Erratum: Simple modification of the Lee–Yang–Parr correlation functional to satisfy exact nonuniform scaling requirements

Simple modification of the LeeYangParr c

Simple modification of the LeeYangParr correlation functional to satisfy exact nonuniform scaling requirements

✍ Stanislav Ivanov 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 331 KB

In density functional theory (DFT) the exchange-correlation energy has to be approximated. One of the most widely used approximations to the correlation component, the Lee-Yang-Parr (LYP) functional does not obey nonuniform scaling requirements. We propose a modifying function that makes this functi