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Subgap Two-Photon States in Polycyclic Aromatic Hydrocarbons: Evidence for Strong Electron Correlations
K. Aryanpour, A. Roberts, A. Sandhu +3
Strong electron correlation effects in the photophysics of quasi-one-dimensional -conjugated organic systems such as polyenes, polyacetylenes, polydiacetylenes, etc., have been…
Electron Correlations and Two-Photon States in Polycyclic Aromatic Hydrocarbon Molecules: A Peculiar Role of Geometry
K. Aryanpour, A. Shukla, S. Mazumdar
We present numerical studies of one- and two-photon excited states ordering in a number of polycyclic aromatic hydrocarbon molecules: coronene, hexa-peri-hexabenzocoronene and circ…
Pariser-Parr-Pople Model based Investigation of Ground and Low-Lying Excited States of Long Acenes
Himanshu Chakraborty, Alok Shukla
Several years back Angliker et al [Chem. Phys. Lett. 1982, 87, 208] predicted nonacene to be the first linear acene with the triplet state as the ground state, instea…
Large-scale first principles configuration interaction calculations of optical absorption in aluminum clusters
Ravindra Shinde, Alok Shukla
We report the linear optical absorption spectra of aluminum clusters Al (n=2--5) involving valence transitions, computed using the large-scale all-electron configuration inte…