4 papers
Solution to the Thomson problem for Clifford tori with an application to Wigner crystals
Amer Alrakik, Miguel Escobar Azor, Véronique Brumas +3
In its original version, the Thomson problem consists of the search for the minimum-energy configuration of a set of point-like electrons that are confined to the surface of a two-…
Mapping of Hückel Zigzag Carbon Nanotubes onto independent Polyene chains: application to periodic Nanotubes
Grégoire François, Celestino Angeli, Gian Luigi Bendazzoli +3
The electric polarizability and the spread of the total position tensors are used to characterize the metallic vs insulator nature of large (finite) systems. Finite clusters are us…
Clifford Boundary Conditions for Periodic Systems: the Madelung Constant of Cubic Crystals in 1, 2 and 3 Dimensions
Nicolas Tavernier, Gian Luigi Bendazzoli, Véronique Brumas +2
In this work we demonstrate the robustness of a real-space approach for the treatment of infinite systems described with periodic boundary conditions that we have recently proposed…
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…