012

The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms

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.

physics.atom-ph↗