title: Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs).
abstract: High level ab initio calculations are performed on the ground electronic state of diatomic molecules MgAlk (Alk = Li, Na, K, Rb, Cs). Potential energy curves and dipole moment functions are determined making use of the single-reference unrestricted and restricted coupled-cluster methods with large basis sets. Basic spectroscopic properties of the ground electronic states are derived from ro-vibrational bound state calculations.
authors.affiliation: Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University in Prague, Ke Karlovu 3, CZ-12116 Prague 2, Czech Republic.
authors.forename: L
authors.initials: L
authors.lastname: Augustovičová
authors.forename: P
authors.initials: P
authors.lastname: Soldán