In this paper we show how to employ the inverse Born-Oppenheimer approximation to establish a basis set to study zero kinetic energy (ZEKE) spectroscopy and the autoionization dynamics of the ZEKE Rydberg states. The calculations of vibrational and rotational autoionizations of a homonuclear diatomic molecule will be demonstrated as an example. The scaling laws for the autoionization rate constants are determined through nonlinear modeling of the calculated data.
|Journal||Journal of Physics: Conference Series|
|State||Published - 1 Jan 2010|
|Event||International Workshop on Electronic Spectroscopy for Gas-phase Molecules and Solid Surfaces, IWES2009 - Matsushima, Japan|
Duration: 12 Oct 2009 → 15 Oct 2009