Publications by authors named "J Szczepkowski"

The double minimum E(3)Σ state in Cs.

Spectrochim Acta A Mol Biomol Spectrosc

November 2024

The double minimum EΣ state in caesium dimer was investigated by analysing spectra of the EΣ← XΣ band system, simplified by polarisation labelling. A total of 6727 rotationally resolved transitions to levels situated in the inner well and above the internal barrier were identified and a potential energy curve allowing to reproduce their energies was constructed using the Fourier grid Hamiltonian and inverted perturbation approach methods. The unambiguity of the potential curve in view of lack of data related to levels located in the outer well is discussed.

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Despite its apparently simple nature with four valence electrons, the strontium dimer constitutes a challenge for modern electronic structure theory. Here we focus on excited electronic states of Sr, which we investigate theoretically up to 25000 cm above the ground state, to guide and explain new spectroscopic measurements. In particular, we focus on potential energy curves for the 1Σ, 2Σ, 1Π, 2Π, and 1Δ states computed using several variants of ab initio coupled-cluster and configuration-interaction methods to benchmark them.

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We report a systematic study of the C(2)Πelectronic state in rubidium dimer, observed in polarization labelling spectroscopy experiment through the C ← XΣ transitions recorded under rotational resolution in two isotopologues Rb and RbRb. Regularity of the vibrational progressions was distorted by numerous interactions with the surrounding 2Σ, 2Πand 3Σstates. Deperturbation was performed by coupled-channels analysis taking into account spin-orbit and rotational interactions.

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Polarisation labelling spectroscopy technique was employed to study the 3Π state of Cs molecule. The main equlibrium constants are T=20684.56cm,ω=30.

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The C(3)Σ state of KCs molecule was studied experimentally employing the polarisation labelling spectroscopy (PLS) technique. The experiment extended the prior knowledge of the state adding more than 40 vibrational levels to the previously existing data. A pointwise potential energy curve was constructed for the investigated state with the inverted perturbation approach (IPA) method, basing on experimentally determined energies of over 1300 rovibrational levels.

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