| 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 | 1485 | 2014 |
| Arbitrary-order density functional response theory from automatic differentiation U Ekström, L Visscher, R Bast, AJ Thorvaldsen, K Ruud Journal of chemical theory and computation 6 (7), 1971-1980, 2010 | 249 | 2010 |
| 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 | 222 | 2014 |
| 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 | 134 | 2008 |
| Theoretical approaches to the calculation of Raman optical activity spectra K Ruud, AJ Thorvaldsen Chirality: The Pharmacological, Biological, and Chemical Consequences of …, 2009 | 111 | 2009 |
| The ab initio calculation of molecular electric, magnetic and geometric properties R Bast, U Ekström, B Gao, T Helgaker, K Ruud, AJ Thorvaldsen Physical Chemistry Chemical Physics 13 (7), 2627-2651, 2011 | 77 | 2011 |
| GEN1INT: A unified procedure for the evaluation of one‐electron integrals over Gaussian basis functions and their geometric derivatives B Gao, AJ Thorvaldsen, K Ruud International Journal of Quantum Chemistry 111 (4), 858-872, 2011 | 56 | 2011 |
| Damped response theory description of two-photon absorption K Kristensen, J Kauczor, AJ Thorvaldsen, P Jørgensen, T Kjærgaard, ... The Journal of chemical physics 134 (21), 2011 | 51 | 2011 |
| Analytic cubic and quartic force fields using density-functional theory M Ringholm, D Jonsson, R Bast, B Gao, AJ Thorvaldsen, U Ekström, ... The Journal of Chemical Physics 140 (3), 2014 | 50 | 2014 |
| Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies K Kristensen, P Jørgensen, AJ Thorvaldsen, T Helgaker The Journal of chemical physics 129 (21), 2008 | 47 | 2008 |
| Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree− Fock and Kohn− Sham Response Theories T Kjaergaard, P Jørgensen, AJ Thorvaldsen, P Sałek, S Coriani Journal of Chemical Theory and Computation 5 (8), 1997-2020, 2009 | 43 | 2009 |
| Analytic calculations of vibrational hyperpolarizabilities in the atomic orbital basis AJ Thorvaldsen, K Ruud, M Jaszuński The Journal of Physical Chemistry A 112 (46), 11942-11950, 2008 | 33 | 2008 |
| DIRAC, a relativistic ab initio electronic structure program, Release DIRAC12 HJA Jensen, R Bast, T Saue, L Visscher, V Bakken, KG Dyall, S Dubillard, ... University of Southern Denmark, 2012 | 28 | 2012 |
| DIRAC, a relativistic ab initio electronic structure program, Release DIRAC15 R Bast, T Saue, L Visscher, HJA Jensen, V Bakken, KG Dyall, S Dubillard, ... | 25 | 2012 |
| Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models R Bast, AJ Thorvaldsen, M Ringholm, K Ruud Chemical Physics 356 (1-3), 177-186, 2009 | 24 | 2009 |
| Comparison of standard and damped response formulations of magnetic circular dichroism T Kjærgaard, K Kristensen, J Kauczor, P Jørgensen, S Coriani, ... The Journal of chemical physics 135 (2), 2011 | 23 | 2011 |
| Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS) AJ Thorvaldsen, L Ferrighi, K Ruud, H Ågren, S Coriani, P Jørgensen Physical Chemistry Chemical Physics 11 (13), 2293-2304, 2009 | 22 | 2009 |
| Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton–Mouton constants using London atomic orbitals AJ Thorvaldsen, K Ruud, A Rizzo, S Coriani The Journal of chemical physics 129 (16), 2008 | 22 | 2008 |
| Efficient calculation of ROA tensors with analytical gradients and fragmentation AJ Thorvaldsen, BIN Gao, K Ruud, M Fedorovsky, G Zuber, W Hug Chirality 24 (12), 1018-1030, 2012 | 20 | 2012 |
| The aqueous Raman optical activity spectra of 4(R)‐hydroxyproline: theory and experiment M Pecul, C Deillon, AJ Thorvaldsen, K Ruud Journal of Raman Spectroscopy 41 (10), 1200-1210, 2010 | 20 | 2010 |
