| eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods SD Folkestad, EF Kjønstad, RH Myhre, JH Andersen, A Balbi, S Coriani, ... The Journal of Chemical Physics 152 (18), 184103, 2020 | 88 | 2020 |
| Molecular inner-shell photoabsorption/photoionization cross sections at core-valence-separated coupled cluster level: Theory and examples BNC Tenorio, T Moitra, MAC Nascimento, AB Rocha, S Coriani The Journal of Chemical Physics 150 (22), 2019 | 41 | 2019 |
| Accurate Description of Photoionization Dynamical Parameters T Moitra, A Ponzi, H Koch, S Coriani, P Decleva J. Phys. Chem. Lett. 11 (13), 5330-5337, 2020 | 28 | 2020 |
| Strong Duschinsky mixing induced breakdown of Kasha’s rule in an organic phosphor L Paul, T Moitra, K Ruud, S Chakrabarti The Journal of Physical Chemistry Letters 10 (3), 369-374, 2019 | 28 | 2019 |
| Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory AS Skeidsvoll, T Moitra, A Balbi, AC Paul, S Coriani, H Koch Physical Review A 105 (2), 023103, 2022 | 17 | 2022 |
| Capturing correlation effects on photoionization dynamics T Moitra, S Coriani, P Decleva Journal of Chemical Theory and Computation 17 (8), 5064-5079, 2021 | 16 | 2021 |
| Intersystem crossing rate dependent dual emission and phosphorescence from cyclometalated platinum complexes: a second order cumulant expansion based approach T Moitra, MM Alam, S Chakrabarti Physical Chemistry Chemical Physics 20 (36), 23244-23251, 2018 | 16 | 2018 |
| Behind the scenes of spin-forbidden decay pathways in transition metal complexes T Moitra, P Karak, S Chakraborty, K Ruud, S Chakrabarti Physical Chemistry Chemical Physics 23 (1), 59-81, 2021 | 15 | 2021 |
| Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum T Moitra, AC Paul, P Decleva, H Koch, S Coriani Physical Chemistry Chemical Physics 24 (14), 8329-8343, 2022 | 10 | 2022 |
| Vibrationally resolved coupled-cluster x-ray absorption spectra from vibrational configuration interaction anharmonic calculations T Moitra, D Madsen, O Christiansen, S Coriani The Journal of Chemical Physics 153 (23), 2020 | 10 | 2020 |
| Accurate relativistic real-time time-dependent density functional theory for valence and core attosecond transient absorption spectroscopy T Moitra, L Konecny, M Kadek, A Rubio, M Repisky The journal of physical chemistry letters 14 (7), 1714-1724, 2023 | 9 | 2023 |
| New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering AK Schnack-Petersen, T Moitra, SD Folkestad, S Coriani Journal of Physical Chemistry A 127 (7), 1775-1793, 2023 | 6 | 2023 |
| Inner-shell photoabsorption and photoionisation cross-sections of valence excited states from asymmetric-Lanczos equation-of-motion coupled cluster singles and doubles theory T Moitra, S Coriani, BN Cabral Tenorio Molecular Physics 119 (21-22), e1980235, 2021 | 5 | 2021 |
| Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin–orbit coupling effects P Karak, T Moitra, K Ruud, S Chakrabarti Physical Chemistry Chemical Physics 25 (11), 8209-8219, 2023 | 4 | 2023 |
| Relativistic Effects on Photodynamical Processes P Karak, T Moitra, S Chakrabarti Elsevier, 2023 | 1 | 2023 |
| Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling P Karak, T Moitra, A Banerjee, K Ruud, S Chakrabarti Physical Chemistry Chemical Physics 26 (6), 5344-5355, 2024 | | 2024 |
| Relativistic real-time time dependent density functional theory for valence and core level attosecond transient absorption spectroscopy T Moitra, L Konecny, M Kadek, A Rubio, M Repisky, N Team APS March Meeting Abstracts 2023, Y17. 005, 2023 | | 2023 |
| Coupled Cluster Based Methods for Photoabsorption and Photoelectron Spectroscopy T Moitra Technical University of Denmark, 2021 | | 2021 |
| Revealing molecular secrets by theoretical beamlines S Coriani, ML Vidal, T Moitra, D Fedotov, R Faber 9th Molecular Quantum Mechanics Conference, 2019 | | 2019 |
| On the Accurate Description of Photoionization Dynamical Parameters. Supporting Information T Moitra, A Ponzi, H Koch, S Coriani, P Decleva | | |
Sonia CorianiDepartment of Chemistry, Technical University of DenmarkVerified email at kemi.dtu.dk
