A brief review is given of how a constrained dipole oscillator strength distribution (DOSD) is constructed from experimental and possibly theoretical photoabsorption cross-sections with constraints provided by molar refractivity data and the Kuhn–Reiche–Thomas sum rule. Some recent refinements including the imposition of the correct high-energy behavior on the DOSD for homoatomic molecules are discussed and extended to the general molecular case. A sample application to pyridine is given.
It is a pleasure to have collaborated with Michael Springborg on scientific projects , on organizing a special issue of Computational and Theoretical Chemistry devoted to clusters , and on the organization of a symposium on clusters.
©2015 Walter de Gruyter Berlin/Boston