Most Significant Publications - Our most significant contributions to science are:
- Reactive scattering using Adiabatically adjusting Principal axis Hyperspherical (APH) coordinates,
- Inelastic scattering and in particular the Infinite Order Sudden (IOS), Energy Sudden (ES) and Centrifugal Sudden (CS or J_z) approximations
- Numerical methods including the Discrete Variable Representation (DVR)
Additional information is provided in our list of significant publications or our complete list of publications.The bibliometrics for these publications can be found at the Thompson and Reuters ResearcherID website.
Reactive Scattering processes form the heart of chemistry and the quantum theory thereof is one of the most important problems in theoretical chemistry or theoretical atomic and molecular physics. We developed the theory and computer code for reactive scattering using Adiabatically-adjusting Principal-axis Hyperspherical (APH) coordinates. We produce essentially exact bench mark results on a variety of chemically interesting reactions. We have contributed significantly to current understanding of reactive scattering. We have seen that quantum resonances are very common and may dominate most chemical reactions.
Inelastic Scattering (or non-reactive scattering) such as differential cross sections and bulk properties are can be relatively easy to calculate and are important quantities in our understanding of natural phenonoma.
Potentials Energy Surfaces govern the dynamics of the collisions and are necessary for an accurate quantum treatment of collisions, coherent-control, spectra and all physical properties.
Numerical Methods for effeciently solving the quantum Schrodinger equation are essential for a quantum treatment of real systems.
Group - We have a great research group with some excellent postdoctoral fellows and students.