Dynamical adiabatic theory of atomic collisions: The global structure of dynamical adiabatic potential energy curves

摘要

The concept of dynamical adiabatic states, originally proposed to describe one-electron atom(ion)-ion collision systems is developed and the properties of the corresponding dynamical adiabatic potential energy curves are studied for a complete range of internuclear separations R. The advantages of a dynamical adiabatic basis are threefold. First, it is compatible with the boundary conditions, whereas in standard adiabatic two-Coulomb center basis we have nonvanishing inelastic transitions when internuclear distance R→∞. Second, rotational transitions are transformed into radial transitions via a type of hidden crossings in contrast with the standard adiabatic basis, where these transitions could only be included by numerical close-coupling calculations. And third, the ionization process can be described using a basis of the complete discrete orthogonal wave packets, which is much more satisfactory for the process compared with the standard adiabatic approach where the continuum states which have no direct physical meaning are employed. Results of the calculation for the (HeH)2~+ quasimolecular system are presented and discussed. Comparison is made with previous results derived by perturbation theory in the united-atom and separated atoms limits.