During this lecture,I will illustrate how Time-Dependent Density Functional Theory(TD-DFT) can be sucessfully used to simulate the properties of electronically
Singlet fission is a photophysical process in which a singlet excited molecule shares some of its energy with a nearby ground state molecule to produce two trip
The adiabatic connection in density functional theory provides a series of model Hamiltonians.Could such Hamiltonians be used for providing physically reasonabl
Quantum dynamics is ubiquitous in chemistry;it underlies photochemistry,electron transfer processes,nonradiative transitions,spectroscopy and much more.Yet quan
The inclusion of the effects of clcctron correlation and relativity may complicate accurate quantum chemical study of molecules and materials,on the other hand
Applications in optical and magnetic dewices have renewed the interest for the rationalization of spectroscopic and magnetic properties of lanthanide complexes
Excited state processes are of capital importance in many natural and artificial supramolecular systems.However the detailed understanding of the mechanisms bey
We propose a reformulation of the traditional(T) triples correction to the coupled cluster singles and doubles(CCSD) energy in terms of local Hartree-Fock(HF) o
The theory of atoms in molecules(AIM) as formulated by Prof.R.F.W.Bader and coworkers is a successful method for computing quantum mechanical atomic properties.
Excitons are a common concept in band-structure theory that rationalizes excited states as corrclatcd electron-hole pairs,or in other words as quasi-particles.