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 $h_1$ and $h_2$ and their lateral distance $R$. 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 $R$-dependence of the splitting is shown to become weaker with increasing $h_1,h_2$.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 $9.83 \times 10^{-4}\rm \leq \rho \leq 0.153 \rm gcm^{-3}$ and $5000 \leq T \leq 250 000 \rm K$. 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 ($E\le10^{-6}$ a.u.) with atomic hydrogen are established. They include the elastic and inelastic cross sections and Protonium (Pn) formation spectrum. The inverse Auger process ($Pn+e \to H+\bar{p}$) 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 $\bar{p}H$ 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 $H\bar{H}$ 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