Accelerated Quantum Chemical Molecular Dynamics for Excited States (Colors-Excite)

A higher version of an accelerated quantum chemical molecular dynamics program, Colors, with the extension for the excited states dynamics. Electron in an arbitrary molecular orbital can be specified for the excitation. The difference of chemical reaction dynamics at excited and ground states can be studied. By using this program, topics such as photocatalytic reaction dynamics over TiO2 surface can be explored. (Colors-Excite)