Correlated electronic properties of a graphene nanoflake: Coronene
We report studies of the correlated excited states of coronene and substituted coronene
within the Pariser–Parr–Pople (PPP) correlated π-electron model employing the symmetry …
within the Pariser–Parr–Pople (PPP) correlated π-electron model employing the symmetry …
A model exact study of the properties of low-lying electronic states of perylene and substituted perylenes
There is a resurgence of interest in the electronic structure of perylene for its applications in
molecular devices such as organic photovoltaics and organic light-emitting diodes. In this …
molecular devices such as organic photovoltaics and organic light-emitting diodes. In this …
Low-lying excited states of Diphenylpolyenes and its derivatives in singlet fission: A Density Matrix Renormalization Group study
N Karmakar, M Das - Computational and Theoretical Chemistry, 2022 - Elsevier
Singlet fission (SF) is a promising mechanism by which the power conversion efficiency
(PCE) of the solar cells can be increased. α, ω-Diphenylpolyenes are known to draw …
(PCE) of the solar cells can be increased. α, ω-Diphenylpolyenes are known to draw …
Magnetoelectric coupling on fused azulene oligomers
A Valentim, DJ Garcia, JA Plascak - Physical Review B, 2022 - APS
The global magnetic phase diagram for fused azulene oligomers is obtained by using a
fermionic Hubbard model, which is an intermediate between the molecular Pariser-Parr …
fermionic Hubbard model, which is an intermediate between the molecular Pariser-Parr …
The use of low-lying excited states of zethrene and its homologs in singlet fission within Pariser-Parr-Pople model Hamiltonian: A Density Matrix Renormalization …
The low-lying excited states of zethrene, its homologs, and conjugated molecules like bis-
phenaleno-indenofluorene, diaryl pentaleno diacenaphthylene and pentalenodiphenalene …
phenaleno-indenofluorene, diaryl pentaleno diacenaphthylene and pentalenodiphenalene …
Energy ordering of singlet and triplet excited states in indacenodithiophene and indenofluorenes molecules in singlet fission: A model exact and density matrix …
Energy ordering of lowest singlet (S 1) and triplet excited state (T 1) dominates the
optoelectronic properties of conjugated molecules. The small magnitude of S 1-T 1 (Δ E ST) …
optoelectronic properties of conjugated molecules. The small magnitude of S 1-T 1 (Δ E ST) …