Full-quantum calculations of the pressure broadening D1 and D2 lines of Mg+ magnesium ion in a gas of ground-state He helium atoms

In this theoretical investigation, we have performed comprehensive quantum calculations to explore the pressure broadening effects on the D-1 (3 s (2)S(1/)2 - 3p P-2(1/2)) and D-2 (3s S-2(1/2) - 3p P-2(3/2)) lines of the Mg+ magnesium ion when surrounded by ground-state He helium atoms. Our objective is to delineate the profiles of these pressure-broadened resonance lines and scrutinize their behavior in response to binary collisions between Mg+ ions and He atoms. To accomplish this goal, we developed precise potential energy curves for the ground X (2)Sigma(+)(1/2) and the excited A(2)Pi(1/2), A(2)Pi(3/2) and B (2)Sigma(+)(1/2), along with the associated transition dipole moments, using data derived from advanced ab initio methodologies such as SA-CASSCF, MRCI, and SO coupling, with Davidson and BSSE corrections. Our investigation encompasses a temperature range from 4000 to 12000 K and wavelengths spanning from 200 to 450 nm. The theoretical profiles primarily exhibit dominant free-free transitions. Notably, around the 235 nm wavelength region, a satellite peak appears in the blue wing, attributed to the B (2)Sigma(+)(1/2) <- X (2)Sigma(+)(1/2) transitions. We have confirmed agreement between our theoretical findings and prior research.