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Excitation of core levels in nonmetallic solids: Some theoretical problems
Author(s) -
Woodruff Truman O.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560220843
Subject(s) - atomic physics , excited state , electron , core electron , absorption (acoustics) , ion , excitation , relaxation (psychology) , photon , work (physics) , synchrotron radiation , chemistry , absorption edge , physics , nuclear physics , condensed matter physics , quantum mechanics , optics , psychology , social psychology , band gap
The radiation from charged particles undergoing centripetal or transverse acceleration in synchrotron or related devices is (a) excellent for spectroscopic studies involving the excitation of electrons from core levels in solids to states in or near the conduction band and vacuum continua, and (b) becoming much more widely available for experimentation. Thus, there is renewed interest in better understanding such excitations and the dynamics of processes initiated by them (Core H ole I nitiated R elaxation P rocesses). This article describes work done by the author and collaborators to calculate wavefunctions and associated energy eigenvalues of the localized states (ground and excited) found to be involved in the absorption of soft x rays near the observed edges (thresholds associated with the onset of absorption from deeper shells as the photon energy is increased). A convenient designation for the exploration of these structures is X ‐ray A bsorption N ear E dge Spectroscopy. Other work described involves calculations of the probabilities of the various processes [some electronic—and often Auger‐like—and some in which there are changes in the motion of the participating atoms (ions)] that could effect the annihilation of the core‐hole generated when a photon is absorbed.