Potential energy surfaces for fluorine--hydrogen systems

Ab initio molecular electronic structure theory has now progressed to the point where it is capable of making genuine contributions to the understanding of simple chemical reactions. Especially noteworthy examples are the elementary fluorine hydrogen reactions pertinent to the HF chemical laser. The reactions F + H2 → FH + H, H + FH → HF + H, H + F2 → HF + H, and F + HF → FH + F are discussed, with particular emphasis on the relationships between ab initio theory and experiment. Directions for future research are suggested