58 citations · 550 across the 47 of their papers we have counts for
10 papers · 1 filter
Higher energy triplet-pair states in polyenes and their role in intramolecular singlet fission
Darren J Valentine, Dilhan Manawadu, William Barford
Probing extended polyene systems with energy in excess of the bright state (/) band edge generates triplets via singlet fission. This process is not thought to invol…
Excited states in poly-diacetylene chains: A Density-matrix-renormalization-group study
Gergely Barcza, William Barford, Florian Gebhard +1
We study theoretically poly-diacetylene chains diluted in their monomer matrix. We employ the density-matrix renormalization group method (DMRG) on finite chains to calculate the g…
Quantized Lattice Dynamic Effects on the Peierls transition of the Extended Hubbard Model
Christopher J. Pearson, William Barford, Robert J. Bursill
The density matrix renormalization group method is used to investigate the Peierls transition for the extended Hubbard model coupled to quantized phonons. Following our earlier wor…
Quantized Lattice Dynamic Effects on the Spin-Peierls Transition
Christopher J. Pearson, William Barford, Robert J. Bursill
The density matrix renormalization group method is used to investigate the spin-Peierls transition for Heisenberg spins coupled to quantized phonons. We use a phonon spectrum that…
Computational Investigations of the Primary Excited States of Poly(para-phenylene vinylene)
Robert J. Bursill, William Barford
The Pariser-Parr-Pople model of pi-conjugated electrons is solved by the density matrix renormalization group method for the light emitting polymer, poly(para-phenylene vinylene).…
Can Quantum Lattice Fluctuations Destroy the Peierls Broken Symmetry Ground State?
William Barford, Robert J Bursill
The study of bond alternation in one-dimensional electronic systems has had a long history. Theoretical work in the 1930s predicted the absence of bond alternation in the limit of…
Peierls transition in the quantum spin-Peierls model
William Barford, Robert J. Bursill
We use the density matrix renormalization group method to investigate the role of longitudinal quantized phonons on the Peierls transition in the spin-Peierls model. For both the X…
Relaxation energies and excited state structures of poly(para-phenylene)
Eric E. Moore, William Barford, Robert J. Bursill
We investigate the relaxation energies and excited state geometries of the light emitting polymer, poly(para-phenylene). We solve the Pariser-Parr-Pople-Peierls model using the den…
Dynamical model of the dielectric screening of conjugated polymers
William Barford, Robert Bursill, David Yaron
A dynamical model of the dielectric screening of conjugated polymers is introduced and solved using the density matrix renormalization group method. The model consists of a line of…
Effect of Quantised Lattice Fluctuations on the Electronic States of Polyenes
W. Barford, R. J. Bursill, M. Yu Lavrentiev
We solve a model of interacting electrons coupled to longitudinal phonons using the density matrix renormalisation group method. The model is parametrised for polyenes. We calculat…