| Coupled-cluster techniques for computational chemistry: The CFOUR program package DA Matthews, L Cheng, ME Harding, F Lipparini, S Stopkowicz, TC Jagau, ... The Journal of Chemical Physics 152 (21), 2020 | 492 | 2020 |
| the integral packages MOLECULE (Almlöf, J.; Taylor, PR), PROPS (Taylor, PR), ABACUS (Helgaker, T.; Jensen, HJ Aa.; Jørgensen, P.; Olsen, J.), and ECP routines by Mitin, AV; van … RJ Bartlett, U Benedikt, C Berger, DE Bernholdt, YJ Bomble, ... For the current version, see http://www. cfour. de, 2015 | 139* | 2015 |
| Current density functional theory using meta-generalized gradient exchange-correlation functionals JW Furness, J Verbeke, EI Tellgren, S Stopkowicz, U Ekström, ... Journal of chemical theory and computation 11 (9), 4169-4181, 2015 | 91 | 2015 |
| Coupled-cluster theory for atoms and molecules in strong magnetic fields S Stopkowicz, J Gauss, KK Lange, EI Tellgren, T Helgaker The Journal of Chemical Physics 143 (7), 2015 | 89 | 2015 |
| Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations E Epifanovsky, K Klein, S Stopkowicz, J Gauss, AI Krylov The Journal of chemical physics 143 (6), 2015 | 88 | 2015 |
| Relativistic corrections to electrical first-order properties using direct perturbation theory S Stopkowicz, J Gauss The Journal of chemical physics 129 (16), 2008 | 55 | 2008 |
| Equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields F Hampe, S Stopkowicz The Journal of Chemical Physics 146 (15), 2017 | 54 | 2017 |
| The importance of current contributions to shielding constants in density-functional theory S Reimann, U Ekström, S Stopkowicz, AM Teale, A Borgoo, T Helgaker Physical Chemistry Chemical Physics 17 (28), 18834-18842, 2015 | 47 | 2015 |
| Analytic energy derivatives in relativistic quantum chemistry L Cheng, S Stopkowicz, J Gauss International Journal of Quantum Chemistry 114 (17), 1108-1127, 2014 | 44 | 2014 |
| CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package with the integral packages MOLECULE (J. Almlöf and PR Taylor), PROPS (PR Taylor) JF Stanton, J Gauss, ME Harding, PG Szalay, AA Auer, RJ Bartlett, ... For the current version, see http://www. cfour. de, 2014 | 38* | 2014 |
| The hyperfine structure in the rotational spectra of bromofluoromethane: Lamb-dip technique and quantum-chemical calculations G Cazzoli, C Puzzarini, S Stopkowicz, J Gauss Molecular Physics 106 (9-10), 1181-1192, 2008 | 35 | 2008 |
| Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory S Stopkowicz, J Gauss The Journal of chemical physics 134 (20), 2011 | 33 | 2011 |
| Transition-dipole moments for electronic excitations in strong magnetic fields using equation-of-motion and linear response coupled-cluster theory F Hampe, S Stopkowicz Journal of Chemical Theory and Computation 15 (7), 4036-4043, 2019 | 31 | 2019 |
| GW quasiparticle energies of atoms in strong magnetic fields C Holzer, AM Teale, F Hampe, S Stopkowicz, T Helgaker, W Klopper The Journal of Chemical Physics 150 (21), 2019 | 30 | 2019 |
| Kohn–Sham energy decomposition for molecules in a magnetic field S Reimann, A Borgoo, J Austad, EI Tellgren, AM Teale, T Helgaker, ... Molecular Physics 117 (1), 97-109, 2019 | 30 | 2019 |
| Rotational spectra of rare isotopic species of fluoroiodomethane: Determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations C Puzzarini, G Cazzoli, JC López, JL Alonso, A Baldacci, A Baldan, ... The Journal of Chemical Physics 137 (2), 2012 | 28 | 2012 |
| Direct perturbation theory in terms of energy derivatives: Fourth-order relativistic corrections at the Hartree–Fock level S Stopkowicz, J Gauss The Journal of chemical physics 134 (6), 2011 | 27 | 2011 |
| Microwave, High-Resolution Infrared, and Quantum Chemical Investigations of CHBrF2: Ground and v4 = 1 States G Cazzoli, L Cludi, C Puzzarini, P Stoppa, AP Charmet, N Tasinato, ... The Journal of Physical Chemistry A 115 (4), 453-459, 2011 | 27 | 2011 |
| Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields F Hampe, N Gross, S Stopkowicz Physical Chemistry Chemical Physics 22 (41), 23522-23529, 2020 | 25 | 2020 |
| Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations C Puzzarini, G Cazzoli, JC López, JL Alonso, A Baldacci, A Baldan, ... The Journal of chemical physics 134 (17), 2011 | 25 | 2011 |
