Ab initio molecular calculations with pseudopotentials: Higher quality calculations on Li2, LiH,and BeH2

New psudopotentials of higher quality have been used in ab initio molecular calculations. Simple molecular systems like Li₂, LiH, and BeH₂ have been investigated with varying basis sets. Energy, geometrical parameters, and dipole moments have been determined. The convergence properties of the various quantities have been investigated. They show characteristic behavior, e.g., stationary value for the energy where such behavior may be expected.