Computational study of the accuracy of the r-centroid approximation
Abstract The r -centroid approximation, used in the analysis of intensity measurements of electronic band spectra of diatomic molecules, allows a separation of the band strength into a pure vibrational term (the Franck-Condon factor q v ′ v ″ ) and an electronic term [the electronic transition moment Re ( r )]. The r -centroid approximation is known to have limits to its applicability. However, no specific error limits have previously been given. A computational study has been performed using several molecules and analytic curves to determine specific error limits which can be assigned to either a specific band strength, or in estimating the electronic transition moment using the r -centroid approximation. Other techniques suggested for the evaluation of Re ( r ) have also been tested.
Software engineers often need to identify and correct design defects, i.e., recurring design problems that hinder development and maintenance by making programs harder to comprehend and/or evolve. While detection of design defects is an actively researched area, their correction- mainly a manual and time-consuming activity- is yet to be extensively investigated for automation. In this paper, we propose an automated approach for suggesting defect-correcting refactorings using relational concept analysis (RCA). The added value of rca consists in exploiting the links between formal objects which abound in a software re-engineering context. We validated our approach on instances of the Blob design defect taken from four different open-source programs.