Full Description
This book discusses the effect of the excitation of rotational, vibrational, and electronic degrees of freedom on the basic electrical properties of molecules and, as a consequence, on molecular optical and transport properties together with reactivity. It additionally summarizes the theory and practice of calculating state-specific electric and optical properties based on ab initio quantum chemical calculations. The book offers a clear, up-to-date review and is primarily intended for actively working researchers, graduate students, and advanced undergraduates who are interested in the electric and related properties of the electronically, rotationally, and vibrationally excited molecules.
Contents
Introduction.- Dependencies of Potential Energy and Electric Properties of Molecule on Nuclear Displacements.- Energy Levels and State-Specific Electric Properties.- Influence of Vibrational and Rotational Degrees of Freedom of Molecules on Their Optical Properties.- Polarizability of Electronically Excited States.- The Effect of Non-equilibrium in Internal Degrees of Freedom of Molecules on Their Physical Properties.- Conclusions and Future Prospects.
