By 1978 Parr had realized that density functional theory (DFT) would be extremely useful in quantitative calculations of chemical and biological systems, especially those with high molecular weights. In 1988 Parr, Weitao Yang and Chengteh Lee produced an improved DFT method which could approximate the correlation energy of systems. The LYP (for Lee–Yang–Parr) functional theory is now one of the most cited papers in the chemical literature.
By 1978 Parr had ,realized tha?t d!ensity functional theory (DFT) would be extremely useful in quantitative calculations of chemical and biological systems, especially those with high molecular weights. In 1988 Parr, Weitao Yang and Chengteh Lee produced an improved DFT method which could approximate the correlation ene?rgy of systems. The LYP (for Lee–Yang–Parr) functional theory is now one of the most cited papers in the chemical literature.