Photoassociation spectroscopy of the A1Σ – b3Π complex in ultracold polar NaCs molecules

Haruza, Marek; Zabawa, Patrick; Wakim, Amy; Bigelow, N. P.

doi:10.1364/ls.2012.ltu4i.2

Cited by 1 publication

(2 citation statements)

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“…Several theoretical ,− and experimental − studies have been achieved for the CsNa molecule. The first theoretical study of CsNa molecule is made by Igel-Mann et al on the basis of pseudopotential and CI calculations.…”

Section: Introductionmentioning

confidence: 99%

“…In 2012 the same team presented the rovibrational cooling of translationally ultracold NaCs molecules using the broadband light for the vibrational cooling requires and narrow-line lasers for the rotational cooling. Haruza et al presented the photoassociation channels associated with the A 1 Σ and b 3 Π electronic states of NaCs. They calculated dispersion coefficients and determined new b 3 Π Ω=2 potential energy curve.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Study of the CsNa Molecule: Adiabatic and Diabatic Potential Energy and Dipole Moment

Mabrouk

Berriche

2014

J. Phys. Chem. A

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The adiabatic and diabatic potential energy curves of the low-lying electronic states of the NaCs molecule dissociating into Na (3s, 3p) + Cs (6s, 6p, 5d, 7s, 7p, 6d, 8s, 4f) have been investigated. The molecular calculations are performed using an ab initio approach based on nonempirical pseudopotential, parametrized l-dependent polarization potentials and full configuration interaction calculations through the CIPCI quantum chemistry package. The derived spectroscopic constants (Re, De, Te, ωe, ωexe, and Be) of the ground state and lower excited states are compared with the available theoretical and experimental works. Moreover, accurate permanent and transition dipole moment have been determined as a function of the internuclear distance. The adiabatic permanent dipole moment for the first nine (1)Σ(+) electronic states have shown both ionic characters associated with electron transfer related to Cs(+)Na(-) and Cs(-)Na(+) arrangements. By a simple rotation, the diabatic permanent dipole moment is determined and has revealed a linear behavior, particularly at intermediate and large distances. Many peaks around the avoided crossing locations have been observed for the transition dipole moment between neighbor electronic states.

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