Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical Review A

Relativistic coupled-cluster calculations of the polarizabilities of atomic thallium

Yong-Bo Tang, Ningning Gao, Bing-Qiong Lou, Ting-Yun Shi

Published Dec 14, 2018• 10 citations
Publisher

Abstract

Using the relativistic coupled-cluster method, we calculate the static dipole polarizabilities of the $6p$, $7s$, $7p$, $8s$, $8p$, and $6d$ states and the dynamic dipole polarizabilities of the $6p$ and $7s$ states of the thallium atom. The trivalent thallium atom is computationally treated as a monovalent system, together with all linear and nonlinear terms of single- and double-cluster operators included in the correlation calculations. We observe that the dominating contributions to the static scalar polarizabilities of the $7{s}_{1/2}$, $7{p}_{1/2}$, $8{p}_{1/2}$, and $8{p}_{3/2}$ states are from one or two specific transitions. The matrix elements of these specific transitions can be determined by combining the experimental values of relevant static scalar polarizabilities. A number of magic wavelengths for the $6{p}_{1/2}$--$7s$ and $6{p}_{3/2}$--$7s$ transitions in the range of 488--1300 nm and the longest tune-out wavelength of the ground state are determined. These magic wavelengths and tune-out wavelength may be useful for further thallium experiments. Experimental measurements of the magic wavelengths near 1245 nm would give estimates of the $7{s}_{1/2}$--$7{p}_{1/2}$ and $7{s}_{1/2}$--$7{p}_{3/2}$ transition matrix elements and their ratio. Furthermore, lifetimes of many excited states, as well as the Stark-induced scalar and vector dipole polarizabilities for the $6{p}_{1/2}$--$7{p}_{1/2}$ transition, are also evaluated and compared with available theoretical and experimental values.

DOI
10.1103/physreva.98.062511

Related papers

Determination of magic wavelengths for the 7s S1/22−7p P3/2,1/22 transitions in Fr

Sukhjit Singh Sehra, B. K. Sahoo, Bindiya Arora

Magic wavelengths (${\ensuremath{\lambda}}_{\mathrm{magic}}$) for the $7{S}_{1/2}\ensuremath{-}7{P}_{1/2,3/2}$ transitions (D lines) in Fr were reported by Dammalapati et al. [U. Dammalapati, K. Harada, and Y. Sakemi, Phys. Rev. A 93, 043407 (2016)]. These ${\ensuremath{\lambda}}_{\mathrm{magic}}$ were determined by plotting dynamic polarizabilities ($\ensuremath{\alpha}$) of the involved states with the above transitions against a desired range of wavelengths. Electric dipole (E1) matrix elements listed in [J. E. Sansonetti, J. Phys. Chem. Ref. Data 36, 497 (2007)], from the measured lifetimes of the $7{P}_{1/2,3/2}$ states and from the calculations considering core-polarization effects in the relativistic Hartree-Fock (HFR) method, were used to determine $\ensuremath{\alpha}$. However, contributions from core correlation effects and from the E1 matrix elements of the $7P\ensuremath{-}7S, 7P\ensuremath{-}8S$, and $7P\ensuremath{-}6D$ transitions to $\ensuremath{\alpha}$ of the $7P$ states were ignored. In this work, we demonstrate importance of these contributions and improve accuracies of $\ensuremath{\alpha}$ further by replacing the E1 matrix elements taken from the HFR method by the values obtained employing relativistic coupled-cluster theory. Our static $\ensuremath{\alpha}$ are found to be in excellent agreement with the other available theoretical results, whereas substituting the E1 matrix elements used by Dammalapati et al. gives very small $\ensuremath{\alpha}$ values for the $7P$ states. Owing to this, we find disagreement in ${\ensuremath{\lambda}}_{\mathrm{magic}}$ reported by Dammalapati et al. for linearly polarized light, especially at wavelengths close to the D lines and in the infrared region. As a consequence, a ${\ensuremath{\lambda}}_{\mathrm{magic}}$ reported at 797.75 nm which was seen supporting a blue detuned trap in their work is now estimated at 771.03 nm and is supporting a red detuned trap. Also, none of our results match with the earlier results for circularly polarized light. Moreover, our static values of $\ensuremath{\alpha}$ will be very useful for guiding experiments to carry out their measurements.

