The static and dynamic electric dipole, quadrupole, and octupole polarizabilities of the alkaline-earth atoms (beryllium, magnesium, calcium, strontium, and barium) in the ground state were calculated. The dynamic polarizabilities obtained were used to calculate the van der Waals coefficients C 6, C 8, and C 10 of alkaline-earth metal dimers for the interaction of two like atoms in the ground state. The results are compared with other theoretical and experimental data.
Relativistic many-body calculations of van der Waals coefficients
C6 for dimers correlating to two ground-state alkaline-earth-metal atoms at large internuclear separations are reported. The following values and uncertainties were determined:
C6=214(3) for Be, 627(12) for Mg, 2221(15) for Ca, 3170(196) for Sr, and 5160(74) for Ba in atomic units.
Apropos of the growing interest in the study of long-range interactions for their applications in cold-atom physics, we perform theoretical calculations for the two-dipole
C6 and three-dipole
C9 dispersion coefficients involving alkaline-earth-metal atoms with alkaline-earth-metal atoms and alkaline-earth-metal ions. The
C6 and
C9 coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated
C6 coefficients for the considered alkaline-earth-metal atoms are compared with previously reported values. Due to unavailability of any other earlier theoretical or experimental results, for the
C6 coefficients for alkaline-earth-metal atoms with alkaline-earth-metal ions and the
C9 coefficients we perform separate fitting calculations and compare the results. Our calculations match in an excellent manner with the fitting calculations. We also report the oscillator strengths for the leading transitions and static dipole polarizabilities for the ground states of the alkaline-earth-metal ions, i.e.,
Be+,Mg+,Ca+,Sr+, and
Ba+, as well as the alkaline-earth-metal atoms, i.e., Be, Mg, Ca, Sr, and Ba. These show good agreement when compared with the available experimental results.
The long-range part of the interatomic interactions plays a substantial role in the collisional dynamics of ultracold gases. Here, we report on the calculation of the isotropic and anisotropic
C6 coefficients characterizing the van der Waals interaction between dysprosium or erbium atoms in the two lowest energy levels and the ground-state alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba) atoms. The calculations are done using the integral of dynamic dipole polarizabilities at so-called imaginary frequencies of the two interacting atoms. For all atom pairs, we find that the isotropic
C6 coefficients are two or three orders of magnitude larger than the anisotropic ones. Those coefficients are essential for modeling collisional properties of heteronuclear quantum mixtures containing highly magnetic dysprosium or erbium atoms and alkali-metal or alkaline-earth-metal atoms.
Apropos to the growing interest in the study of long-range interactions which for their applications in cold atom physics, we have performed theoretical calculation for the two-dipole
C6 and three-dipole
C9 dispersion coefficients involving alkaline-earth atoms with alkaline-earth atoms and alkaline-earth ions. The
C6 and
C9 coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated
C6 coefficients for the considered alkaline-earth atoms among themselves are compared with the previously reported values. Due to unavailability of any other earlier theoretical or experimental results, for the
C6 coefficients for alkaline-earth atoms with alkaline-earth ions and the
C9 coefficients, we have performed separate fitting calculations and compared. Our calculations match in an excellent manner with the fitting calculations. We have also reported the oscillator strengths for the leading transitions and static dipole polarizabilities for the ground states of the alkaline-earth ions, i.e., Mg
+, Ca
+, Sr
+, and Ba
+ as well as the alkaline-earth atoms, i.e., Mg, Ca, Sr, and Ba. These, when compared with the available experimental results, show good agreement.
The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static electric-dipole polarizabilities and coefficients for the interaction of the atoms with a perfectly conducting wall. The results are in excellent agreement with the latest data from studies of magnetic field induced Feshbach resonances in ultracold collisions of Na and of Rb atoms. For Cs we provide critically needed data for ultracold collision studies.
The van der Waals coefficients,
C6,C8, and
C10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient,
D8 and the three-body coefficient,
C9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution.