Comment on: "Estimating the Hartree-Fock limit from finite basis set calculations" [Jensen F (2005) Theor Chem Acc 113:267]

We demonstrate that a minor modification of the extrapolation proposed by Jensen [(2005): Theor Chem Acc 113:267] yields very reliable estimates of the Hartree-Fock limit in conjunction with correlation consistent basis sets. Specifically, a two-point extrapolation of the form $E_{HF,L}=E_{HF,\infty}+A(L+1)\exp(-9\sqrt{L})$ yields HF limits $E_{HF,\infty}$ with an RMS error of 0.1 millihartree using aug-cc-pVQZ and aug-cc-pV5Z basis sets, and of 0.01 millihartree using aug-cc-pV5Z and aug-cc-pV6Z basis sets.Comment: Theoretical Chemistry Accounts, in pres

Static feed water electrolysis module

An advanced static feed water electrolysis module (SFWEM) and associated instrumentation for generating breathable O2 was developed. The system also generates a H2 byproduct for use in an air revitalization system for O2 recovery from metabolic CO2. Special attention was given to: (1) eliminating water feed compartment degassing, (2) eliminating need for zero gravity condenser/separators, (3) increasing current density capability, and (4) providing a self contained module so that operation is independent of laboratory instrumentation and complicated startup/shutdown procedures

Crystal structure prediction using the Minima Hopping method

A structure prediction method is presented based on the Minima Hopping method. Optimized moves on the configurational enthalpy surface are performed to escape local minima using variable cell shape molecular dynamics by aligning the initial atomic and cell velocities to low curvature directions of the current minimum. The method is applied to both silicon crystals and binary Lennard-Jones mixtures and the results are compared to previous investigations. It is shown that a high success rate is achieved and a reliable prediction of unknown ground state structures is possible.Comment: 9 pages, 6 figures, novel approach in structure prediction, submitted to the Journal of Chemical Physic

Low-density series expansions for directed percolation III. Some two-dimensional lattices

We use very efficient algorithms to calculate low-density series for bond and site percolation on the directed triangular, honeycomb, kagom\'e, and $(4.8^2)$ lattices. Analysis of the series yields accurate estimates of the critical point $p_c$ and various critical exponents. The exponent estimates differ only in the $5^{th}$ digit, thus providing strong numerical evidence for the expected universality of the critical exponents for directed percolation problems. In addition we also study the non-physical singularities of the series.Comment: 20 pages, 8 figure

One- and Two-Nucleon Structure form Green's Function Theory

We review some applications of self-consistent Green's function theory to studies of one- and two-nucleon structure in finite nuclei. Large-scale microscopic calculations that employ realistic nuclear forces are now possible. Effects of long-range correlations are seen to play a dominant role in determining the quenching of absolute spectroscopic factors. They also enhance considerably (e,e'pn) cross sections in superparallel kinematics, in agreement with observations.Comment: Proceedings of the International Symposium on "Forefronts of Researches in Exotic Nuclear Structures" (Niigata2010)

Advanced combined iodine dispenser and detector

A total weight of 1.23 kg (2.7 lb), a total volume of 1213 cu m (74 cu in), and an average power consumption of 5.5W was achieved in the advanced combined iodine dispenser/detector by integrating the detector with the iodine source, arranging all iodinator components within a compact package and lowering the parasitic power to the detector and electronics circuits. These achievements surpassed the design goals of 1.36 kg (3.0 lb), 1671 cu m (102 cu in) and 8W. The reliability and maintainability were improved by reducing the detector lamp power, using an interchangeable lamp concept, making the electronic circuit boards easily accessible, providing redundant water seals and improving the accessibility to the iodine accumulator for refilling. The system was designed to iodinate (to 5 ppm iodine) the fuel cell water generated during 27 seven-day orbiter missions (equivalent to 18,500 kg (40,700 lb) of water) before the unit must be recharged with iodine crystals

Universality of three-body systems in 2D: parametrization of the bound states energies

Universal properties of mass-imbalanced three-body systems in 2D are studied using zero-range interactions in momentum space. The dependence of the three-particle binding energy on the parameters (masses and two-body energies) is highly non-trivial even in the simplest case of two identical particles and a distinct one. This dependence is parametrized for ground and excited states in terms of {\itshape supercircles} functions in the most general case of three distinguishable particles.Comment: 3 pages, 1 figure, published versio