arXiv:1608.02073•Physical Review A•Aug 29, 2016•13 citations

Relativistic multireference coupled-cluster theory based on a B -spline basis: Application to atomic francium

Yong-Bo Tang, Bing-Qiong Lou, Ting-Yun Shi

In this paper, we report the relativistic Fock space multireference coupled-cluster method for atomic structure calculations. We use the no-pair Dirac-Coulomb-Breit Hamiltonian, together with a finite $B$-spline basis set to expand the large and small components of the Dirac wave function. Our method is applied to calculate ionization energies, reduced matrix elements, lifetimes, and polarizabilities for many states of atomic francium. To evaluate uncertainties of our results and investigate the role of electron correlation effects, we carry out calculations using approximated models at different levels. The quality of our calculations is assessed by comparing with available experimental results, showing a good agreement. In addition, the tune-out wavelengths of the ground state in the range of 340--800 nm, the magic wavelengths for the transition $7s\ensuremath{-}8s$ in the range of 800--1500 nm and the transition $7s\ensuremath{-}7p$ in the range of 600--1500 nm are determined by evaluating the dynamic polarizabilities of the $7s, 8s$, and $7p$ states for a linearly polarized light. These tune-out and magic wavelengths may be useful for laser cooling and trapping of the Fr atom, and for related high-precision trapping measurements.

Physical Review A•Aug 18, 2017•23 citations

Magic wavelengths for the np−ns transitions in alkali-metal atoms

Bindiya Arora, Marianna S. Safronova, Charles W. Clark

Extensive calculations of the electric-dipole matrix elements in alkali-metal atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of many-body perturbation theory terms. All allowed transitions between the lowest $ns$, $n{p}_{1∕2}$, $n{p}_{3∕2}$ states and a large number of excited states are considered in these calculations and their accuracy is evaluated. The resulting electric-dipole matrix elements are used for the high-precision calculation of frequency-dependent polarizabilities of the excited states of alkali-metal atoms. We find ``magic'' wavelengths in alkali-metal atoms for which the $ns$ and $n{p}_{1∕2}$ and $n{p}_{3∕2}$ atomic levels have the same ac Stark shifts, which facilitates state-insensitive optical cooling and trapping.

arXiv:0709.0130•Physical Review A•Nov 15, 2007•94 citations

Magic wavelengths for the State-insensitive Optical Trapping of Cs Atoms: case studies using the linearly and circularly polarized lights

Sukhjit Singh Sehra, Kiranpreet Kaur, B. K. Sahoo +1 more

We demonstrate magic wavelengths for the $6s ~ {^2}S_{1/2}-6p ~ {^2}P_{3/2,1/2}$ transitions in the Cs atom due to the circularly polarized light. In addition, we also obtain magic wavelengths using the linearly polarized light in order to verify the previously reported values and make a comparative study with the values obtained for the circularly polarized light. Most of these wavelengths are found to be in the optical region and could be of immense interest to the experimentalists for carrying out high precision measurements. To obtain these wavelengths, we have calculated dynamic dipole polarizabilities of the ground, $6p ~{^2}P_{1/2}$ and $6p ~{^2}P_{3/2}$ states. We use the available precise values of the electric dipole (E1) matrix elements for the most dominantly contributing transitions from the lifetime measurements of the above excited states and obtain other relevant important E1 matrix elements by employing a relativistic coupled-cluster method approximating at the singles and doubles level. Accuracies in these quantities are substantiated by comparing our evaluated scalar polarizability values with the corresponding experimental results.

•Jan 4, 2016•0 citations

Transition properties of a potassium atom

D. K. Nandy, Yashpal Singh, Balkrishna P. Shah +1 more

We report here oscillator strengths, transition rates, branching ratios, and lifetimes due to the allowed transitions in the potassium (K) atom. We evaluate electric dipole ($E1$) amplitudes using an all-order relativistic many-body perturbation method. The obtained results are compared with previously available experimental and theoretical studies. Using the $E1$ matrix elements mentioned above and estimated from the lifetimes of the $4p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{1/2,3/2}$ states, we determine precise values of static and dynamic polarizabilities for the first five low-lying states in the considered atom. The static polarizabilities of the ground and $4p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{1/2,3/2}$ states in the present work are more precise than the available measurements in these states. Only the present work employs relativistic theory to evaluate the polarizabilities in the $3d{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{D}_{3/2,5/2}$ states for which no experimental results are known with which to compare. We also reexamine ``magic wavelengths'' for the $4p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{1/2}\ensuremath{\rightarrow}4s{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{S}_{1/2}$ and $4p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{3/2}\ensuremath{\rightarrow}4s{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{S}_{1/2}$ transitions due to the linearly polarized light, which are useful to perform the state-insensitive trapping of K atoms.

