Celestino Angeli - Dissemin

Papers authored by Celestino Angeli

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2002 Celestino Angeli

, Renzo Cimiraglia, Jean-Paul Malrieu

n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants

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Celestino Angeli

, Stefano Evangelisti, Renzo Cimiraglia, Daniel Maynau

A novel perturbation-based complete active space–self-consistent-field algorithm: Application to the direct calculation of localized orbitals

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2001 Celestino Angeli

, Renzo Cimiraglia, Jean-Paul Malrieu

N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant

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Celestino Angeli

, Renzo Cimiraglia

Multireference perturbation CI IV. Selection procedure for one-electron properties

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C. Angeli

, R. Cimiraglia, S. Evangelisti, T. Leininger, J.-P. Malrieu

Introduction of n-electron valence states for multireference perturbation theory

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2000 Celestino Angeli

, Renzo Cimiraglia, Jean-Paul Malrieu

On a mixed Møller–Plesset Epstein–Nesbet partition of the Hamiltonian to be used in multireference perturbation configuration interaction

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1999 Celestino Angeli

, Christian Rolando, Michèle Suard

Complexation of transition metal cations (Sc+, Fe+, Cu+) by one cyanide radical ##dedicated to Professor Del Re

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1998 Celestino Angeli

, Renzo Cimiraglia, Maurizio Persico

Multireference perturbation CI III. Fast evaluation of the one-particle density matrix

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Celestino Angeli

Physical Interpretation of Koopmans' Theorem: A Criticism of the Current Didactic Presentation

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1997 Celestino Angeli

, Maurizio Persico

Multireference perturbation CI II. Selection of the zero-order space

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Celestino Angeli

, Renzo Cimiraglia, Maurizio Persico, Alessandro Toniolo

Multireference perturbation CI I. Extrapolation procedures with CAS or selected zero-order spaces

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C. Angeli

, G. Berthier, C. Rolando, M. Sablier, C. Alcaraz, O. Dutuit

Threshold photoionization study of Fe(CO)5 versus ab initio calculations

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S. Magnier, C. Angeli

, G. Granucci, F. Masnou-Seeuws, M. Allegrini, M. Persico

Theoretical study of Na(4p2P) + Na(3s2S) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na

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1996 Celestino Angeli

, Renzo Cimiraglia, Hans-Jörg Hofmann

On the competition between the inversion and rotation mechanisms in the cis-trans thermal isomerization of diazene

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Celestino Angeli

, Giovanni Granucci, Maurizio Persico

A surface hopping study of energy transfer in Na + Cd∗* collisions

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Celestino Angeli

, Maurizio Persico

Quasi-diabatic and adiabatic states and potential energy curves for NaCd collisions and excimer formation

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C. Angeli

, M. Persico

Quasi-diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation

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1995 Celestino Angeli

, Giuseppe Del Re, G. Delre, Maurizio Persico

Quasi-bond orbitals from maximum-localization hybrids for ab initio CI calculations

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C. Angeli

, M. Persico, M. Allegrini, G. De Filippo, F. Fuso, L. Windholz, D. Gruber, M. Musso

Theoretical analysis of the emission spectra of the NaCd excimer

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1970 Anthony Scemama, Antonio Monari

, Celestino Angeli

, Stefano Borini, Stefano Evangelisti, Elda Rossi

Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library

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Papers authored by Celestino Angeli