Search for: All records

A generalized Sellmeier model, also referred to as the Lorentz-Dirac model, has been used for the description of the dielectric function of a number of technologically important materials in the literature. This model represents the frequency-dependent dielectric function as a sum over Green functions of classical damped harmonic oscillators, much in analogy with the functional form used for the dynamic polarizability of an atom, but with one important addition, namely, a complex-valued oscillator strength in the numerator. Here, we show that this generalized functional form can be justified based on the response function of coupled damped oscillators. The encountered analogies suggest an explanation for the generally observed success of the Lorentz-Dirac model in describing the dielectric function of crystals of consummate technological significance. 

The onset of retardation effects in atom-wall interactions is studied. It is shown that the transition range from the $1/z^3$ short-range (van der Waals) interaction to the $1/z^4$ long-range (Casimir) retarded interaction critically depends on the atomic properties and on the dielectric function of the material. For simple non-alkali atoms (e.g., ground-state hydrogen and ground-state helium) interacting with typical dielectric materials such as intrinsic silicon, the transition to the retarded regime is shown to proceed at a distance of about 10 nm (200 Bohr radii). This is much shorter than typical characteristic absorption wavelengths of solids. Larger transition regimes are obtained for atoms with a large static polarizability such as metastable helium. We present a simple estimate, $$z_{crit} = 137 \, \sqrt{\alpha(0)/Z}$$ atomic units, where $$\alpha(0)$$ is the static polarizability (expressed in atomic units) and Z is the number of electrons of the atom. 

In this paper, the history, present status, and future of density-functional theory (DFT) is informally reviewed and discussed by 70 workers in the field, including molecular scientists, materials scientists, method developers and practitioners. The format of the paper is that of a roundtable discussion, in which the participants express and exchange views on DFT in the form of 302 individual contributions, formulated as responses to a preset list of 26 questions. Supported by a bibliography of 777 entries, the paper represents a broad snapshot of DFT, anno 2022.