4 papers
Designing intramolecular singlet-fission materials using indeno[1,2-b]fluorene dimers: A DMRG and TDDFT study
Sumit Naskar, Mousumi Das
Low-lying excited states for indeno[1,2-b]fluorene homo dimers with or without benzene spacers are calculated using the Density Matrix Renormalization group (DMRG) approach within…
Computational investigation on non-linear optical properties of hexaphyrin and core modified hexaphyrins
Sumit Naskar, Mousumi Das
Expanded porphyrin-based (Hexaphyrins) sensitizers are promising due to their excellent light harvesting feature in dye-sensitized solar cell (DSSC). We calculated the low-lying ex…
Ion-pair dissociation dynamics in electron collision with carbon dioxide probed by velocity slice imaging
Narayan Kundu, Sumit Naskar, Irina Jana +2
Ion-pair dissociation (IPD) to gas phase carbon dioxide molecule has been studied using time of flight (TOF) based mass spectroscopy in combination with the highly differential vel…
Dissociative electron attachment to sulfur dioxide : A theoretical approach
Irina Jana, Sumit Naskar, Mousumi Das +1
In this article, density functional theory (DFT) and natural bond orbital (NBO) calculations are performed to understand experimental observations of dissociative electron attachme…