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Renzo Cimiraglia
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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
14222001
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
11902014
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
9262002
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
7032001
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
2912004
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
2672007
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
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
1772006
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects
R Bonaccorsi, R Cimiraglia, J Tomasi
Journal of computational chemistry 4 (4), 567-577, 1983
1751983
Recent advances in multireference second order perturbation CI: The CIPSI method revisited
R Cimiraglia, M Persico
Journal of computational chemistry 8 (1), 39-47, 1987
1461987
Second order perturbation correction to CI energies by use of diagrammatic techniques: An improvement to the CIPSI algorithm
R Cimiraglia
The Journal of chemical physics 83 (4), 1746-1749, 1985
1301985
Quasi-diabatic states and dynamical couplings from ab initio CI calculations: a new proposal
R Cimiraglia, JP Malrieu, M Persico, F Spiegelmann
Journal of Physics B: Atomic and Molecular Physics 18 (15), 3073, 1985
1271985
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
Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for Be 2, Mg 2, and Ca 2
E Fromager, R Cimiraglia, HJA Jensen
Physical Review A 81 (2), 024502, 2010
702010
On the free energy changes of a solution in light absorption or emission processes
R Bonaccorsi, R Cimiraglia, J Tomasi
Chemical Physics Letters 99 (1), 77-82, 1983
701983
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
692005
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
692002
Rotation and inversion states in thermal E/Z isomerization of aromatic azo compounds
R Cimiraglia, HJ Hofmann
Chemical physics letters 217 (4), 430-435, 1994
681994
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
662002
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
63
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