Sfoglia per Autore
Quasi-bond orbitals from maximum-localizzation hybrids for ab initio calculations
file con accesso da definire1995 Angeli, Celestino; DEL RE, G.; Persico, M.
Theoretical analisis of the emission spectra of the NaCd excimer
file con accesso da definire1995 Angeli, Celestino; Persico, M.; Allegrini, M.; DE FILIPPO, G.; Fuso, F.; Gruber, D.; Windholz, L.; Musso, M.
On the competition between inversion and rotation mechanism in the cis-trans thermal isomerization of diazene
file con accesso da definire1996 Angeli, Celestino; Cimiraglia, Renzo; Hofmann, H. J.
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation
file con accesso da definire1996 Angeli, Celestino; Persico, M.
A surface hopping study of energy transfer in Na + Cd* collisions
file con accesso da definire1996 Angeli, Celestino; Granucci, G.; Persico, M.
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations
file con accesso da definire1997 Angeli, Celestino; Berthier, G.; Rolando, C.; Sablier, M.; Alcaraz, C.; Dutuit, O.
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na
file con accesso da definire1997 Magnier, S.; Angeli, Celestino; Granucci, G.; MASNOU SEEUWS, F.; Allegrini, M.; Persico, M.
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces
file con accesso da definire1997 Angeli, Celestino; Cimiraglia, Renzo; Persico, M.; Toniolo, A.
Multireference perturbation CI II: selection of the zero-order space
file con accesso da definire1997 Angeli, Celestino; Persico, M.
Physical interpretation of Koopmans' theorem: a cricticism to the current didactic presentation
file con accesso da definire1998 Angeli, Celestino
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix
file con accesso da definire1998 Angeli, Celestino; Cimiraglia, Renzo; Persico, M.
Problems and projects in multireference perturbation CI
file con accesso da definire1999 Angeli, Celestino; Cimiraglia, Renzo
On a mixed Moller--Plesset Epstein--Nesbet partition of the Hamiltonian to be used in Multireference Perturbation CI
file con accesso da definire2000 Angeli, Celestino; Cimiraglia, Renzo; Malrieu, J. P.
Complexation of transition metal cations (Sc+, Fe+, Cu+) by one cyanide radical
file con accesso da definire2000 Angeli, Celestino; Rolando, C.; Suard, M.
Applicazione della n-electron valence state perturbation theory (NEV-PT).
file con accesso da definire2001 Angeli, Celestino; Cimiraglia, Renzo
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory.
file con accesso da definire2001 Angeli, Celestino; Cimiraglia, Renzo
Introduction of n-electron valence states for multireference perturbation theory
file con accesso da definire2001 Angeli, Celestino; Cimiraglia, Renzo; Evangelisti, S.; Leininger, T.; Malrieu, J. P.
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
file con accesso da definire2001 Angeli, Celestino; Cimiraglia, Renzo; Malrieu, J. P.
Multireference perturbation CI IV. Selection procedure for one-electron properties
file con accesso da definire2001 Angeli, Celestino; Cimiraglia, Renzo
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions.
file con accesso da definire2002 Angeli, Celestino; Cimiraglia, Renzo
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