We study various processes which involve electrons being scattered by or ejected from molecules. These processes include ectron-molecule collision, electron impact ionization, and photoionization. Recently we have worked closely with experimental groups around the world to study molecular frame photoelectron angular distributions. In these studies we can make detailed comparisons of experimental data and theoretical predictions of the probability of the emission of the photoelectron in specific directions relative to the orientation of the molecule. We have also considered electron scattering from cage molecules such as C60 and C20. In these systems we have found a new class of scattering resonances where the electron is trapped inside the cage. These processes are important in such physical systems as upper atmospheres, plasma processing of semiconductors, and surface analysis.
A second area of interest is the structure and dynamics of hydrogen bonded clusters. This work is done in collaboration with Professor J. W. Bevan's research group where the corresponding systems are studied experimentally. We develop potential energy surfaces using both experimental data and by performing quantum mechanical electronic structure calculations. These potentials are then used in quantum mechanical calculations of the vibrational motion of the complexes with particular attention being focused on the large amplitude motion found in hydrogen bonded systems. Currently we are studying the complexes CO--HI and (HBr)2. The results of this work will give a better understanding of important hydrogen bonded systems including liquid water and many systems of biological interest.
F. A. Gianturco, G. Yu. Kashenock, R. R. Lucchese, and N. Sanna. "Low-energy resonant structures in electron scattering from C20 fullerene." J. Chem. Phys. 116, 2811 (2002).
Robert R. Lucchese, A. Lafosse, J. C. Brenot, P. M. Guyon, J. C. Houver, M. Lebech, G. Raseev and D. Dowek. "Polar and azimuthal dependence of the molecular frame photoelectron angular distributions of spatially oriented linear molecules." Phys. Rev. A 65, 020702 (2002).
Ping Lin, W. Jabs, R. R. Lucchese, and J. W. Bevan, D. J. Brugh, and R. D. Suenram. "A Morphed Ground State Potential for Ne:HI Based on Microwave Spectroscopy." Chem. Phys. Lett. 356, 101 (2002).
O. Gessner, Y. Hikosaka, B. Zimmermann, A. Hempelmann, R. R. Lucchese, J. H. D. Eland, P.-M. Guyon, and U. Becker. "The 4Σ-1 inner valence photoionization dynamics of NO derived from photoelectron-photoion angular correlations," Phys. Rev. Lett. 88, 193002 (2002).
Ping Lin and Robert R. Lucchese. "Total cross sections and molecular frame photoelectron angular distributions in the N 1s photoionization of N2: An investigation of electron correlation effects." J. Chem. Phys. 117, 4348 (2002).