Celestino Angeli
Celestino Angeli
Associate Professor, University of Ferrara
Email verificata su unife.it
TitoloCitata daAnno
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
8302001
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
7432014
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
5602002
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
3902001
New perspectives in multireference perturbation theory: the n-electron valence state approach
C Angeli, M Pastore, R Cimiraglia
Theoretical Chemistry Accounts 117 (5-6), 743-754, 2007
1992007
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
1802004
Third-order multireference perturbation theory: The -electron valence state perturbation-theory approach
C Angeli, B Bories, A Cavallini, R Cimiraglia
The Journal of chemical physics 124 (5), 054108, 2006
1262006
Wiley Interdiscip
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Rev.: Comput. Mol. Sci 4 (3), 269-284, 2014
1252014
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
1122012
Dalton, a molecular electronic structure program
H Agren, DJ Wilson, O Vahtras, PR Taylor, KO Sylvester-Hvid, ...
see http://www. kjemi. uio. no/software/dalton/dalton. html: University of Oslo,, 2005
1022005
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), 044327, 2009
992009
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 Ferré, ...
Journal of chemical theory and computation 10 (8), 3074-3084, 2014
952014
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
852008
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
832009
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
662013
Multireference perturbation CI II. Selection of the zero-order space
C Angeli, M Persico
Theoretical Chemistry Accounts 98 (2-3), 117-128, 1997
621997
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
612004
Multireference perturbation CI I. Extrapolation procedures with CAS or selected zero-order spaces
C Angeli, R Cimiraglia, M Persico, A Toniolo
Theoretical Chemistry Accounts 98 (1), 57-63, 1997
601997
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
592002
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
562007
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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