| 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 | 1889 | 2001 |
| 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 | 1492 | 2014 |
| 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 | 1187 | 2002 |
| 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 | 911 | 2001 |
| 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 | 868* | 2019 |
| 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 | 376 | 2004 |
| New perspectives in multireference perturbation theory: the n-electron valence state approach C Angeli, M Pastore, R Cimiraglia Theoretical Chemistry Accounts 117, 743-754, 2007 | 305 | 2007 |
| 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 | 224 | 2014 |
| 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 | 207 | 2014 |
| 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 | 200 | 2006 |
| 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 | 164 | 2012 |
| 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 | 136 | 2009 |
| 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 | 133 | 2009 |
| 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 | 125 | 2017 |
| 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 | 98 | 2013 |
| 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 | 97 | 2004 |
| 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 | 96 | 2008 |
| 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 | 86 | 2002 |
| 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 | 80 | 2002 |
| 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 | 75 | 2007 |
Mariachiara PastoreLaboratoire de Physique et Chimie Theoriques (LPCT), Université de Lorraine & CNRSVerified email at univ-lorraine.fr
