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Disambiguation of "Angeli, Celestino"

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A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function.

, , , , and . Journal of Computational Chemistry, 40 (14): 1463-1470 (2019)

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A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function., , , , and . Journal of Computational Chemistry, 40 (14): 1463-1470 (2019)Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme., and . Comput. Phys. Commun., 166 (1): 53-57 (2005)Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program., and . Comput. Phys. Commun., 184 (2): 443-444 (2013)FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions., and . Comput. Phys. Commun., 171 (1): 63-68 (2005)On the nature of the pi -> pi* ionic excited states: The V state of ethene as a prototype.. Journal of Computational Chemistry, 30 (8): 1319-1333 (2009)Bond electron pair: Its relevance and analysis from the quantum chemistry point of view., , , and . Journal of Computational Chemistry, 28 (1): 35-50 (2007)Improving the calculation of magnetic coupling constants in MRPT methods., , , and . Journal of Computational Chemistry, 35 (23): 1665-1671 (2014)Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library., , , , , and . ICCSA (1), volume 5072 of Lecture Notes in Computer Science, page 1094-1107. Springer, (2008)On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes., , , , , and . Journal of Computational Chemistry, 29 (6): 994-1003 (2008)Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+ bimetallic complex., , , and . Journal of Computational Chemistry, 36 (11): 861-869 (2015)