arXiv:1209.5857•Physical Review A•Nov 27, 2012•23 citations

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

Yong-Hui Zhang, Li-Yan Tang, Xian Zhou Zhang +1 more

The dynamic dipole polarizabilities for the four lowest triplet states ($2{\phantom{\rule{0.16em}{0ex}}}^{3}S, 3{\phantom{\rule{0.16em}{0ex}}}^{3}S, 2{\phantom{\rule{0.16em}{0ex}}}^{3}P$, and $3{\phantom{\rule{0.16em}{0ex}}}^{3}P$) 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 400 nm--4.2 $\ensuremath{\mu}\mathrm{m}$ for the four lowest triplet states are identified, and the magic wavelengths in the range 460 nm--3.5 $\ensuremath{\mu}\mathrm{m}$ for the $2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}3{\phantom{\rule{0.16em}{0ex}}}^{3}S, 2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}2{\phantom{\rule{0.16em}{0ex}}}^{3}P$, and $2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}3{\phantom{\rule{0.16em}{0ex}}}^{3}P$ transitions are determined. We show that the tune-out wavelength of $2{\phantom{\rule{0.16em}{0ex}}}^{3}S$ state is $413.038\phantom{\rule{0.16em}{0ex}}28(3)$ nm, which corroborates the value of Mitroy and Tang [Phys. Rev. A 88, 052515 (2013)], and the magic wavelength around 1066 nm for the $2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}3{\phantom{\rule{0.16em}{0ex}}}^{3}P$ transition can be expected for precision measurement to determine the ratio of transition matrix elements $(2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}2{\phantom{\rule{0.16em}{0ex}}}^{3}P)/(3{\phantom{\rule{0.16em}{0ex}}}^{3}P\ensuremath{\rightarrow}6{\phantom{\rule{0.16em}{0ex}}}^{3}S)$.

