40 citations · 64 across the 6 of their papers we have counts for
7 papers
Quantum chemistry for solids made simple on the Clifford torus
Amer Alrakik, Gian Luigi Bendazzoli, Stefano Evangelisti +1
We present a general theory to treat periodic solids with quantum-chemistry methods. It relies on two main developments: 1) the modeling of a solid as a Clifford torus which is a t…
The Emergence of the Hexagonal Lattice in Two-Dimensional Wigner Fragments
Miguel Escobar Azor, Amer Alrakik, Louan de Bentzmann +4
At very low density, the electrons in a uniform electron gas spontaneously break symmetry and form a crystalline lattice called a Wigner crystal. But which type of crystal will the…
Restricted Stacks as Functions
Katalin Berlow
The stack sort algorithm has been the subject of extensive study over the years. In this paper we explore a generalized version of this algorithm where instead of avoiding a single…
Clifford boundary conditions: a simple direct-sum evaluation of Madelung constants
Nicolas Tavernier, Gian Luigi Bendazzoli, Véronique Brumas +2
We propose a simple direct-sum method for the efficient evaluation of lattice sums in periodic solids. It consists of two main principles: i) the creation of a supercell that has t…
Accurate optical spectra of solids from pure time-dependent density-functional theory
Sarah Cavo, J. A. Berger, Pina Romaniello
We present accurate optical spectra of semiconductors and insulators within a pure Kohn-Sham time-dependent density-functional approach. In particular, we show that the onset of th…
Many-body perturbation theory and non-perturbative approaches: the screened interaction as key ingredient
Walter Tarantino, Bernardo S. Mendoza, Pina Romaniello +2
Many-body perturbation theory is often formulated in terms of an expansion in the dressed instead of the bare Green's function, and in the screened instead of the bare Coulomb inte…
Fully parameter-free calculation of optical spectra for insulators, semiconductors and metals from a simple polarization functional
J. A. Berger
We present a fully parameter-free density-functional approach for the accurate description of optical absorption spectra of insulators, semiconductors and metals. We show that this…