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Journal Articles
- 2014
[j6]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, Hans Peter Lüthi, Kenneth Ruud, José Sánchez-Marín, Anthony Scemama, Péter G. Szalay, Attila Tajti:
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. J. Comput. Chem. 35(8): 611-621 (2014)- 2013
- [j5]Celestino Angeli, Renzo Cimiraglia:
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program. Comput. Phys. Commun. 184(2): 443-444 (2013) - 2008
- [j4]Núria Queralt, David Taratiel, Coen de Graaf, Rosa Caballol, Renzo Cimiraglia, Celestino Angeli:
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. J. Comput. Chem. 29(6): 994-1003 (2008) - 2007
- [j3]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:
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. J. Chem. Inf. Model. 47(3): 1271-1277 (2007) - 2005
- [j2]Celestino Angeli, Renzo Cimiraglia:
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme. Comput. Phys. Commun. 166(1): 53-57 (2005) - [j1]Celestino Angeli, Renzo Cimiraglia:
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions. Comput. Phys. Commun. 171(1): 63-68 (2005)
Coauthor Index
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