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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
14772014
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
9302020
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
8552021
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
7152012
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
3512001
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
2421994
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
2312015
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
1972019
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
1972017
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—Atomic, Molecular, and Optical Physics 85 (2), 022507, 2012
1872012
The equilibrium structure of ferrocene
S Coriani, A Haaland, T Helgaker, P Jørgensen
ChemPhysChem 7 (1), 245-249, 2006
1862006
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
1582005
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
1332012
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
1332008
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 19 (20), 6933-6991, 2023
1202023
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
1172010
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
SD Folkestad, EF Kjønstad, RH Myhre, JH Andersen, A Balbi, S Coriani, ...
The Journal of Chemical Physics 152 (18), 2020
1112020
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
1102007
TURBOMOLE: Today and tomorrow
YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ...
Journal of chemical theory and computation 19 (20), 6859-6890, 2023
1022023
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
992007
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