MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules

Abstract

This review focuses on the calculation of rovibrational energies of polyatomic molecules using the code MULTIMODE. This code, which uses normal coordinates and a hierarchical n-mode representation of the potential, aims to be applicable to a wide class of molecules and molecular complexes. The theoretical and computational methods used in this code are described, followed by a review of selected applications. These applications illustrate various features of the code and also point out some limitations of the current version of the code. The review concludes with some ideas about possible future directions in this area of research.