33 citations · 98 across the 11 of their papers we have counts for
11 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…
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…
The Wigner localization of interacting electrons in a one-dimensional harmonic potential
Xabier Telleria-Allika, Miguel Escobar Azor, Grégoire François +5
approaches. We demonstrate that the Wigner regime can be reached using small values of the confinement parameter. To obtain physical insight in our results we analyze them with a s…
A unique one-body position operator for periodic systems
Stefano Evangelisti, Faten Abu-Shoga, Celestino Angeli +2
In this work we proof that the one-body position operator for periodic systems that we have recently proposed [Phys. Rev. B 99, 205144] is unique modulo a phase factor and an addit…
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…
The localization spread and polarizability of rings and periodic chains
Celestino Angeli, Gian Luigi Bendazzoli, Stefano Evangelisti +1
The localization spread gives a criterion to decide between metallic versus insulating behaviour of a material. It is defined as the second moment cumulant of the many-body positio…
Accurate ground-state energies of Wigner crystals from a simple real-space approach
Estefania Alves, Gian Luigi Bendazzoli, Stefano Evangelisti +1
We propose a simple and efficient real-space approach for the calculation of the ground-state energies of Wigner crystals in 1, 2, and 3 dimensions. To be precise, we calculate the…
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…
A simple position operator for periodic systems
Emilia Aragao Valença, Diego Moreno, Stefano Battaglia +5
We present a position operator that is compatible with periodic boundary conditions (PBC). It is a one-body operator that can be applied in calculations of correlated materials by…
Density matrix renormalization group study of dimerization of the Pariser-Parr-Pople model of polyacetilene
G. L. Bendazzoli, S. Evangelisti, G. Fano +2
We apply the DMRG method to the Pariser-Parr-Pople hamiltonian and investigate the onset of dimerization. We deduce the parameters of the hopping term and the contribution of the s…