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Torsha Moitra
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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
832020
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
402019
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
282020
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
282019
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
162018
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
152022
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
152021
Capturing correlation effects on photoionization dynamics
T Moitra, S Coriani, P Decleva
Journal of Chemical Theory and Computation 17 (8), 5064-5079, 2021
142021
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
92022
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
92020
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
82023
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
42023
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
42023
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
42021
Relativistic Effects on Photodynamical Processes
P Karak, T Moitra, S Chakrabarti
Elsevier, 2023
12023
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
2019
Accurate Description of Photoionization Dynamical Parameters. Supporting Information
T Moitra, A Ponzi, H Koch, S Coriani, P Decleva
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Articles 1–20