ONGOING RESEARCH WORK (1996-2006)
·
Electronic rearrangement and light emission in
collisions of atomic ions with atoms, using time-dependent molecular orbitals and time-dependent Hartree-Fock
theory.(K. Runge, H. DaCosta and D. A. M.; B. Thorndyke;
A. Reyes; A. Pacheco)
·
Electron transfer in the
scattering of alkali ions by metal surfaces of W, Ni and Cu. Calculation of
cross sections for neutralization and for orbital polarization. ( C. DeMelo, B. Kirtman, and D. A. M.; A. Pacheco; A. Leathers)
·
Energy transfer in the
scattering of atoms by surfaces and diatomic adsorbates,
leading to vibrational excitation of adsorbates. Applications to scattering of Li and He
beams from W surfaces and from CO adsorbed on Ni and Cu .(S. Miret-Artes, J. L. Vega, J. P. Toennies,
and D. A. M.; Z. Parra and D.A.M.)
·
Photodesorption by visible and UV radiation of diatomic molecules adsorbed on
surfaces, such as CO on Ni and Cu metals. Calculation of line shapes in
steady-state experiments, and of lifetimes in pulsed light experiments.(D. Beksic; S. Miret-Artes; J. Sund; Z. Yi; A. Salam; A.
Santana-Vargas; and D. A. M.; S. Villaume; N. Finck)
·
Molecular rearrangement involving electronic
transition in collisions of hydrogen, alkali and alkali-earth atoms with atoms
and diatomics, in terms of self-consistent eikonal methods, and algebraic methods.( G. Delgado-Barrio,
M. Fernandez, and D. A. M.)
·
Molecular photodissociation
by visible and UV radiation, particularly of C-I bonds in polyatomic molecules.
Calculation of line shapes.(C. Stodden
and D. A. M.)
·
Energy transfer in collisions
of hyperthermal hydrogen, helium and alkali atoms
with molecules and surfaces, using a general collisional
time-correlation function approach including dissipation. Calculation of
cross sections measured in time-of-flight experiments, and of final
distributions of product states in gases.(H. Kim; D.
Rojas; S. Miret-Artes, J. L. Vega; and D. A. M.)
·
Isomerization dynamics
of atomic clusters of transition metal ions in rare gas atoms (R. Asher, P. Brucat, and D. A. M.)
·
Electronic spectra of atoms excited in atomic and
molecular clusters.(G. Diercksen
and D. A. M.; B. Thorndyke; A. Leathers)
·
Visualization and animation of collisional electron transfer, and of photodesorption.(K. Runge; S. Wallace; J. Sund; Z. Yi; D. A. M.; B. Thorndyke;
A. Pacheco)