| Singlet fission rate: Optimized packing of a molecular pair. Ethylene as a model A Zaykov, P Felkel, EA Buchanan, M Jovanovic, RWA Havenith, RK Kathir, ... Journal of the American Chemical Society 141 (44), 17729-17743, 2019 | 50 | 2019 |
| Reduced common molecular orbital basis for nonorthogonal configuration interaction RK Kathir, C de Graaf, R Broer, RWA Havenith Journal of Chemical Theory and Computation 16 (5), 2941-2951, 2020 | 26 | 2020 |
| Pre-exascale accelerated application development: The ORNL Summit experience L Luo, TP Straatsma, LEA Suarez, R Broer, D Bykov, EF D'Azevedo, ... IBM Journal of Research and Development 64 (3/4), 11: 1-11: 21, 2020 | 23 | 2020 |
| GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems TP Straatsma, R Broer, S Faraji, RWA Havenith, LE Suarez, RK Kathir, ... The Journal of Chemical Physics 152 (6), 2020 | 21 | 2020 |
| State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More PE Hoggan, LU Ancarani Academic Press, 2019 | 15 | 2019 |
| Determination of electronic couplings in the singlet fission process using a nonorthogonal configuration interaction approach LEA Suarez, RK Kathir, E Siagri, RWA Havenith, S Faraji Advances in Quantum Chemistry 79, 263-287, 2019 | 11 | 2019 |
| On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments A Sanchez-Mansilla, C Sousa, RK Kathir, R Broer, TP Straatsma, ... Physical Chemistry Chemical Physics 24 (19), 11931-11944, 2022 | 10 | 2022 |
| The rate constant for formation of HCl through radiative association RK Kathir, G Nyman, M Gustafsson Monthly Notices of the Royal Astronomical Society 470 (3), 3068-3070, 2017 | 9 | 2017 |
| GronOR nonorthogonal configuration interaction R Broer, SS Faraji, C de Graaf, RWA Havenith, TP Straatsma, LEA Suarez, ... | 2 | 2018 |
| Nonorthogonal configuration interaction to study electron and excitation energy transfer RK Kathir University of Groningen, 2022 | | 2022 |
| Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit T Speelman, AV Cunha, RK Kathir, RWA Havenith Journal of Computational Chemistry 42 (5), 326-333, 2021 | | 2021 |
| Using R-Matrix Theory of Eelectron-molecule Collisions to Study Dissociative Electron Attachment to H₂O and Cl₂O KR Kanagarajan Indian Institute of Science Education and Research Kolkata, 2016 | | 2016 |
