Stefano Evangelisti - researchr alias

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Viewing Publication 1 - 17 from 17

2018

Confinement of the Pentanitrogen Cation Inside Carbon NanotubesStefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago. iccsa 2018: 579-592 [doi]

2014

2011

Heisenberg behavior of some carbon-beryllium compounds: How well truncated-CI approaches workCarmen J. Calzado, Antonio Monari, Stefano Evangelisti. jcc, 32(2):315-324, 2011. [doi]

2009

::::Ab-initio:::: multireference study of an organic mixed-valence Spiro molecular systemWissam Helal, Stefano Evangelisti, Thierry Leininger, Daniel Maynau. jcc, 30(1):83-92, 2009. [doi]

2008

Common Format for Quantum Chemistry Interoperability: Q5Cost Format and LibraryAnthony Scemama, Antonio Monari, Celestino Angeli, Stefano Borini, Stefano Evangelisti, Elda Rossi. iccsa 2008: 1094-1107 [doi]

2007

FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost LibraryStefano Borini, Antonio Monari, Elda Rossi, Attila Tajti, Celestino Angeli, Gian Luigi Bendazzoli, Renzo Cimiraglia, Andrew Emerson, Stefano Evangelisti, Daniel Maynau, José Sánchez-Marín, Péter Szalay. jcisd, 47(3):1271-1277, 2007. [doi]

2006

Ab-Initio Multi-reference Study of a Bistable Spiro MoleculeWissam Helal, Benoît Bories, Stefano Evangelisti, Thierry Leininger, Daniel Maynau. iccsa 2006: 744-751 [doi]

2005

A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approachStefano Borini, Daniel Maynau, Stefano Evangelisti. jcc, 26(10):1042-1051, 2005. [doi]

Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an exampleJ. M. Junquera-Hernández, José-Vicente Pitarch Ruiz, José Sánchez-Marín, Stefano Evangelisti, Daniel Maynau. jcc, 26(12):1254-1262, 2005. [doi]

2004

Local orbitals for excited statesJosé-Vicente Pitarch Ruiz, Stefano Evangelisti, Daniel Maynau. fgcs, 20(5):821-828, 2004. [doi]

2003

Common Data Format for Program Sharing and IntegrationElda Rossi, Andrew Emerson, Stefano Evangelisti. iccS 2003: 316-323 [doi]

1998

Full configuration interaction algorithm on a massively parallel architecture: Direct-list implementationElda Rossi, Gian Luigi Bendazzoli, Stefano Evangelisti. jcc, 19(6):658-672, 1998. [doi]

1997

Direct-list algorithm for configuration interaction calculationsLaura Gagliardi, Gian Luigi Bendazzoli, Stefano Evangelisti. jcc, 18(11):1329-1343, 1997. [doi]

1996

A One-Billion-Determinant Full-CI Benchmark on the Cray T3DRoberto Ansaloni, Stefano Evangelisti, Elda Rossi. hpcn 1996: 997-998

1995

Porting and optimizing a quantum-chemistry FCI algorithm on the Cray T3DRoberto Ansaloni, Elda Rossi, Stefano Evangelisti. hpcn 1995: 488-495

1992

Efficient Parallel Implementation of a Full Configuration Interaction Algorithm for Circular Polyenes On a Cray Y-MpRoberto Ansaloni, Stefano Evangelisti, Giuseppe Paruolo, Elda Rossi. ijhpca, 6(4):351-360, 1992. [doi]

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