Molecular Energies and Non-Bonded Interactions

Profs Gill and Collins have recently made significant progress toward the removal of the two major obstacles that have traditionally prevented the routine application of quantum chemical methods to the study of large molecules. Gill has introduced a new approach to calculating the energy stabilization when electrons avoid one another and Collins has introduced an accurate hierachical decomposition of large systems into smaller ones. In this proposal, we outline a synthesis of these two techniques that will allow accurate theoretical modelling of larger molecules than have previously been accessible.