Single collision quantum studies

The Raman spectra of solids have a more or less prominent collision-induced component. Rare-gas solids held together by van der Waals interactions have well-studied CILS spectra [656, 657]. The face-centered, cubic lattice can be grown as single crystals. Werthamer and associates [661-663] have computed the light scattering properties of rare-gas crystals on the basis of the DID model. Helium as a quantum solid has received special attention [654-658] but other rare-gas solids have also been investigated [640]. Molecular dynamics computations have been reported for rare-gas solids [625, 630, 634]. 

In the next section we will discuss the approach we have developed for obtaining the molecular Hartree-Fock continuum orbitals. We will discuss how our approach is based on the Schwinger variational method and how in its present form it can be viewed as a hybrid method that uses both the basis-set expansion techniques of quantum chemistry and the numerical single-center expansion techniques of atomic collision physics. We will then discuss the results of applications of this approach to study shape resonances in the photolonlzatlon of several molecules, e.g., N2, CO, CO2, C2H2, and C2N2. These results will also be compared with available experimental data and with the results of studies of these same systems by different methods and models. 

---