in chemisorption or electrochemical processes, as revealed by difference density of states calculations, provides basic information about interfacial chemical bonds and is particularly relevant for semiconductors, due to the relation of semiconductor interfacial processes to the band structure and band-gap. ...
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: the Qx band of porphyrin as a case study. J. Chem. Phys. 128, 224311 (2008). Article ADS CAS PubMed Google Scholar Barone, V., Bloino, ...
Local electronic structure of Fe2+ impurities in MgO thin films: Temperature-dependent soft x-ray absorption spectroscopy study We report on the local electronic structure of Fe impurities in MgO thin films. Using soft x-ray absorption spectroscopy, we verified that the Fe impuritie... T Haupric...
Another important angular distribution is the "photoemission structure factor PSF", which originates from the interference among photoelectron waves from individual atoms. PSF determines the intensity inequivalency between Brillouin zones and reveals the bonding character of the energy band....