Celestino Angeli

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2019 J jnl
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function.
J. Comput. Chem.
Christian Kollmar, Kantharuban Sivalingam, Benjamin Helmich-Paris, Celestino Angeli, Frank Neese
2015 J jnl
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe
J. Comput. Chem.
Alex Domingo, Celestino Angeli, Coen de Graaf, Vincent Robert
2014 J jnl
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model.
J. Comput. Chem.
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
2014 J jnl
Improving the calculation of magnetic coupling constants in MRPT methods.
J. Comput. Chem.
Mariano Spivak, Celestino Angeli, Carmen Jiménez Calzado, Coen de Graaf
2013 J jnl
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program.
Comput. Phys. Commun.
Celestino Angeli, Renzo Cimiraglia
2009 J jnl
On the nature of the pi -> pi* ionic excited states: The V state of ethene as a prototype.
J. Comput. Chem.
Celestino Angeli
2008 — conf
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library.
ICCSA (1)
Anthony Scemama, Antonio Monari, Celestino Angeli, Stefano Borini, Stefano Evangelisti, Elda Rossi
2008 J jnl
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes.
J. Comput. Chem.
Núria Queralt, David Taratiel, Coen de Graaf, Rosa Caballol, Renzo Cimiraglia, Celestino Angeli
2007 J jnl
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view.
J. Comput. Chem.
Jean-Paul Malrieu, Nathalie Guihéry, Carmen Jiménez Calzado, Celestino Angeli
2007 J jnl
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library.
J. Chem. Inf. Model.
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
2005 J jnl
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme.
Comput. Phys. Commun.
Celestino Angeli, Renzo Cimiraglia
2005 J jnl
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions.
Comput. Phys. Commun.
Celestino Angeli, Renzo Cimiraglia