Ground and excited states of Li−, Be− through a density-based approach

Density functional calculations are performed for ground Li− and Be− species. The work-function-based exchange potential is used, while the correlation effects are included by employing the Lee-Yang-Parr potential. The relevant nonrelativistic Kohn-Sham equation is solved by means of a generalized pseudospectral discretization scheme offering nonuniform and optimal spatial grid.