We discuss the concept and design of effective atom–atom potentials that accurately describe any physical processes involving only states around the threshold. The existence of such potentials gives hope to a quantitative, and systematic, understanding of quantum few-atom and quantum many-atom systems at relatively low temperatures. The concept of the model potential has played an important rol...

The recent paper of M. Dolg is discussed and his critical remarks with respect to the Generalized Relativistic Effective Core Potential (GRECP) method are shown to be incorrect. Some main features of GRECP are discussed as compared with the " energy-consistent/adjusted " pseudopotential and with the conventional shape-consistent RECP.

Auger rates are calculated for CdSe colloidal quantum dots using atomistic empirical pseudopotential wave functions. We predict the dependence of Auger electron cooling on size, on correlation effects (included via configuration interaction), and on the presence of a spectator exciton. Auger multiexciton recombination rates are predicted for biexcitons as well as for triexcitons. The results ag...

Calculations are performed on several aspects of the luminescence of pure CsI and CsI: Na. These include electronic-structure calculations by both pseudopotential and semiempirical molecular-orbital methods, as well as lattice-configuration studies. The results suggest that the main observed emission in CsI: Na at 2.95 eV involves the recombination of a self-trapped exciton immediately adjacent...

The concentration dependency of the isothermal compressibility of the Na-Cs liquid alloy at T=373K is calculated by the variational method with hard-sphere reference system. The local Animalu-Heine model pseudopotential and Toigo-Woodruff exchange-correlation function are used for the calculation. Very good agreement with experimental data is achieved.