551 research outputs found
Explicitly correlated trial wave functions in Quantum Monte Carlo calculations of excited states of Be and Be-
We present a new form of explicitly correlated wave function whose parameters
are mainly linear, to circumvent the problem of the optimization of a large
number of non-linear parameters usually encountered with basis sets of
explicitly correlated wave functions. With this trial wave function we
succeeded in minimizing the energy instead of the variance of the local energy,
as is more common in quantum Monte Carlo methods. We applied this wave function
to the calculation of the energies of Be 3P (1s22p2) and Be- 4So (1s22p3) by
variational and diffusion Monte Carlo methods. The results compare favorably
with those obtained by different types of explicitly correlated trial wave
functions already described in the literature. The energies obtained are
improved with respect to the best variational ones found in literature, and
within one standard deviation from the estimated non-relativistic limitsComment: 19 pages, no figures, submitted to J. Phys.
Low-energy Antiproton Interaction with Helium
An ab initio potential for the interaction of the neutral helium atom with
antiprotons and protons is calculated using the Born-Oppenheimer approximation.
Using this potential, the annihilation cross section for antiprotons in the
energy range 0.01 microvolt to 1 eV is calculated.Comment: 13 pages, 7 figures, LaTe
CVaR minimization by the SRA algorithm
Using the risk measure CV aR in �nancial analysis has become
more and more popular recently. In this paper we apply CV aR for portfolio optimization. The problem is formulated as a two-stage stochastic programming model, and the SRA algorithm, a recently developed heuristic algorithm, is applied for minimizing CV aR
Two-Center Integrals for r_{ij}^{n} Polynomial Correlated Wave Functions
All integrals needed to evaluate the correlated wave functions with
polynomial terms of inter-electronic distance are included. For this form of
the wave function, the integrals needed can be expressed as a product of
integrals involving at most four electrons
Calculations of exchange interaction in impurity band of two-dimensional semiconductors with out of plane impurities
We calculate the singlet-triplet splitting for a couple of two-dimensional
electrons in the potential of two positively charged impurities which are
located out of plane. We consider different relations between vertical
distances of impurities and and their lateral distance . Such a
system has never been studied in atomic physics but the methods, worked out for
regular two-atomic molecules and helium atom, have been found to be useful.
Analytical expressions for several different limiting configurations of
impurities are obtained an interpolated formula for intermediate range of
parameters is proposed. The -dependence of the splitting is shown to become
weaker with increasing .Comment: 14 pages, RevTeX, 5 figures. Submitted to Phys Rev.
Path Integral Monte Carlo Simulation of the Low-Density Hydrogen Plasma
Restricted path integral Monte Carlo simulations are used to calculate the
equilibrium properties of hydrogen in the density and temperature range of
and . We test the accuracy of the pair density matrix and
analyze the dependence on the system size, on the time step of the path
integral and on the type of nodal surface. We calculate the equation of state
and compare with other models for hydrogen valid in this regime. Further, we
characterize the state of hydrogen and describe the changes from a plasma to an
atomic and molecular liquid by analyzing the pair correlation functions and
estimating the number of atoms and molecules present.Comment: 12 pages, 21 figures, submitted for Phys. Rev.
Variational Density Matrix Method for Warm Condensed Matter and Application to Dense Hydrogen
A new variational principle for optimizing thermal density matrices is
introduced. As a first application, the variational many body density matrix is
written as a determinant of one body density matrices, which are approximated
by Gaussians with the mean, width and amplitude as variational parameters. The
method is illustrated for the particle in an external field problem, the
hydrogen molecule and dense hydrogen where the molecular, the dissociated and
the plasma regime are described. Structural and thermodynamic properties
(energy, equation of state and shock Hugoniot) are presented.Comment: 26 pages, 13 figures. submitted to Phys. Rev. E, October 199
Antiproton-Hydrogen annihilation at sub-kelvin temperatures
The main properties of the interaction of ultra low-energy antiprotons ( a.u.) with atomic hydrogen are established. They include the
elastic and inelastic cross sections and Protonium (Pn) formation spectrum. The
inverse Auger process () is taken into account in the
framework of an unitary coupled-channels model. The annihilation cross-section
is found to be several times smaller than the predictions made by the black
sphere absorption models. A family of nearthreshold metastable
states is predicited. The dependence of Protonium formation probability on the
position of such nearthreshold S-matrix singularities is analysed. An
estimation for the annihilation cross section is obtained.Comment: latex.tar.gz file, 22 pages, 9 figure
High Angular Resolution and Lightweight X-Ray Optics for Astronomical Missions
X-ray optics with both high angular resolution and lightweight is essential for further progress in x-ray astronomy. High angular resolution is important in avoiding source confusion and reducing background to enable the observation of the most distant objects of the early Universe. It is also important in enabling the use of gratings to achieve high spectral resolution to study, among other things, the myriad plasmas that exist in planetary, stellar, galactic environments, as well as interplanetary, inter-stellar, and inter-galactic media. Lightweight is important for further increase in effective photon collection area, because x-ray observations must take place on space platforms and the amount of mass that can be launched into space has always been very limited and is expected to continue to be very limited. This paper describes an x-ray optics development program and reports on its status that meets these two requirements. The objective of this program is to enable Explorer type missions in the near term and to enable flagship missions in the long term
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