We developed a code for ab-initio variational configuration interaction calculation of electronic structure of atoms via generalised Laguerre type orbitals. By computing absolute minimum of energy with orbital effective charges as variational parameters optimal wave functions are obtained. Algorithm and program structure are presented in details. A convergence study of our CI method with NMCSCF is given for He 1s²¹S state. It shows that convergence of our CI method is faster than that of NMCSCF method. As an example, absolute minimum of energy and optimal wave functions of Ti in ⁵G states are calculated.

With Schaefer and Harris method, i.e., constructing LS eigenfunctions by diagonlization of L²+λS², a FORTRAN code with two modes is developed to calculate the most concise LS eigenfunctions under certain symmetry and all LS coupling atomic states (both non-equivalent and equivalent electronic configurations) with given orbital occupancy. As an example, LS coupling atomic states and the simplest LS eigenfunctions for ⁶I symmetry of Np (Z=93) 5f⁴6d electronic occupancy are calculated.