Sonia Coriani
Titolo
Citata da
Citata da
Anno
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
8312014
Recent advances in wave function-based methods of molecular-property calculations
T Helgaker, S Coriani, P Jørgensen, K Kristensen, J Olsen, K Ruud
Chemical reviews 112 (1), 543-631, 2012
4422012
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
2882001
On CHF calculations of second-order magnetic properties using the method of continuous transformation of origin of the current density
S Coriani, P Lazzeretti, M Malagoli, R Zanasi
Theoretica chimica acta 89 (2-3), 181-192, 1994
2131994
Computational strategies for spectroscopy: from small molecules to nano systems
V Barone
John Wiley & Sons, 2011
1672011
The equilibrium structure of ferrocene
S Coriani, A Haaland, T Helgaker, P Jorgensen
ChemPhysChem 7 (1), 245-249, 2006
1492006
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
1392014
The accuracy of ab initio molecular geometries for systems containing second-row atoms
S Coriani, D Marchesan, J Gauss, C Hättig, T Helgaker, P Jørgensen
The Journal of chemical physics 123 (18), 184107, 2005
1222005
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules
S Coriani, O Christiansen, T Fransson, P Norman
Physical Review A 85 (2), 022507, 2012
1212012
A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation-and time-dependent basis sets
AJ Thorvaldsen, K Ruud, K Kristensen, P Jørgensen, S Coriani
The Journal of chemical physics 129 (21), 214108, 2008
1122008
Asymmetric-Lanczos-chain-driven implementation of electronic resonance convergent coupled-cluster linear response theory
S Coriani, T Fransson, O Christiansen, P Norman
Journal of Chemical Theory and Computation 8 (5), 1616-1628, 2012
932012
Linear-scaling implementation of molecular electronic self-consistent field theory
P Sałek, S Høst, L Thøgersen, P Jørgensen, P Manninen, J Olsen, ...
The Journal of chemical physics 126 (11), 114110, 2007
932007
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory
S Coriani, S Høst, B Jansík, L Thøgersen, J Olsen, P Jørgensen, S Reine, ...
The Journal of chemical physics 126 (15), 154108, 2007
902007
Accurate calculation and modeling of the adiabatic connection in density functional theory
AM Teale, S Coriani, T Helgaker
The Journal of chemical physics 132 (16), 164115, 2010
862010
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
S Coriani, H Koch
The Journal of chemical physics 143 (18), 181103, 2015
832015
On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2
S Coriani, A Halkier, A Rizzo, K Ruud
Chemical Physics Letters 326 (3-4), 269-276, 2000
812000
The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems
AM Teale, S Coriani, T Helgaker
The Journal of chemical physics 130 (10), 104111, 2009
732009
Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon
J López Cacheiro, B Fernández, D Marchesan, S Coriani, C Hättig, ...
Molecular Physics 102 (1), 101-110, 2004
732004
Ab initio determinations of magnetic circular dichroism
S Coriani, P Jørgensen, A Rizzo, K Ruud, J Olsen
Chemical physics letters 300 (1-2), 61-68, 1999
701999
A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD (T) gradients
K Hald, A Halkier, P Jørgensen, S Coriani, C Hättig, T Helgaker
The Journal of chemical physics 118 (7), 2985-2998, 2003
692003
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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