38 research outputs found
Structural Instability in Polyacene : A Projector Quantum Monte Carlo Study
We have studied polyacene within the Hubbard model to explore the effect of
electron correlations on the Peierls' instability in a system marginally away
from one-dimension. We employ the projector quantum Monte Carlo method to
obtain ground state estimates of the energy and various correlation functions.
We find strong similarities between polyacene and polyacetylene which can be
rationalized from the real-space valence-bond arguments of Mazumdar and Dixit.
Electron correlations tend to enhance the Peierls' instability in polyacene.
This enhancement appears to attain a maximum at and the maximum
shifts to larger values when the alternation parameter is increased. The system
shows no tendency to destroy the imposed bond-alternation pattern, as evidenced
by the bond-bond correlations. The cis- distortion is seen to be favoured over
the trans- distortion. The spin-spin correlations show that undistorted
polyacene is susceptible to a SDW distortion for large interaction strength.
The charge-charge correlations indicate the absence of a CDW distortion for the
parameters studied.Comment: 13 pages, 10 figures available on reques
Anomalous diffusion in the dynamics of complex processes
Anomalous diffusion, process in which the mean-squared displacement of system
states is a non-linear function of time, is usually identified in real
stochastic processes by comparing experimental and theoretical displacements at
relatively small time intervals. This paper proposes an interpolation
expression for the identification of anomalous diffusion in complex signals for
the cases when the dynamics of the system under study reaches a steady state
(large time intervals). This interpolation expression uses the chaotic
difference moment (transient structural function) of the second order as an
average characteristic of displacements. A general procedure for identifying
anomalous diffusion and calculating its parameters in real stochastic signals,
which includes the removal of the regular (low-frequency) components from the
source signal and the fitting of the chaotic part of the experimental
difference moment of the second order to the interpolation expression, is
presented. The procedure was applied to the analysis of the dynamics of
magnetoencephalograms, blinking fluorescence of quantum dots, and X-ray
emission from accreting objects. For all three applications, the interpolation
was able to adequately describe the chaotic part of the experimental difference
moment, which implies that anomalous diffusion manifests itself in these
natural signals. The results of this study make it possible to broaden the
range of complex natural processes in which anomalous diffusion can be
identified. The relation between the interpolation expression and a diffusion
model, which is derived in the paper, allows one to simulate the chaotic
processes in the open complex systems with anomalous diffusion.Comment: 47 pages, 15 figures; Submitted to Physical Review
-I Institute ofPhysical Chemistry, 103064, Moscow, K 64, -ul Ob. ukha
A model explaining the nature of ferromagnetic exchange in organometallic charge-transfer molecular stacks is presented. It arises because of both the weak delocalization of unpaired electrons occupying the acceptor sites and the ferromagnetic exchange interaction between slightly delocalized acceptor electrons and perfectly localized ones in the d orbitals of the donor sites. It is shown that both the ground state of the system and the low-energy excitations can be described (in line with Anderson s theory of exchange in insulators) with use of a one-dimensional Heisenberg spin Hamiltonian with ferromagnetic nearest-neighbor interactions. Theoretical estimates of the effective exchange parameter of the Heisenberg Hamiltonian agree with those obtained from experimental data on magnetic susceptibility and speci6c heat
PEIERLS INSTABILITY AND VIBRATIONAL SPECTRA OF POLYACETYLENE
No abstract availabl