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 | 929 | 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 | 484 | 2012 |
DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 290 | 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 | 219 | 1994 |
Computational strategies for spectroscopy: from small molecules to nano systems V Barone John Wiley & Sons, 2011 | 185 | 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 | 165 | 2005 |
The equilibrium structure of ferrocene S Coriani, A Haaland, T Helgaker, P Jorgensen ChemPhysChem 7 (1), 245-249, 2006 | 156 | 2006 |
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 | 155 | 2014 |
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 | 140 | 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 | 123 | 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 | 117 | 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 | 113 | 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 | 102 | 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 | 95 | 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 | 93 | 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 | 89 | 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 | 88 | 2017 |
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 | 82 | 2000 |
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 | 80 | 2020 |
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 | 79 | 2004 |