| 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 | 1426 | 2014 |
| Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants F Pawłowski, P Jørgensen, J Olsen, F Hegelund, T Helgaker, J Gauss, ... The Journal of chemical physics 116 (15), 6482-6496, 2002 | 274 | 2002 |
| Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory MJ Paterson, O Christiansen, F Pawłowski, P Jørgensen, C Hättig, ... The Journal of chemical physics 124 (5), 2006 | 149 | 2006 |
| Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution J Kongsted, TB Pedersen, M Strange, A Osted, AE Hansen, KV Mikkelsen, ... Chemical physics letters 401 (4-6), 385-392, 2005 | 113 | 2005 |
| 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 | 109 | 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), 2007 | 99 | 2007 |
| Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations F Pawłowski, A Halkier, P Jørgensen, KL Bak, T Helgaker, W Klopper The Journal of chemical physics 118 (6), 2539-2549, 2003 | 84 | 2003 |
| Rovibrational dynamics of the strontium molecule in the A^ 1\Sigma_u^+, c^ 3\Pi_u, and a^ 3\Sigma_u^+ manifold from state-of-the-art ab initio calculations W Skomorowski, F Pawlowski, CP Koch, R Moszynski arXiv preprint arXiv:1203.4524, 2012 | 74 | 2012 |
| Calculation of frequency-dependent polarizabilities using the approximate coupled-cluster triples model CC3 K Hald, F Pawłowski, P Jørgensen, C Hättig The Journal of chemical physics 118 (3), 1292-1300, 2003 | 71 | 2003 |
| Valence electronic structure of Ti, Cr, Fe and Co in some alloys from Kβ-to-Kα X-ray intensity ratio studies F Pawłowski, M Polasik, S Raj, HC Padhi, DK Basa Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2002 | 67 | 2002 |
| High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional results M Pecul, F Pawłowski, P Jørgensen, A Köhn, C Hättig The Journal of chemical physics 124 (11), 2006 | 52 | 2006 |
| Excited state potential energy surfaces of polyenes and protonated Schiff bases R Send, D Sundholm, MP Johansson, F Pawłowski Journal of Chemical Theory and Computation 5 (9), 2401-2414, 2009 | 46 | 2009 |
| K beta-to-K alpha X-ray intensity ratio studies on the changes of valence electronic structures of Ti, V, Cr, and Co in their disilicide compounds S Raj, HC Padhi, DK Basa, M Polasik, F Pawlowski NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM …, 1999 | 46 | 1999 |
| Relative K x-ray intensity studies of the valence electronic structure of 3d transition metals S Raj, HC Padhi, P Palit, DK Basa, M Polasik, F Pawlowski physical review b 65 (19), 193105, 2002 | 45 | 2002 |
| Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations W Skomorowski, F Pawłowski, T Korona, R Moszynski, PS Żuchowski, ... The Journal of Chemical Physics 134 (11), 2011 | 44 | 2011 |
| Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond IR Ariyarathna, SN Khan, F Pawłowski, JV Ortiz, E Miliordos The Journal of Physical Chemistry Letters 9 (1), 84-88, 2018 | 43 | 2018 |
| Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects M Tomza, F Pawłowski, M Jeziorska, CP Koch, R Moszynski Physical Chemistry Chemical Physics 13 (42), 18893-18904, 2011 | 42 | 2011 |
| K β− t o− K α x-ray intensity ratio studies of the valence electronic structure of Fe and Ni in Fe x Ni 1− x alloys S Raj, HC Padhi, M Polasik, F Pawłowski, DK Basa Physical Review B 63 (7), 073109, 2001 | 42 | 2001 |
| Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random phase wavefunctions S Amaran, R Kosloff, M Tomza, W Skomorowski, F Pawłowski, ... The Journal of Chemical Physics 139 (16), 2013 | 39 | 2013 |
| The hyperpolarizability of the Ne atom in the approximate coupled cluster triples model CC3 F Pawłowski, P Jørgensen, C Hättig Chemical physics letters 391 (1-3), 27-32, 2004 | 39 | 2004 |
Jeppe OlsenVerified email at chem.au.dk
