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Celestino Angeli
Celestino Angeli
Associate Professor, University of Ferrara
Adresă de e-mail confirmată pe unife.it
Titlu
Citat de
Citat de
Anul
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
18952001
The D alton quantum chemistry program system
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014
15092014
n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants
C Angeli, R Cimiraglia, JP Malrieu
The Journal of chemical physics 117 (20), 9138-9153, 2002
11862002
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
C Angeli, R Cimiraglia, JP Malrieu
Chemical physics letters 350 (3-4), 297-305, 2001
9162001
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
8762019
A quasidegenerate formulation of the second order -electron valence state perturbation theory approach
C Angeli, S Borini, M Cestari, R Cimiraglia
The Journal of chemical physics 121 (9), 4043-4049, 2004
3782004
New perspectives in multireference perturbation theory: the n-electron valence state approach
C Angeli, M Pastore, R Cimiraglia
Theoretical Chemistry Accounts 117 (5), 743-754, 2007
3052007
Место установки программы:/opt/lib/dalton/Книги и статьи:• Aidas K., Angeli C., Bak KL The Dalton quantum chemistry program system.//Wires computational molecular science, 2014 …
K Aidas
science 4 (3), 269-284, 2014
2262014
Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection
S Gozem, F Melaccio, A Valentini, M Filatov, M Huix-Rotllant, N Ferre, ...
Journal of chemical theory and computation 10 (8), 3074-3084, 2014
2122014
Third-order multireference perturbation theory: The n-electron valence state perturbation-theory approach
C Angeli, B Bories, A Cavallini, R Cimiraglia
The Journal of chemical physics 124 (5), 2006
2022006
Dynamic electron correlation effects on the ground state potential energy surface of a retinal chromophore model
S Gozem, M Huntress, I Schapiro, R Lindh, AA Granovsky, C Angeli, ...
Journal of chemical theory and computation 8 (11), 4069-4080, 2012
1652012
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited
CJ Calzado, C Angeli, D Taratiel, R Caballol, JP Malrieu
The Journal of chemical physics 131 (4), 2009
1352009
On the nature of the π→ π* ionic excited states: The V state of ethene as a prototype
C Angeli
Journal of Computational Chemistry 30 (8), 1319-1333, 2009
1322009
Multireference perturbation theory with cholesky decomposition for the density matrix renormalization group
L Freitag, S Knecht, C Angeli, M Reiher
Journal of chemical theory and computation 13 (2), 451-459, 2017
1272017
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond
C Angeli, E Leonardi
International journal of heat and mass transfer 47 (1), 1-10, 2004
992004
Mapping the excited state potential energy surface of a retinal chromophore model with multireference and equation-of-motion coupled-cluster methods
S Gozem, F Melaccio, R Lindh, AI Krylov, AA Granovsky, C Angeli, ...
Journal of Chemical Theory and Computation 9 (10), 4495-4506, 2013
972013
On the applicability of multireference second‐order perturbation theory to study weak magnetic coupling in molecular complexes
N Queralt, D Taratiel, C De Graaf, R Caballol, R Cimiraglia, C Angeli
Journal of computational chemistry 29 (6), 994-1003, 2008
942008
Multireference perturbation configuration interaction V. Third-order energy contributions in the Møller–Plesset and Epstein–Nesbet partitions
C Angeli, R Cimiraglia
Theoretical Chemistry Accounts 107, 313-317, 2002
872002
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
792002
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view
JP Malrieu, N Guihéry, CJ Calzado, C Angeli
Journal of computational chemistry 28 (1), 35-50, 2007
742007
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