Towards an orbital-free kinetic energy density functional for molecular systems

New kinetic energy density functionals (KEDFs) for orbital-free density functional theory (OFDFT) involving many-atoms systems are proposed. These KEDFs utilize the densities and information from properties of the constituent atoms. The performance of these KEDFs are presented for densities calculated from Hartree Fock theory, Kohn-Sham density functional theory and for those obtained by minimizing energy functionals involving these new KEDFs.