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Sonia Coriani
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The Dalton 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
13632014
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), 2020
7142020
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
6732012
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
5892021
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
3522001
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, 181-192, 1994
2371994
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), 2015
2012015
The equilibrium structure of ferrocene
S Coriani, A Haaland, T Helgaker, P Jørgensen
ChemPhysChem 7 (1), 245-249, 2006
1802006
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
1762012
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), 29, 2017
1622017
New and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states
ML Vidal, X Feng, E Epifanovsky, AI Krylov, S Coriani
Journal of Chemical Theory and Computation 15 (5), 3117-3133, 2019
1612019
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), 2005
1542005
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), 2008
1292008
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
1282012
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), 2010
1112010
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), 2007
1062007
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), 2007
1002007
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
892004
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
892000
Optical rotation calculation of a highly flexible molecule: the case of paraconic acid
D Marchesan, S Coriani, C Forzato, P Nitti, G Pitacco, K Ruud
The Journal of Physical Chemistry A 109 (7), 1449-1453, 2005
882005
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