The ultimate solution of the long-standing polarization problem was arrived at along the 1990s; polarization theory is nowadays routinely implemented in most electronic-structure codes. Notwithstanding, even the basic principles of the theory remain somewhat obscure to many physicists. I will present the fundamentals of the theory and (time permitting) the logic behind a novel derivation [1] of the main formulas.
The seminar will be introduced by Jiří Hlinka
Important notice: Guests from outside of the Departments of Dielectrics are kindly asked to contact nemec [at] fzu [dot] cz for access instructions. Link to the webmeeting access will be sent shortly before the seminar.
[1] R. Resta, “From the dipole of a crystallite to the polarization of a crystal”, J. Chem. Phys. 154, 050901 (2021).