D. Rutkowska-Żbik

Exploration of Excited Molecular States With Localized Orbital Locator Function

Localized orbital locator (LOL), which is a function derived from the kinetic energy density, is known to provide detailed features of the electronic structure of molecules in a way close to chemist's viewpoint, that is, by examining and quantifying interatomic connections. In this study we show that the extension of...