arXiv:1503.07300•Physical Review A•Jul 24, 2015•28 citations
Using the relativistic coupled-cluster method, we calculate the static dipole polarizabilities of the 6p6p6p, 7s7s7s, 7p7p7p, 8s8s8s, 8p8p8p, and 6d6d6d states and the dynamic dipole polarizabilities of the 6p6p6p and 7s7s7s states of the thallium atom. The trivalent thallium atom is computationally treated as a monovalent system, together with all linear and nonlinear terms of single- and double-cluster operators included in the correlation calculations. We observe that the dominating contributions to the static scalar polarizabilities of the 7s1/27{s}_{1/2}7s1/2​, 7p1/27{p}_{1/2}7p1/2​, 8p1/28{p}_{1/2}8p1/2​, and 8p3/28{p}_{3/2}8p3/2​ states are from one or two specific transitions. The matrix elements of these specific transitions can be determined by combining the experimental values of relevant static scalar polarizabilities. A number of magic wavelengths for the 6p1/26{p}_{1/2}6p1/2​--7s7s7s and 6p3/26{p}_{3/2}6p3/2​--7s7s7s transitions in the range of 488--1300 nm and the longest tune-out wavelength of the ground state are determined. These magic wavelengths and tune-out wavelength may be useful for further thallium experiments. Experimental measurements of the magic wavelengths near 1245 nm would give estimates of the 7s1/27{s}_{1/2}7s1/2​--7p1/27{p}_{1/2}7p1/2​ and 7s1/27{s}_{1/2}7s1/2​--7p3/27{p}_{3/2}7p3/2​ transition matrix elements and their ratio. Furthermore, lifetimes of many excited states, as well as the Stark-induced scalar and vector dipole polarizabilities for the 6p1/26{p}_{1/2}6p1/2​--7p1/27{p}_{1/2}7p1/2​ transition, are also evaluated and compared with available theoretical and experimental values.
Magic wavelengths (${\ensuremath{\lambda}}_{\mathrm{magic}}$) for the $7{S}_{1/2}\ensuremath{-}7{P}_{1/2,3/2}$ transitions (D lines) in Fr were reported by Dammalapati et al. [U. Dammalapati, K. Harada, and Y. Sakemi, Phys. Rev. A 93, 043407 (2016)]. These ${\ensuremath{\lambda}}_{\mathrm{magic}}$ were determined by plotting dynamic polarizabilities ($\ensuremath{\alpha}$) of the involved states with the above transitions against a desired range of wavelengths. Electric dipole (E1) matrix elements listed in [J. E. Sansonetti, J. Phys. Chem. Ref. Data 36, 497 (2007)], from the measured lifetimes of the 7P1/2,3/27{P}_{1/2,3/2}7P1/2,3/2​ states and from the calculations considering core-polarization effects in the relativistic Hartree-Fock (HFR) method, were used to determine $\ensuremath{\alpha}$. However, contributions from core correlation effects and from the E1 matrix elements of the $7P\ensuremath{-}7S, 7P\ensuremath{-}8S$, and $7P\ensuremath{-}6D$ transitions to $\ensuremath{\alpha}$ of the 7P7P7P states were ignored. In this work, we demonstrate importance of these contributions and improve accuracies of $\ensuremath{\alpha}$ further by replacing the E1 matrix elements taken from the HFR method by the values obtained employing relativistic coupled-cluster theory. Our static $\ensuremath{\alpha}$ are found to be in excellent agreement with the other available theoretical results, whereas substituting the E1 matrix elements used by Dammalapati et al. gives very small $\ensuremath{\alpha}$ values for the 7P7P7P states. Owing to this, we find disagreement in ${\ensuremath{\lambda}}_{\mathrm{magic}}$ reported by Dammalapati et al. for linearly polarized light, especially at wavelengths close to the D lines and in the infrared region. As a consequence, a ${\ensuremath{\lambda}}_{\mathrm{magic}}$ reported at 797.75 nm which was seen supporting a blue detuned trap in their work is now estimated at 771.03 nm and is supporting a red detuned trap. Also, none of our results match with the earlier results for circularly polarized light. Moreover, our static values of $\ensuremath{\alpha}$ will be very useful for guiding experiments to carry out their measurements.
In this paper, we report the relativistic Fock space multireference coupled-cluster method for atomic structure calculations. We use the no-pair Dirac-Coulomb-Breit Hamiltonian, together with a finite BBB-spline basis set to expand the large and small components of the Dirac wave function. Our method is applied to calculate ionization energies, reduced matrix elements, lifetimes, and polarizabilities for many states of atomic francium. To evaluate uncertainties of our results and investigate the role of electron correlation effects, we carry out calculations using approximated models at different levels. The quality of our calculations is assessed by comparing with available experimental results, showing a good agreement. In addition, the tune-out wavelengths of the ground state in the range of 340--800 nm, the magic wavelengths for the transition $7s\ensuremath{-}8s$ in the range of 800--1500 nm and the transition $7s\ensuremath{-}7p$ in the range of 600--1500 nm are determined by evaluating the dynamic polarizabilities of the 7s,8s7s, 8s7s,8s, and 7p7p7p states for a linearly polarized light. These tune-out and magic wavelengths may be useful for laser cooling and trapping of the Fr atom, and for related high-precision trapping measurements.
