The Journal of Chemical Physics

Dipole polarizabilities of the potassium atom in its ground (4 2S) and excited (4 2P, 5 2S) states, and long-range dispersion interactions between two K atoms

Mohammadou Mérawa, Didier Bégué

Published Apr 1, 1998• 5 citations

Abstract

The dipole polarizabilities of the potassium atom in its ground (4 2S) and low-lying excited (4 2P, 5 2S) states have been calculated using the time-dependent gauge-invariant variational method [Mérawa, Rérat, and Pouchan, J. Chim. Phys. 91, 1387 (1994)]. The variation of these polarizabilities versus imaginary frequencies [Casimir and Polder, Phys. Rev. 73, 360 (1948)] have been computed, and the long-range dispersion coefficients for the molecular states of K2 dissociating to K(4S)+K(4S), K(4S)+K(4P), K(4P)+K(4P), K(4S)+K(5S), K(5S)+K(4P) and K(5S)+K(5S) have been evaluated. The results obtained for K(4S)+K(4P) interactions are in very good agreement with the recent experimental high-resolution photoassociative data of Wang et al. [J. Chem. Phys. 106, 7899 (1997)]. The long-range dispersion coefficients for the K(4P)+K(4P), K(4P)+K(5S) and K(5S)+K(5S) interactions are new.

DOI: 10.1063/1.475964

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The Journal of Chemical Physics

Dipole polarizabilities of the potassium atom in its ground (4 2S) and excited (4 2P, 5 2S) states, and long-range dispersion interactions between two K atoms

Mohammadou Mérawa, Didier Bégué

Published Apr 1, 1998• 5 citations

Publisher

Abstract

DOI: 10.1063/1.475964

Related papers

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We report results of theoretical calculations for the dispersion coefficients associated with the long-range interaction of two

{}^{39}

K atoms in the states

{}^{39}

(4s)

{}^{39}

(5d,6d,7s)

. These results have been found by Wang et al. [Phys. Rev. Lett. 78, 4173 (1997)] to be in a good agreement with their measurements.

The scalar and tensor dynamic polarizabilities of the first excited

^{2}P_{1∕2,3∕2}

states of the alkali-metal atoms

\mathrm{Na}

\mathrm{K}

, and

\mathrm{Rb}

are calculated using relativistic many-body perturbation theory. Comparison with experimental measurements of the static polarizabilities suggests that the errors in the theoretical predictions do not exceed 1%. The dynamic polarizabilities at imaginary frequencies are employed to calculate the long-range van der Waals coefficients for the interaction of ground-state helium atoms with the excited alkali-metal atoms to a probable error of less than 2%.

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

C_6

and three-dipole

C_9

dispersion coefficients involving alkaline-earth atoms with alkaline-earth atoms and alkaline-earth ions. The

C_6

and

C_9

coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated

C_6

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

C_6

coefficients for alkaline-earth atoms with alkaline-earth ions and the

C_9

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.

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

{C}_{6}

and three-dipole

{C}_{9}

dispersion coefficients involving alkaline-earth-metal atoms with alkaline-earth-metal atoms and alkaline-earth-metal ions. The

{C}_{6}

and

{C}_{9}

coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated

{C}_{6}

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

{C}_{6}

coefficients for alkaline-earth-metal atoms with alkaline-earth-metal ions and the

{C}_{9}

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.,

{\mathrm{Be}}^{+}, {\mathrm{Mg}}^{+}, {\mathrm{Ca}}^{+}, {\mathrm{Sr}}^{+}

, and

{\mathrm{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.