Electronic Dynamics of Complex DIET Excitations
Our goal is to understand desorption cross sections from first principles. This means that we need to know the magnitude and the variation between different chemical structures of all the relevant probabilities, the product of which is the total cross section. Here we omit discussions on the probability of creating the initial excitation and on the probability for excitation decays involving processes such as pair production or valence Auger. We focus instead on the least known probability: namely, that an excitation will localize on one site (or having been created there, remain on that site in spite of the ability to hop) and lead to desorption. We shall call this effect the localization probability.
KeywordsPair Production Central Site Sandia National Laboratory Auger Spectrum Valence Region
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