Evaluation of the electron momentum density of crystalline systems from ab initio linear combination of atomic orbitals calculations. - Alessandro Erba 002; Cesare Pisani (J. Comput. Chem., 2012)

Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon. - Alessandro Erba 002; Matteo Ferrabone; Roberto Orlando; Roberto Dovesi (J. Comput. Chem., 2013)

Electron density analysis of large (molecular and periodic) systems: A parallel implementation. - Silvia Casassa; Alessandro Erba 002; Jacopo Baima; Roberto Orlando (J. Comput. Chem., 2015)

Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approaches. - Alessandro Erba 002; Dominique Caglioti; Claudio Marcelo Zicovich-Wilson; Roberto Dovesi (J. Comput. Chem., 2017)

CRYSTALpytools: A Python infrastructure for the Crystal code. - Bruno Camino; Huanyu Zhou; Eleonora Ascrizzi; Alberto Boccuni; Filippo Bodo; Alessandro Cossard; Davide Mitoli; Anna Maria Ferrari; Alessandro Erba 002; Nicholas M. Harrison (Comput. Phys. Commun., 2023)

Chemical bonding in Uranium-based materials: A local vibrational mode case study of Cs 2 UO 2 Cl 4 and UCl 4 crystals. - Filippo Bodo; Alessandro Erba 002; Elfi Kraka; Renaldo T. Moura Jr. (J. Comput. Chem., 2024)