Celestino Angeli
Orcid: 0000-0003-1348-8175
According to our database1,
Celestino Angeli
authored at least 12 papers
between 2005 and 2019.
Collaborative distances:
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Bibliography
2019
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function.
J. Comput. Chem., 2019
2015
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe<sup>3+</sup>/Fe<sup>2+</sup> bimetallic complex.
J. Comput. Chem., 2015
2014
J. Comput. Chem., 2014
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model.
J. Comput. Chem., 2014
2013
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program.
Comput. Phys. Commun., 2013
2009
On the nature of the pi -> pi* ionic excited states: The V state of ethene as a prototype.
J. Comput. Chem., 2009
2008
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes.
J. Comput. Chem., 2008
Proceedings of the Computational Science and Its Applications - ICCSA 2008, International Conference, Perugia, Italy, June 30, 2008
2007
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library.
J. Chem. Inf. Model., 2007
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view.
J. Comput. Chem., 2007
2005
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme.
Comput. Phys. Commun., 2005
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions.
Comput. Phys. Commun., 2005