Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most

Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density

This invaluable book consists of 16 chapters written by some of the most notable researchers in the field of quantum Monte Carlo, highlighting the advances made

In the last few years, much attention has been given by theoretical chemists to the development of more accurate model functionals and faster computational tech