127 citations · 144 across the 4 of their papers we have counts for
5 papers
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…
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…
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…
A Jeziorski-Monkhorst fully uncontracted Multi-Reference perturbative treatment I: principles, second-order versions and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron +2
The present paper introduces a new multi-reference perturbation approach developed at second order, based on a Jeziorsky-Mokhorst expansion using individual Slater determinants as…
Multi-reference perturbation theory with Cholesky decomposition for the density matrix renormalization group
Leon Freitag, Stefan Knecht, Celestino Angeli +1
We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Chole…