Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 702 | 2021 |
Directly probing anisotropy in atom–molecule collisions through quantum scattering resonances A Klein, Y Shagam, W Skomorowski, PS Żuchowski, M Pawlak, ... Nature Physics 13 (1), 35-38, 2017 | 139 | 2017 |
Precise study of asymptotic physics with subradiant ultracold molecules BH McGuyer, M McDonald, GZ Iwata, MG Tarallo, W Skomorowski, ... Nature Physics 11 (1), 32-36, 2015 | 126 | 2015 |
Molecular hydrogen interacts more strongly when rotationally excited at low temperatures leading to faster reactions Y Shagam, A Klein, W Skomorowski, R Yun, V Averbukh, CP Koch, ... Nature chemistry 7 (11), 921-926, 2015 | 108 | 2015 |
Coherent control of bond making L Levin, W Skomorowski, L Rybak, R Kosloff, CP Koch, Z Amitay Physical review letters 114 (23), 233003, 2015 | 96 | 2015 |
Sympathetic cooling of the Ba ion by collisions with ultracold Rb atoms: Theoretical prospects M Krych, W Skomorowski, F Pawłowski, R Moszynski, Z Idziaszek Physical Review A—Atomic, Molecular, and Optical Physics 83 (3), 032723, 2011 | 86* | 2011 |
Interatomic potentials, electric properties and spectroscopy of the ground and excited states of the Rb2 molecule: ab initio calculations and effect of a non-resonant … M Tomza, W Skomorowski, M Musiał, R González-Férez, CP Koch, ... Molecular Physics 111 (12-13), 1781-1797, 2013 | 78* | 2013 |
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 | 75* | 2012 |
Nonadiabatic effects in ultracold molecules via anomalous linear and quadratic Zeeman shifts BH McGuyer, CB Osborn, M McDonald, G Reinaudi, W Skomorowski, ... Physical Review Letters 111 (24), 243003, 2013 | 49 | 2013 |
Prospects for sympathetic cooling of molecules in electrostatic, ac and microwave traps SK Tokunaga, W Skomorowski, PS Żuchowski, R Moszynski, JM Hutson, ... The European Physical Journal D 65, 141-149, 2011 | 49 | 2011 |
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 |
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 |
Feshbach–Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. I. Theory and implementation W Skomorowski, AI Krylov The Journal of Chemical Physics 154 (8), 2021 | 35 | 2021 |
Bound and continuum-embedded states of cyanopolyyne anions W Skomorowski, S Gulania, AI Krylov Physical Chemistry Chemical Physics 20 (7), 4805-4817, 2018 | 33 | 2018 |
Formation of deeply bound ultracold Sr molecules by photoassociation near the intercombination line W Skomorowski, R Moszynski, CP Koch Physical Review A—Atomic, Molecular, and Optical Physics 85 (4), 043414, 2012 | 33 | 2012 |
Control of optical transitions with magnetic fields in weakly bound molecules BH McGuyer, M McDonald, GZ Iwata, W Skomorowski, R Moszynski, ... Physical Review Letters 115 (5), 053001, 2015 | 29 | 2015 |
Feshbach–Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. II. Numerical examples and benchmarks W Skomorowski, AI Krylov The Journal of Chemical Physics 154 (8), 2021 | 25 | 2021 |
Real and imaginary excitons: Making sense of resonance wave functions by using reduced state and transition density matrices W Skomorowski, AI Krylov The Journal of Physical Chemistry Letters 9 (14), 4101-4108, 2018 | 23 | 2018 |
Electronic circular dichroism of disulphide bridge: Ab initio quantum-chemical calculations W Skomorowski, M Pecul, P Sałek, T Helgaker The Journal of chemical physics 127 (8), 2007 | 20 | 2007 |
Predissociation dynamics of lithium iodide H Schmidt, J Von Vangerow, F Stienkemeier, AS Bogomolov, ... The Journal of Chemical Physics 142 (4), 2015 | 15 | 2015 |