Sonia Coriani
Citata da
Citata da
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
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
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
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), 181-192, 1994
Computational strategies for spectroscopy: from small molecules to nano systems
V Barone
John Wiley & Sons, 2011
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
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
The equilibrium structure of ferrocene
S Coriani, A Haaland, T Helgaker, P Jorgensen
ChemPhysChem 7 (1), 245-249, 2006
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
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
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
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
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
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
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
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
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
TJA Wolf, RH Myhre, JP Cryan, S Coriani, RJ Squibb, A Battistoni, ...
Nature communications 8 (1), 1-7, 2017
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 184107, 2020
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
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
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