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Filip Pawlowski
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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
13622014
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
2722002
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
1492006
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
1122005
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
1062007
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
1002007
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
832003
Rovibrational dynamics of the strontium molecule in the , c3Πu, and manifold from state-of-the-art ab initio calculations
W Skomorowski, F Pawłowski, CP Koch, R Moszynski
The Journal of Chemical Physics 136 (19), 194306, 2012
742012
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
702003
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
672002
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
65
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
562006
M.; de Merás
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
AS, 0
46
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
452009
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
451999
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
432002
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
422011
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
412011
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
412001
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
402018
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