Pressure-broadened atomic Li(2s-2p) line perturbed by ground neon atoms in the spectral wings and core

Full quantum calculations are performed to investigate the broadening profiles of the atomic lithium Li(2s-2p) resonance line induced by interactions with ground Ne(2s²2p⁶) perturbers in the spectral wings and core. The X²Σ⁺, A²Π, and B²Σ⁺ potential-energy curves of the two first low lying LiNe molecular states, as well as the corresponding transition dipole moments, are determined with ab initio methods based on the SA-CASSCF-MRCI calculations. The emission and absorption coefficients in the wavelength range 550–800 nm and the line-core width and shift are investigated theoretically for temperatures ranging from 130 K to 3000 K. Their temperature dependence is analyzed, and the obtained results are compared with the previous experimental measurements and theoretical works.