Density functional theory

Density functional theory (DFT) is a tool that is used to understand the behavior of molecules. It helps scientists predict how molecules will interact with each other and how they will react to different substances, like water or air. DFT works by looking at the density of molecules. This means that it takes into account all of the different areas the molecules occupy in a space. This can tell us a lot about how the molecules will interact with each other. For example, when two water molecules come close together, DFT can give us an idea of how strong their interaction will be. DFT is a very powerful tool for scientists because it helps them make better predictions about how molecules will react.