  This is a follow-up of our recently proposed work on pseudopotential
calculation (Ref. [21]) of atoms and molecules within DFT framework, using
cartesian coordinate grid. Detailed results are presented to demonstrate the
usefulness, applicability of the same for a larger set of species (5 atoms; 53
molecules) and exchange-correlation functionals (local, nonlocal). A thorough
comparison on total, component, ionization, atomization energies, eigenvalues,
potential energy curves with available literature data shows excellent
agreement. Additionally, HOMO energies for a series of molecules show
significant improvements by using the Leeuwen-Baerends exchange potential,
compared to other functionals considered. Comparison with experiments has been
made, wherever possible.
