The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to ....The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to study in the laboratory, and consequently computer simulation is an essential component of the study of such reactions. U nderstanding how these reactions occur, and how fast they proceed, are important to our understanding of the dynamics of the atmosphere and other large scale reactors.Read moreRead less
Quantum Mechanics and Planetary Atmospheres. The project will increase the visibility and status of Australian research, by the participation of researchers and students in a wide international collaboration, covering experiments, theory, and computation, which will solve a fundamental research problem that has previously defied understanding. The resulting nitrogen model will be relevant to the important fields of global and planetary atmospheric change, and will find immediate application in t ....Quantum Mechanics and Planetary Atmospheres. The project will increase the visibility and status of Australian research, by the participation of researchers and students in a wide international collaboration, covering experiments, theory, and computation, which will solve a fundamental research problem that has previously defied understanding. The resulting nitrogen model will be relevant to the important fields of global and planetary atmospheric change, and will find immediate application in the analysis of results from the NASA missions, Voyager, Cassini, and (later) New Horizons. In the experimental part of the project, an Australian-first extreme-ultraviolet laser facility will be developed which will provide research opportunities complementary to the Australian Synchrotron.Read moreRead less