Celestino Angeli

According to our database1, Celestino Angeli authored at least 12 papers between 2005 and 2019.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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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 Fe3+/Fe2+ bimetallic complex.
J. Comput. Chem., 2015

2014
Improving the calculation of magnetic coupling constants in MRPT methods.
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

Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library.
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


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