ORBKIT: A modular python toolbox for cross‐platform postprocessing of quantum chemical wavefunction data G Hermann, V Pohl, JC Tremblay, B Paulus, HC Hege, A Schild Journal of Computational Chemistry 37 (16), 1511-1520, 2016 | 89 | 2016 |
Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene D Jia, J Manz, B Paulus, V Pohl, JC Tremblay, Y Yang Chemical Physics 482, 146-159, 2017 | 56 | 2017 |
Multidirectional angular electronic flux during adiabatic attosecond charge migration in excited benzene G Hermann, CM Liu, J Manz, B Paulus, JF Perez-Torres, V Pohl, ... The Journal of Physical Chemistry A 120 (27), 5360-5369, 2016 | 52 | 2016 |
An open‐source framework for analyzing N‐electron dynamics. I. Multideterminantal wave functions V Pohl, G Hermann, JC Tremblay Journal of Computational Chemistry 38 (17), 1515-1527, 2017 | 41 | 2017 |
An open‐source framework for analyzing N‐electron dynamics. II. Hybrid density functional theory/configuration interaction methodology G Hermann, V Pohl, JC Tremblay Journal of Computational Chemistry 38 (28), 2378-2387, 2017 | 36 | 2017 |
Computation of the Electronic Flux Density in the Born–Oppenheimer Approximation DJ Diestler, A Kenfack, J Manz, B Paulus, JF Pérez-Torres, V Pohl The Journal of Physical Chemistry A 117 (36), 8519-8527, 2013 | 34 | 2013 |
Probing electronic fluxes via time-resolved X-ray scattering G Hermann, V Pohl, G Dixit, JC Tremblay Physical review letters 124 (1), 013002, 2020 | 31 | 2020 |
Electronic and nuclear flux densities in the H 2 molecule G Hermann, B Paulus, JF Pérez-Torres, V Pohl Physical Review A 89 (5), 052504, 2014 | 27 | 2014 |
Adiabatic electronic flux density: A Born-Oppenheimer broken-symmetry ansatz V Pohl, JC Tremblay Physical Review A 93 (1), 012504, 2016 | 21 | 2016 |
Imaging Time-Dependent Electronic Currents through a Graphene-Based Nanojunction V Pohl, LE Marsoner Steinkasserer, JC Tremblay The Journal of Physical Chemistry Letters 10 (18), 5387-5394, 2019 | 19 | 2019 |
Attosecond angular flux of partial charges on the carbon atoms of benzene in non-aromatic excited state G Hermann, CM Liu, J Manz, B Paulus, V Pohl, JC Tremblay Chemical Physics Letters 683, 553-558, 2017 | 19 | 2017 |
Electronic current mapping of transport through defective zigzag graphene nanoribbons J Shao, V Pohl, LE Marsoner Steinkasserer, B Paulus, JC Tremblay The Journal of Physical Chemistry C 124 (43), 23479-23489, 2020 | 9 | 2020 |
Electron symmetry breaking during attosecond charge migration induced by laser pulses: Point group analyses for quantum dynamics D Haase, G Hermann, J Manz, V Pohl, JC Tremblay Symmetry 13 (2), 205, 2021 | 8 | 2021 |
Time-resolved imaging of correlation-driven charge migration in light-induced molecular magnets by X-ray scattering JC Tremblay, V Pohl, G Hermann, G Dixit Faraday Discussions 228, 82-103, 2021 | 5 | 2021 |
Field-Induced Conformational Change in a Single-Molecule-Graphene–Nanoribbon Junction: Effect of Vibrational Energy Redistribution V Pohl, JC Tremblay The Journal of Physical Chemistry C 120 (50), 28808-28819, 2016 | 5 | 2016 |
Cyanographone and isocyanographone—Two asymmetrically functionalized graphene pseudohalides and their potential use in chemical sensing LE Marsoner Steinkasserer, V Pohl, B Paulus The Journal of chemical physics 148 (8), 084703, 2018 | 2 | 2018 |
Imaging Electronic Fluxes via Time-Resolved X-Ray Scattering G Dixit, JC Tremblay, G Hermann, V Pohl Bulletin of the American Physical Society 66, 2021 | | 2021 |
Electronic Motion in Molecular Systems: From the Hydrogen Molecular Ion to Nanostructures V Pohl | | 2017 |