747 research outputs found
Strongly Enhanced Spin Squeezing via Quantum Control
We describe a new approach to spin squeezing based on a double-pass Faraday
interaction between an optical probe and an optically dense atomic sample. A
quantum eraser is used to remove residual spin-probe entanglement, thereby
realizing a single-axis twisting unitary map on the collective spin. This
interaction can be phase-matched, resulting in exponential enhancement of
squeezing. In practice the scaling and peak squeezing depends on decoherence,
technical loss, and noise. A simplified model indicates ~10 dB of squeezing
should be achievable with current laboratory parameters.Comment: 4 pages, 2 figures
Quantum Monte Carlo study of the Ne atom and the Ne+ ion
We report all-electron and pseudopotential calculations of the
ground-stateenergies of the neutral Ne atom and the Ne+ ion using the
variational and diffusion quantum Monte Carlo (DMC) methods. We investigate
different levels of Slater-Jastrow trial wave function: (i) using Hartree-Fock
orbitals, (ii) using orbitals optimized within a Monte Carlo procedure in the
presence of a Jastrow factor, and (iii) including backflow correlations in the
wave function. Small reductions in the total energy are obtained by optimizing
the orbitals, while more significant reductions are obtained by incorporating
backflow correlations. We study the finite-time-step and fixed-node biases in
the DMC energy and show that there is a strong tendency for these errors to
cancel when the first ionization potential (IP) is calculated. DMC gives highly
accurate values for the IP of Ne at all the levels of trial wave function that
we have considered
Alternative sampling for variational quantum Monte Carlo
Expectation values of physical quantities may accurately be obtained by the
evaluation of integrals within Many-Body Quantum mechanics, and these
multi-dimensional integrals may be estimated using Monte Carlo methods. In a
previous publication it has been shown that for the simplest, most commonly
applied strategy in continuum Quantum Monte Carlo, the random error in the
resulting estimates is not well controlled. At best the Central Limit theorem
is valid in its weakest form, and at worst it is invalid and replaced by an
alternative Generalised Central Limit theorem and non-Normal random error. In
both cases the random error is not controlled. Here we consider a new `residual
sampling strategy' that reintroduces the Central Limit Theorem in its strongest
form, and provides full control of the random error in estimates. Estimates of
the total energy and the variance of the local energy within Variational Monte
Carlo are considered in detail, and the approach presented may be generalised
to expectation values of other operators, and to other variants of the Quantum
Monte Carlo method.Comment: 14 pages, 9 figure
Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code
We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last decade, describing state-of-the-art quantum Monte Carlo algorithms and software and discussing their strengths and their weaknesses. We review a range of recent applications of CASINO
Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals
We report diffusion quantum Monte Carlo calculations of three-dimensional
Wigner crystals in the density range r_s=100-150. We have tested different
types of orbital for use in the approximate wave functions but none improve
upon the simple Gaussian form. The Gaussian exponents are optimized by directly
minimizing the diffusion quantum Monte Carlo energy. We have carefully
investigated and sought to minimize the potential biases in our Monte Carlo
results. We conclude that the uniform electron gas undergoes a transition from
a ferromagnetic fluid to a body-centered-cubic Wigner crystal at r_s=106+/-1.
The diffusion quantum Monte Carlo results are compared with those from
Hartree-Fock and Hartree theory in order to understand the role played by
exchange and correlation in Wigner crystals. We also study "floating" Wigner
crystals and give results for their pair-correlation functions
Accurate structure factors from pseudopotential methods
Highly accurate experimental structure factors of silicon are available in
the literature, and these provide the ideal test for any \emph{ab initio}
method for the construction of the all-electron charge density. In a recent
paper [J. R. Trail and D. M. Bird, Phys. Rev. B {\bf 60}, 7863 (1999)] a method
has been developed for obtaining an accurate all-electron charge density from a
first principles pseudopotential calculation by reconstructing the core region
of an atom of choice. Here this method is applied to bulk silicon, and
structure factors are derived and compared with experimental and Full-potential
Linear Augmented Plane Wave results (FLAPW). We also compare with the result of
assuming the core region is spherically symmetric, and with the result of
constructing a charge density from the pseudo-valence density + frozen core
electrons. Neither of these approximations provide accurate charge densities.
The aspherical reconstruction is found to be as accurate as FLAPW results, and
reproduces the residual error between the FLAPW and experimental results.Comment: 6 Pages, 3 figure
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