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Stefano Evangelisti
Stefano Evangelisti
Laboratoire de Chimie et Physique Quantiques
Verified email at univ-tlse3.fr
Title
Cited by
Cited by
Year
Introduction of n-electron valence states for multireference perturbation theory
C Angeli, R Cimiraglia, S Evangelisti, T Leininger, JP Malrieu
The Journal of Chemical Physics 114 (23), 10252-10264, 2001
16902001
Convergence of an improved CIPSI algorithm
S Evangelisti, JP Daudey, JP Malrieu
Chemical Physics 75 (1), 91-102, 1983
4941983
Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy
D Maynau, S Evangelisti, N Guihéry, CJ Calzado, JP Malrieu
The Journal of chemical physics 116 (23), 10060-10068, 2002
1342002
A vector and parallel full configuration interaction algorithm
GL Bendazzoli, S Evangelisti
The Journal of chemical physics 98 (4), 3141-3150, 1993
1221993
Qualitative intruder-state problems in effective Hamiltonian theory and their solution through intermediate Hamiltonians
S Evangelisti, JP Daudey, JP Malrieu
Physical Review A 35 (12), 4930, 1987
1091987
A theoretical study of the nitrogen clusters formed from the ions and
L Gagliardi, G Orlandi, S Evangelisti, BO Roos
The Journal of Chemical Physics 114 (24), 10733-10737, 2001
882001
A full-configuration benchmark for the N2 molecule
E Rossi, GL Bendazzoli, S Evangelisti, D Maynau
Chemical physics letters 310 (5-6), 530-536, 1999
791999
Dissociation reaction of N8 azapentalene to 4N2: A theoretical study
L Gagliardi, S Evangelisti, A Bernhardsson, R Lindh, BO Roos
International Journal of Quantum Chemistry 77 (1), 311-315, 2000
742000
A novel perturbation-based complete active space–self-consistent-field algorithm: Application to the direct calculation of localized orbitals
C Angeli, S Evangelisti, R Cimiraglia, D Maynau
The Journal of chemical physics 117 (23), 10525-10533, 2002
732002
3, 5-Bis (ethynyl) pyridine and 2, 6-bis (ethynyl) pyridine spanning two Fe (Cp*)(dppe) units: role of the nitrogen atom on the electronic and magnetic couplings
K Costuas, O Cador, F Justaud, S Le Stang, F Paul, A Monari, ...
Inorganic Chemistry 50 (24), 12601-12622, 2011
712011
A theoretical study of the N8 cubane to N8 pentalene isomerization reaction
L Gagliardi, S Evangelisti, PO Widmark, BČO Roos
Theoretical Chemistry Accounts 97, 136-142, 1997
711997
Full configuration interaction calculations on Be2
S Evangelisti, GL Bendazzoli, L Gagliardi
Chemical physics 185 (1), 47-56, 1994
711994
Beryllium dimer: A bond based on non-dynamical correlation
M El Khatib, GL Bendazzoli, S Evangelisti, W Helal, T Leininger, L Tenti, ...
The Journal of Physical Chemistry A 118 (33), 6664-6673, 2014
612014
Local orbitals for the truncation of inactive space: Application to magnetic systems
CJ Calzado, S Evangelisti, D Maynau
The Journal of Physical Chemistry A 107 (38), 7581-7588, 2003
602003
Exact entanglement entropy of the XYZ model and its sine-Gordon limit
E Ercolessi, S Evangelisti, F Ravanini
Physics Letters A 374 (21), 2101-2105, 2010
582010
A theoretical study of ten N8 isomers
L Gagliard, S Evangelisti, BO Roos, PO Widmark
Journal of Molecular Structure: THEOCHEM 428 (1-3), 1-8, 1998
501998
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory
S Battaglia, N Faginas-Lago, D Andrae, S Evangelisti, T Leininger
The Journal of Physical Chemistry A 121 (19), 3746-3756, 2017
472017
On the Dissociation of N6 into 3 N2 Molecules
L Gagliardi, S Evangelisti, V Barone, BO Roos
Chemical Physics Letters 320 (5-6), 518-522, 2000
472000
Full configuration interaction study of the metal-insulator transition in model systems: LiN linear chains (N= 2, 4, 6, 8)
V Vetere, A Monari, GL Bendazzoli, S Evangelisti, B Paulus
The Journal of chemical physics 128 (2), 2008
442008
A one billion determinant full CI benchmark on the Cray T3D
S Evangelisti, GL Bendazzoli, R Ansaloni, F Durě, E Rossi
Chemical physics letters 252 (5-6), 437-446, 1996
431996
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