Universidad Autonoma de Madrid, Spain
- Universidad Autonoma de Madrid, Spain
- I. Rabadán, http://tcam.qui.uam.es/ismanuel/
- MELDF*-TCAM, QUAN, SEIKON, CTMC
- These codes perform calculations of electronic excitation, single and double charge transfer, molecular vibrational excitation, vibrationally-resolved charge transfer, vibrationally-resolved electronic excitation, ionization of atoms and molecules. They can treat poly- and mono-electron systems over entire range of energies from 1.e-3 eV/amu to 1.e6 eV/amu. (Add link and web page with references, etc.)
Theoretical treatment of ion-atom and ion-molecule collisions
I presented a summary of the methodologies that we have assembled to treat ion-atom and ion-molecule collisions. Some of these methodologies can deal with systems with more than two active electrons, which is particularly important for the intermediate range of collisional energies (around 1 keV/u). At the same time, we have developed methods to treat complex systems (many electrons) using one-electron wave functions and/or classical mechanics.
A chart of codes with a brief summary of their capabilities was presented, alongside a few examples showing recent results on isotope effects in beryllium collisions with hydrogen and collisions with molecules like CH4. The possibility of other users using the codes was also discussed.