Observation and modeling of bound-free transitions to the XΣ and aΣ states of KCs.

The oscillation continuum in laser-induced fluorescence spectra of bound-free cΣ → aΣ and (4)Σ → XΣ transitions of the KCs molecule was recorded by a Fourier-transform spectrometer and modeled under the adiabatic approximation. The required interatomic potentials for ground aΣ and XΣ states were reconstructed in an analytical Chebyshev-polynomial-expansion form in the framework of the regularization direct-potential-fit procedure based on the simultaneous consideration of experimental line positions from Ferber et al. [Phys.

Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit.

The asymptotic, R → ∞, behavior of the potential-energy and dipole-moment functions (PEFs and DMFs) for all six (1,2)Σ+, (1,2)Π, Σ-, and Δ electronic states converging to the ground C(3P) + O(3P) dissociation limit of the CO molecule are studied in the framework of long-range (LR) perturbation theory. The analytical expressions for the leading coefficients of the LR expansion, C5/R5 for PEF and d4/R4 for DMF, in terms of the atomic quadrupole constants and static dipole polarizabilities are derived. The exact relationships between the LR coefficients for the states of different spatial symmetry are established as well.

Ab initio interatomic potentials and transport properties of alkali metal (M = Rb and Cs)-rare gas (Rg = He, Ne, Ar, Kr, and Xe) media.

We performed a first principle systematic calculation on the adiabatic potential energy curves (PECs) of alkali metal (M = Rb and Cs) - rare gas (Rg = He, Ne, Ar, Kr, and Xe) van der Waals molecules over a wide range of interatomic distance R. All electron basis sets of triple and quadruple zeta valence quality were used for the He, Ne, Ar and Kr atoms. Scalar relativistic effects were taken into account for the heavy Rb, Cs and Xe atoms by means of Dirac-Fock effective core potentials.

Peculiarities of high-overtone transition probabilities in carbon monoxide revealed by high-precision calculation.

In the recent work devoted to the calculation of the rovibrational line list of the CO molecule [G. Li et al., Astrophys.

Direct-potential-fit analyses yield improved empirical potentials for the ground X (1)Σ(+)(g) state of Be2.

We have performed new direct-potential-fit (DPF) analyses of the rotationally resolved A (1)Π(u)(ν'=2,3;J' =1,2)→X(1)Σ(+)(g) (ν" ∈[0,11];J" ∈[0,3]) stimulated emission pumping spectra of Be2 [J. M. Merritt, V.