Starting from the knowledge of first-order changes of wave functions and density with
respect to small atomic displacements or infinitesimal homogeneous electric fields within the …

This article reviews the current status of lattice-dynamical calculations in crystals, using
density-functional perturbation theory, with emphasis on the plane-wave pseudopotential …

We propose a general scheme, within the density-functional theory, for an accurate
computation of a large class of nonlinear-response coefficients of solids. The scheme is …

The changes in density, wave functions, and self-consistent potentials of solids, in response
to small atomic displacements or infinitesimal homogeneous electric fields, are considered …

Time-dependent density functional theory has been used to calculate the static and
frequency-dependent dielectric function ε (ω) of nonmetallic crystals. We show that a real …

The direct calculation of the elastic and piezoelectric tensors of solids can be accomplished
by treating homogeneous strain within the framework of density-functional perturbation …

The methods of density-functional perturbation theory may be used to calculate various
physical response properties of insulating crystals including elastic, dielectric, Born charge …

We study the screening of a macroscopic electric field in a crystalline dielectric. Density-
functional perturbation theory provides the static dielectric constant (or tensor) as a bulk …

The dielectric function of a range of nonmetallic crystals of various lattice types is studied by
means of a real-space and full-potential time-dependent density-functional method within …

The nonlinear response of infinite periodic solids to homogenous electric fields and
collective atomic displacements is discussed in the framework of density functional …