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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
13272001
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
11152014
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
8682002
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
6622001
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
2662004
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
2562007
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
1902014
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
1721983
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
1682006
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
1451987
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
1281985
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 (1968-1987) 18 (15), 3073, 1985
1261985
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
912008
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
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
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
681983
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
672002
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
671994
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 (5), 313-317, 2002
622002
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
621997
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