FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions. - Celestino Angeli; Renzo Cimiraglia (Comput. Phys. Commun., 2005)

Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme. - Celestino Angeli; Renzo Cimiraglia (Comput. Phys. Commun., 2005)

Bond electron pair: Its relevance and analysis from the quantum chemistry point of view. - Jean-Paul Malrieu; Nathalie Guihéry; Carmen Jiménez Calzado; Celestino Angeli (J. Comput. Chem., 2007)

FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. - Stefano Borini; Antonio Monari; Elda Rossi; Attila Tajti; Celestino Angeli; Gian Luigi Bendazzoli; Renzo Cimiraglia; Andrew P. J. Emerson; Stefano Evangelisti; Daniel Maynau; José Sánchez-Marín; Péter G. Szalay (J. Chem. Inf. Model., 2007)

Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library. - Anthony Scemama; Antonio Monari; Celestino Angeli; Stefano Borini; Stefano Evangelisti; Elda Rossi (ICCSA (1), 2008)

On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. - Núria Queralt; David Taratiel; Coen de Graaf; Rosa Caballol; Renzo Cimiraglia; Celestino Angeli (J. Comput. Chem., 2008)

On the nature of the pi -> pi* ionic excited states: The V state of ethene as a prototype. - Celestino Angeli (J. Comput. Chem., 2009)

Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program. - Celestino Angeli; Renzo Cimiraglia (Comput. Phys. Commun., 2013)

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. - Elda Rossi; Stefano Evangelisti; Antonio Laganà; Antonio Monari; Sergio Rampino; Marco Verdicchio; Kim K. Baldridge; Gian Luigi Bendazzoli; Stefano Borini; Renzo Cimiraglia; Celestino Angeli; Peter Kallay; et al. (J. Comput. Chem., 2014)

Improving the calculation of magnetic coupling constants in MRPT methods. - Mariano Spivak; Celestino Angeli; Carmen Jiménez Calzado; Coen de Graaf (J. Comput. Chem., 2014)

Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+ bimetallic complex. - Alex Domingo; Celestino Angeli; Coen de Graaf; Vincent Robert (J. Comput. Chem., 2015)

A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. - Christian Kollmar; Kantharuban Sivalingam; Benjamin Helmich-Paris; Celestino Angeli; Frank Neese (J. Comput. Chem., 2019)