1,072 research outputs found
Comparative study of density functional theories of the exchange-correlation hole and energy in silicon
We present a detailed study of the exchange-correlation hole and
exchange-correlation energy per particle in the Si crystal as calculated by the
Variational Monte Carlo method and predicted by various density functional
models. Nonlocal density averaging methods prove to be successful in correcting
severe errors in the local density approximation (LDA) at low densities where
the density changes dramatically over the correlation length of the LDA hole,
but fail to provide systematic improvements at higher densities where the
effects of density inhomogeneity are more subtle. Exchange and correlation
considered separately show a sensitivity to the nonlocal semiconductor crystal
environment, particularly within the Si bond, which is not predicted by the
nonlocal approaches based on density averaging. The exchange hole is well
described by a bonding orbital picture, while the correlation hole has a
significant component due to the polarization of the nearby bonds, which
partially screens out the anisotropy in the exchange hole.Comment: 16 pages, 5 figures, RevTeX, added conten
Photonic band structure of highly deformable, self-assembling systems
We calculate the photonic band structure at normal incidence of highly
deformable, self-assembling systems - cholesteric elastomers subjected to
external stress. Cholesterics display brilliant reflection and lasing owing to
gaps in their photonic band structure. The band structure of cholesteric
elastomers varies sensitively with strain, showing new gaps opening up and
shifting in frequency. A novel prediction of a total band gap is made, and is
expected to occur in the vicinity of the previously observed de Vries bandgap,
which is only for one polarisation
Dielectrophoresis of charged colloidal suspensions
We present a theoretical study of dielectrophoretic (DEP) crossover spectrum
of two polarizable particles under the action of a nonuniform AC electric
field. For two approaching particles, the mutual polarization interaction
yields a change in their respective dipole moments, and hence, in the DEP
crossover spectrum. The induced polarization effects are captured by the
multiple image method. Using spectral representation theory, an analytic
expression for the DEP force is derived. We find that the mutual polarization
effects can change the crossover frequency at which the DEP force changes sign.
The results are found to be in agreement with recent experimental observation
and as they go beyond the standard theory, they help to clarify the important
question of the underlying polarization mechanisms
Image forces on screw dislocations in multilayer structures
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/26533/1/0000072.pd
Allowed Gamow-Teller Excitations from the Ground State of 14N
Motivated by the proposed experiment , we study the
final states which can be reached via the allowed Gamow-Teller mechanism. Much
emphasis has been given in the past to the fact that the transition matrix
element from the ground state of to the ground state of is very close to zero, despite the fact that all
the quantum numbers are right for an allowed transition. We discuss this
problem, but, in particular, focus on the excitations to final states with
angular momenta and . We note that the summed strength to the
states, calculated with a wide variety of interactions, is
significantly larger than that to the final states.Comment: Submitted to Phys. Rev.
Efficient photoionization for barium ion trapping using a dipole-allowed resonant two-photon transition
Two efficient and isotope-selective resonant two-photon ionization techniques
for loading barium ions into radio-frequency (RF)-traps are demonstrated. The
scheme of using a strong dipole-allowed transition at \lambda=553 nm as a first
step towards ionization is compared to the established technique of using a
weak intercombination line (\lambda=413 nm). An increase of two orders of
magnitude in the ionization efficiency is found favoring the transition at 553
nm. This technique can be implemented using commercial all-solid-state laser
systems and is expected to be advantageous compared to other narrowband
photoionization schemes of barium in cases where highest efficiency and
isotope-selectivity are required.Comment: 8 pages, 5 figure
Generic Rotation in a Collective SD Nucleon-Pair Subspace
Low-lying collective states involving many nucleons interacting by a random
ensemble of two-body interactions (TBRE) are investigated in a collective
SD-pair subspace, with the collective pairs defined dynamically from the
two-nucleon system. It is found that in this truncated pair subspace collective
vibrations arise naturally for a general TBRE hamiltonian whereas collective
rotations do not. A hamiltonian restricted to include only a few randomly
generated separable terms is able to produce collective rotational behavior, as
long as it includes a reasonably strong quadrupole-quadrupole component.
Similar results arise in the full shell model space. These results suggest that
the structure of the hamiltonian is key to producing generic collective
rotation.Comment: 11 pages, 5 figure
Decoherence and Initial Correlations in Quantum Brownian Motion
We analyze the evolution of a quantum Brownian particle starting from an
initial state that contains correlations between this system and its
environment. Using a path integral approach, we obtain a master equation for
the reduced density matrix of the system finding relatively simple expressions
for its time dependent coefficients. We examine the evolution of delocalized
initial states (Schr\"odinger's cats) investigating the effectiveness of the
decoherence process. Analytic results are obtained for an ohmic environment
(Drude's model) at zero temperature.Comment: 15 pages, RevTex, 5 figures included. Submitted to Phys. Rev.
Third-order relativistic many-body calculations of energies and lifetimes of levels along the silver isoelectronic sequence
Energies of 5l_j (l= s, p, d, f, g) and 4f_j states in neutral Ag and Ag-like
ions with nuclear charges Z = 48 - 100 are calculated using relativistic
many-body perturbation theory. Reduced matrix elements, oscillator strengths,
transition rates and lifetimes are calculated for the 17 possible 5l_j-5l'_{j'}
and 4f_j-5l_{j'} electric-dipole transitions. Third-order corrections to
energies and dipole matrix elements are included for neutral Ag and for ions
with Z60. Comparisons are made
with available experimental data for transition energies and lifetimes.
Correlation energies and transition rates are shown graphically as functions of
nuclear charge Z for selected cases. These calculations provide a theoretical
benchmark for comparison with experiment and theory.Comment: 8 page
Fluctuations and Dissipation of Coherent Magnetization
A quantum mechanical model is used to derive a generalized Landau-Lifshitz
equation for a magnetic moment, including fluctuations and dissipation. The
model reproduces the Gilbert-Brown form of the equation in the classical limit.
The magnetic moment is linearly coupled to a reservoir of bosonic degrees of
freedom. Use of generalized coherent states makes the semiclassical limit more
transparent within a path-integral formulation. A general
fluctuation-dissipation theorem is derived. The magnitude of the magnetic
moment also fluctuates beyond the Gaussian approximation. We discuss how the
approximate stochastic description of the thermal field follows from our
result. As an example, we go beyond the linear-response method and show how the
thermal fluctuations become anisotropy-dependent even in the uniaxial case.Comment: 22 page
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