Extensive calculations of the electric-dipole matrix elements in alkali-metal atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of many-body perturbation theory terms. All allowed transitions between the lowest nsnsns, np1∕2n{p}_{1∕2}np1∕2​, np3∕2n{p}_{3∕2}np3∕2​ states and a large number of excited states are considered in these calculations and their accuracy is evaluated. The resulting electric-dipole matrix elements are used for the high-precision calculation of frequency-dependent polarizabilities of the excited states of alkali-metal atoms. We find ``magic'' wavelengths in alkali-metal atoms for which the nsnsns and np1∕2n{p}_{1∕2}np1∕2​ and np3∕2n{p}_{3∕2}np3∕2​ atomic levels have the same ac Stark shifts, which facilitates state-insensitive optical cooling and trapping.
We demonstrate magic wavelengths for the 6s 2S1/2−6p 2P3/2,1/26s ~ {^2}S_{1/2}-6p ~ {^2}P_{3/2,1/2}6s 2S1/2​−6p 2P3/2,1/2​ transitions in the Cs atom due to the circularly polarized light. In addition, we also obtain magic wavelengths using the linearly polarized light in order to verify the previously reported values and make a comparative study with the values obtained for the circularly polarized light. Most of these wavelengths are found to be in the optical region and could be of immense interest to the experimentalists for carrying out high precision measurements. To obtain these wavelengths, we have calculated dynamic dipole polarizabilities of the ground, 6p 2P1/26p ~{^2}P_{1/2}6p 2P1/2​ and 6p 2P3/26p ~{^2}P_{3/2}6p 2P3/2​ states. We use the available precise values of the electric dipole (E1) matrix elements for the most dominantly contributing transitions from the lifetime measurements of the above excited states and obtain other relevant important E1 matrix elements by employing a relativistic coupled-cluster method approximating at the singles and doubles level. Accuracies in these quantities are substantiated by comparing our evaluated scalar polarizability values with the corresponding experimental results.
We report here oscillator strengths, transition rates, branching ratios, and lifetimes due to the allowed transitions in the potassium (K) atom. We evaluate electric dipole (E1E1E1) amplitudes using an all-order relativistic many-body perturbation method. The obtained results are compared with previously available experimental and theoretical studies. Using the E1E1E1 matrix elements mentioned above and estimated from the lifetimes of the 4p2P1/2,3/24p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{1/2,3/2}4p2P1/2,3/2​ states, we determine precise values of static and dynamic polarizabilities for the first five low-lying states in the considered atom. The static polarizabilities of the ground and 4p2P1/2,3/24p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{1/2,3/2}4p2P1/2,3/2​ states in the present work are more precise than the available measurements in these states. Only the present work employs relativistic theory to evaluate the polarizabilities in the 3d2D3/2,5/23d{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{D}_{3/2,5/2}3d2D3/2,5/2​ states for which no experimental results are known with which to compare. We also reexamine ``magic wavelengths'' for the $4p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{1/2}\ensuremath{\rightarrow}4s{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{S}_{1/2}$ and $4p{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{P}_{3/2}\ensuremath{\rightarrow}4s{\phantom{\rule{4pt}{0ex}}}^{2}\phantom{\rule{-0.16em}{0ex}}{S}_{1/2}$ transitions due to the linearly polarized light, which are useful to perform the state-insensitive trapping of K atoms.
The dynamic dipole polarizabilities for the four lowest triplet states (23S,33S,23P2{\phantom{\rule{0.16em}{0ex}}}^{3}S, 3{\phantom{\rule{0.16em}{0ex}}}^{3}S, 2{\phantom{\rule{0.16em}{0ex}}}^{3}P23S,33S,23P, and 33P3{\phantom{\rule{0.16em}{0ex}}}^{3}P33P) of helium are calculated using the BBB-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 400 nm--4.2 $\ensuremath{\mu}\mathrm{m}$ for the four lowest triplet states are identified, and the magic wavelengths in the range 460 nm--3.5 $\ensuremath{\mu}\mathrm{m}$ for the $2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}3{\phantom{\rule{0.16em}{0ex}}}^{3}S, 2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}2{\phantom{\rule{0.16em}{0ex}}}^{3}P$, and $2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}3{\phantom{\rule{0.16em}{0ex}}}^{3}P$ transitions are determined. We show that the tune-out wavelength of 23S2{\phantom{\rule{0.16em}{0ex}}}^{3}S23S state is 413.03828(3)413.038\phantom{\rule{0.16em}{0ex}}28(3)413.03828(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 $2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}3{\phantom{\rule{0.16em}{0ex}}}^{3}P$ transition can be expected for precision measurement to determine the ratio of transition matrix elements $(2{\phantom{\rule{0.16em}{0ex}}}^{3}S\ensuremath{\rightarrow}2{\phantom{\rule{0.16em}{0ex}}}^{3}P)/(3{\phantom{\rule{0.16em}{0ex}}}^{3}P\ensuremath{\rightarrow}6{\phantom{\rule{0.16em}{0ex}}}^{3}S)$.