communications. However, the main motivation, at this stage, was to establish the valid- ity and feasibility of this approach in the context of full electronic structure calculation of many-electron systems. Many-electron systems have been studied by LCAO-MO-DFT in CCG. Both atoms and molecules (small as well as medium) were considered. Results have been presented for pseu- dopotential and all-electron calculations. For the former we employed FT97 and PBE XC functionals, as a follow-up of our previous work in this direction which further consolidates the success of this approach. For the latter, exploratory preliminary results were given using some rudimentary basis set within the homogeneous-electron gas approximation; this fur- ther extends the scope and applicability of the current scheme. The basis set, MOs, electron density and various potentials were generated in a CCG encapsulating a cubic box. Hartree potential was conveniently computed via a Fourier convolution method. Two-body matrix elements were obtained by direct numerical integration. Detailed comparison has been made with literature results, wherever possible, for a variety of quantities such as total energy, component energy, orbital energy, ionization energy, etc. Agreement has been extremely good; present results are almost indistinguishable from reference ACG-based DFT values (out of 6 atoms, largest absolute deviation in total energy from literature values is 0.00003 a.u. only). However, it would be necessary to incorporate better and more practical ba- sis sets as well as XC functionals for more meaningful physical, chemical applications. In essence, this present study confirms the fact that electronic structure calculation of many- electron systems can be performed within LCAO-MO-based DFT, using Gaussian basis sets, very accurately and efficiently through CCG, offering virtually same accuracy as ACG. Prof. S. I. Chu at the University of Kansas, Lawrence, KS, USA, is thanked for compu- tational resource facilities. I greatly appreciate the support provided by IISER, Kolkata’s V. ACKNOWLEDGMENT IV. CONCLUDING REMARKS 12