molecular physics

This dissertation presents a survey of ab initio models developed based on the merger of multireference (MR) methods and density functional theory (DFT) in order to provide an accurate and efficient description of electron correlation effects in strongly correlated systems. We f…

High-temperature composite materials have broad applications in the energy and transportation sectors because of their unique capabilities to sustain strength at elevated temperatures, inert interaction with some coolants, and their high strength-to-weight ratio. These encompass…

The production of the &phis; meson in relativistic heavy-ion collisions is considered to be an important and powerful tool in the search for the predicted phase transition in hot and dense matter into a new state of matter referred to as a Quark-Gluon Plasma (QGP) that is charac…

Second-rank tensor interactions, such as quadrupolar interactions between the spin-1 deuterium nuclei and the electric field gradients created by chemical bonds, are affected by rapid random molecular motions that modulate the orientation of the molecule with respect to the exte…