Robert J. Bursill

THEORETICAL INVESTIGATION OF THE LOW-LYING ELECTRONIC STRUCTURE OF POLY(P-PHENYLENE VINYLENE)

The two-state molecular orbital model of the one-dimensional phenyl-based semiconductors is applied to poly(para-phenylene vinylene). The energies of the low-lying excited states are calculated using the density matrix renormalization group method. Calculations of both the exciton size and the charge gap show that there are both

PHASE DIAGRAM OF A HEISENBERG SPIN-PEIERLS MODEL WITH QUANTUM PHONONS

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Phase diagram of the one-dimensional Holstein model of spinless fermions

and

Density Matrix Renormalisation Group Approach to the Massive Schwinger Model

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Electron-Lattice Relaxation, and Soliton Structures and Their Interactions in Polyenes

excitonic levels below the band threshold. The energy of the

Density-matrix renormalization-group calculations of excited states of linear polyenes

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Optimal parametrisation of the Pariser–Parr–Pople Model for benzene and biphenyl

exciton extrapolates to 2.60 eV in the limit of infinite polymers, while the energy of the

Density-matrix renormalization-group algorithm for quantum lattice systems with a large number of states per site

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New finite-lattice study of the massive Schwinger model

exciton extrapolates to 2.94 eV. The calculated binding energy of the

Dynamical model of the dielectric screening of conjugated polymers

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