2 papers
cond-mat.mes-hall2019
KITE: high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures
Simão M. João, Miša Anđelković, Lucian Covaci +3
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale mo…
cond-mat.other2018
Basis-Independent Spectral Methods for Non-linear Optical Response in Arbitrary Tight-binding Models
S. M. João, J. M. V. P. Lopes
In this paper, we developed a basis-independent perturbative method for calculating the non-linear optical response of arbitrary non-interacting tight-binding models. Our method is…