In addition to the total energy calculations, I will
apply the wave-function-based approach to calculate a host of properties
of crystalline
systems, within a many-body framework. Although, I, along with the
Dresden/Stuttgart collaboration, have developed a
many-body theory for the total ground-state energy of periodic insulators,
however, various properties, such as x-ray structure factors, Born charges,
and Compton profiles etc. of these systems have only been computed within the
Hartree-Fock framework. Therefore, in the immediate future, I intend to
overcome this shortcoming by developing an ab initio many-body
theory of x-ray scattering quantities such
as the static structure factor and directional Compton profiles of
such systems. In addition, the many-body theory of the polarization
properties of insulators will also be developed, and will be used to
compute the influence of electron correlation effects on quantities
such as Born effective charges, piezoelectricity, and ferroelectricity
of dielectrics. With this aim in mind, recently, I have submitted a
project proposal to the Department of Science and Technology, for funding my
research in this direction.
