Density functional theory for exploration of chemical reactivity: Successes and limitations.

The article discusses the use of density functional theory (DFT) in computational chemistry and physics. DFT is a quantum mechanical theory that is widely used to calculate the properties of molecules and materials. It has been applied to various areas of research, including superconductivity, laser impulses, and magnetic characteristics. The article also mentions the limitations of DFT and the development of conceptual DFT. The special issue of the journal focuses on the parameters of conceptual DFT, particularly in relation to chemical reactivity. It includes 18 manuscripts that explore various aspects of CDFT. The goal of the special issue is to facilitate the exchange of ideas and provide a platform for experts to discuss solutions to persistent problems. [Extracted from the article]