Celestino Angeli

Publication Activity (10 Years)

Years Active: 2005-2019
Publications (10 Years): 2

Top Topics

Computationally Intensive

Optimization Procedure

Prolate Spheroidal

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

Publications

Christian Kollmar, Kantharuban Sivalingam, Benjamin Helmich-Paris, Celestino Angeli, Frank Neese
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. J. Comput. Chem. 40 (14) (2019)
Alex Domingo, Celestino Angeli, Coen de Graaf, Vincent Robert
bimetallic complex. J. Comput. Chem. 36 (11) (2015)
Mariano Spivak, Celestino Angeli, Carmen Jiménez Calzado, Coen de Graaf
Improving the calculation of magnetic coupling constants in MRPT methods. J. Comput. Chem. 35 (23) (2014)
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 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) (2014)
Celestino Angeli, Renzo Cimiraglia
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program. Comput. Phys. Commun. 184 (2) (2013)
Celestino Angeli
On the nature of the pi -> pi* ionic excited states: The V state of ethene as a prototype. J. Comput. Chem. 30 (8) (2009)
Anthony Scemama, Antonio Monari, Celestino Angeli, Stefano Borini, Stefano Evangelisti, Elda Rossi
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library. ICCSA (1) (2008)
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) (2008)
Stefano 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
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. J. Chem. Inf. Model. 47 (3) (2007)
Jean-Paul Malrieu, Nathalie Guihéry, Carmen Jiménez Calzado, Celestino Angeli
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view. J. Comput. Chem. 28 (1) (2007)
Celestino Angeli, Renzo Cimiraglia
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions. Comput. Phys. Commun. 171 (1) (2005)
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) (2005)