Efficient Parallel Implementation of a Full Configuration Interaction Algorithm for Circular Polyenes On a Cray Y-Mp. - Roberto Ansaloni; Stefano Evangelisti; Giuseppe Paruolo; Elda Rossi (Int. J. High Perform. Comput. Appl., 1992)

Porting and optimizing a quantum-chemistry FCI algorithm on the Cray T3D. - Roberto Ansaloni; Elda Rossi; Stefano Evangelisti (HPCN Europe, 1995)

A One-Billion-Determinant Full-CI Benchmark on the Cray T3D. - Roberto Ansaloni; Stefano Evangelisti; Elda Rossi (HPCN Europe, 1996)

Direct-list algorithm for configuration interaction calculations. - Laura Gagliardi; Gian Luigi Bendazzoli; Stefano Evangelisti (J. Comput. Chem., 1997)

Full configuration interaction algorithm on a massively parallel architecture: Direct-list implementation. - Elda Rossi; Gian Luigi Bendazzoli; Stefano Evangelisti (J. Comput. Chem., 1998)

Common Data Format for Program Sharing and Integration. - Elda Rossi; Andrew P. J. Emerson; Stefano Evangelisti (International Conference on Computational Science, 2003)

Local orbitals for excited states. - José-Vicente Pitarch Ruiz; Stefano Evangelisti; Daniel Maynau (Future Gener. Comput. Syst., 2004)

A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach. - Stefano Borini; Daniel Maynau; Stefano Evangelisti (J. Comput. Chem., 2005)

Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example. - J. M. Junquera-Hernández; José-Vicente Pitarch Ruiz; José Sánchez-Marín; Stefano Evangelisti; Daniel Maynau (J. Comput. Chem., 2005)

Ab-Initio Multi-reference Study of a Bistable Spiro Molecule. - Wissam Helal; Benoît Bories; Stefano Evangelisti; Thierry Leininger; Daniel Maynau (ICCSA (1), 2006)

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)

Ab-initio multireference study of an organic mixed-valence Spiro molecular system. - Wissam Helal; Stefano Evangelisti; Thierry Leininger; Daniel Maynau (J. Comput. Chem., 2009)

Heisenberg behavior of some carbon-beryllium compounds: How well truncated-CI approaches work. - Carmen Jiménez Calzado; Antonio Monari; Stefano Evangelisti (J. Comput. Chem., 2011)

The total Position Spread in mixed-valence compounds: A study on the H4+ model system. - Gian Luigi Bendazzoli; Muammar El Khatib; Stefano Evangelisti; Thierry Leininger (J. Comput. Chem., 2014)

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)

Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes. - Stefano Battaglia; Stefano Evangelisti; Thierry Leininger; Noelia Faginas Lago (ICCSA (5), 2018)