We present the recent new developments of time-dependent Schrödinger equation and time-dependent density-functional theory for accurate and efficient treatment of the electronic structure and time-dependent quantum dynamics of many-electron atomic and molecular systems in intense laser fields. We extend time-dependent generalized pseudospectral (TDGPS) numerical method developed for time-dependent wave equations in multielectron systems. The TDGPS method allows us to obtain highly accurate time-dependent wave functions with the use of only a modest number of spatial grid point for complex quantum dynamical calculations. The usefulness of these procedures is illustrated by a few case studies of atomic and molecular processes of current interests in intense laser fields, including multiphoton ionization, above-threshold ionization, high-order harmonic generation, attosecond pulse generation, and quantum dynamical processes related to multielectron effects. We conclude this paper with some open questions and perspectives of multiphoton quantum dynamics of many-electron atomic and molecular systems in intense laser fields.
A brief history of the impurity theories in semiconductors is provided. A bound exciton model is proposed for both donor-and acceptor-like impurities and point defects, which offers a unified understanding for “shallow” and “deep” impurities and point defects. The underlying physics of computational results using different density-functional theory-based approaches are discussed and interpreted in the framework of the bound exciton model.