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cond-mat.mtrl-sci2020
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…
physics.optics2020
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…