Radiative charge transfer lifetime of the excited state of (NaCa)+^+

New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom--ion trap under high vacuum conditions. The collisional cooling of laser pre-cooled Ca$^+$ ions by ultracold Na atoms is being studied. Modeling this process requires knowledge of the radiative lifetime of the excited singlet A$^1\Sigma^+$ state of the (NaCa)$^+$ molecular system. We calculate the rate coefficient for radiative charge transfer using a semiclassical approach. The dipole radial matrix elements between the ground and the excited states, and the potential curves were calculated using Complete Active Space Self-Consistent field and M\"oller-Plesset second order perturbation theory (CASSCF/MP2) with an extended Gaussian basis, 6-311+G(3df). The semiclassical charge transfer rate coefficient was averaged over a thermal Maxwellian distribution. In addition we also present elastic collision cross sections and the spin-exchange cross section. The rate coefficient for charge transfer was found to be $2.3\times 10^{-16}$ cm$^3$/sec, while those for the elastic and spin-exchange cross sections were found to be several orders of magnitude higher ($1.1\times 10^{-8}$ cm$^3$/sec and $2.3\times 10^{-9}$ cm$^3$/sec, respectively). This confirms our assumption that the milli-Kelvin regime of collisional cooling of calcium ions by sodium atoms is favorable with the respect to low loss of calcium ions due to the charge transfer.Comment: 4 pages, 5 figures; v.2 - conceptual change

Validating Semi-Analytic Models of High-Redshift Galaxy Formation using Radiation Hydrodynamical Simulations

We use a cosmological hydrodynamic simulation calculated with Enzo and the semi-analytic galaxy formation model (SAM) GAMMA to address the chemical evolution of dwarf galaxies in the early universe. The long-term goal of the project is to better understand the origin of metal-poor stars and the formation of dwarf galaxies and the Milky Way halo by cross-validating these theoretical approaches. We combine GAMMA with the merger tree of the most massive galaxy found in the hydrodynamic simulation and compare the star formation rate, the metallicity distribution function (MDF), and the age-metallicity relationship predicted by the two approaches. We found that the SAM can reproduce the global trends of the hydrodynamic simulation. However, there are degeneracies between the model parameters and more constraints (e.g., star formation efficiency, gas flows) need to be extracted from the simulation to isolate the correct semi-analytic solution. Stochastic processes such as bursty star formation histories and star formation triggered by supernova explosions cannot be reproduced by the current version of GAMMA. Non-uniform mixing in the galaxy's interstellar medium, coming primarily from self-enrichment by local supernovae, causes a broadening in the MDF that can be emulated in the SAM by convolving its predicted MDF with a Gaussian function having a standard deviation of ~0.2 dex. We found that the most massive galaxy in the simulation retains nearby 100% of its baryonic mass within its virial radius, which is in agreement with what is needed in GAMMA to reproduce the global trends of the simulation.Comment: 26 pages, 13 figures, 2 tables, submitted to ApJ (version 2

An Entropy Search Portfolio for Bayesian Optimization

Bayesian optimization is a sample-efficient method for black-box global optimization. How- ever, the performance of a Bayesian optimization method very much depends on its exploration strategy, i.e. the choice of acquisition function, and it is not clear a priori which choice will result in superior performance. While portfolio methods provide an effective, principled way of combining a collection of acquisition functions, they are often based on measures of past performance which can be misleading. To address this issue, we introduce the Entropy Search Portfolio (ESP): a novel approach to portfolio construction which is motivated by information theoretic considerations. We show that ESP outperforms existing portfolio methods on several real and synthetic problems, including geostatistical datasets and simulated control tasks. We not only show that ESP is able to offer performance as good as the best, but unknown, acquisition function, but surprisingly it often gives better performance. Finally, over a wide range of conditions we find that ESP is robust to the inclusion of poor acquisition functions.Comment: 10 pages, 5 figure

Dynamics of quantum Hall stripes in double-quantum-well systems

The collective modes of stripes in double layer quantum Hall systems are computed using the time-dependent Hartree-Fock approximation. It is found that, when the system possesses spontaneous interlayer coherence, there are two gapless modes, one a phonon associated with broken translational invariance, the other a pseudospin-wave associated with a broken U(1) symmetry. For large layer separations the modes disperse weakly for wavevectors perpendicular to the stripe orientation, indicating the system becomes akin to an array of weakly coupled one-dimensional XY systems. At higher wavevectors the collective modes develop a roton minimum associated with a transition out of the coherent state with further increasing layer separation. A spin wave model of the system is developed, and it is shown that the collective modes may be described as those of a system with helimagnetic ordering.Comment: 16 pages including 7 postscript figure

Electron-phonon coupling in the C60 fullerene within the many-body GW approach

We study the electron-phonon coupling in the C60 fullerene within the first-principles GW approach, focusing on the lowest unoccupied t1u three-fold electronic state which is relevant for the superconducting transition in electron doped fullerides. It is shown that the strength of the coupling is significantly enhanced as compared to standard density functional theory calculations with (semi)local functionals, with a 48% increase of the electron-phonon potential Vep. The calculated GW value for the contribution from the Hg modes of 93 meV comes within 4% of the most recent experimental values. The present results call for a reinvestigation of previous density functional based calculations of electron-phonon coupling in covalent systems in general.Comment: 4 pages, 0 figur

Commensurate-incommensurate transitions of quantum Hall stripe states in double-quantum-well systems

In higher Landau levels (N>0) and around filling factors nu =4N+1, a two-dimensional electron gas in a double-quantum-well system supports a stripe groundstate in which the electron density in each well is spatially modulated. When a parallel magnetic field is added in the plane of the wells, tunneling between the wells acts as a spatially rotating effective Zeeman field coupled to the ``pseudospins'' describing the well index of the electron states. For small parallel fields, these pseudospins follow this rotation, but at larger fields they do not, and a commensurate-incommensurate transition results. Working in the Hartree-Fock approximation, we show that the combination of stripes and commensuration in this system leads to a very rich phase diagram. The parallel magnetic field is responsible for oscillations in the tunneling matrix element that induce a complex sequence of transitions between commensurate and incommensurate liquid or stripe states. The homogeneous and stripe states we find can be distinguished by their collective excitations and tunneling I-V, which we compute within the time-dependent Hartree-Fock approximation.Comment: 23 pages including 8 eps figure

Uncertainties in Galactic Chemical Evolution Models

We use a simple one-zone galactic chemical evolution model to quantify the uncertainties generated by the input parameters in numerical predictions for a galaxy with properties similar to those of the Milky Way. We compiled several studies from the literature to gather the current constraints for our simulations regarding the typical value and uncertainty of the following seven basic parameters: the lower and upper mass limits of the stellar initial mass function (IMF), the slope of the high-mass end of the stellar IMF, the slope of the delay-time distribution function of Type Ia supernovae (SNe Ia), the number of SNe Ia per M ⊙ formed, the total stellar mass formed, and the final mass of gas. We derived a probability distribution function to express the range of likely values for every parameter, which were then included in a Monte Carlo code to run several hundred simulations with randomly selected input parameters. This approach enables us to analyze the predicted chemical evolution of 16 elements in a statistical manner by identifying the most probable solutions, along with their 68% and 95% confidence levels. Our results show that the overall uncertainties are shaped by several input parameters that individually contribute at different metallicities, and thus at different galactic ages. The level of uncertainty then depends on the metallicity and is different from one element to another. Among the seven input parameters considered in this work, the slope of the IMF and the number of SNe Ia are currently the two main sources of uncertainty. The thicknesses of the uncertainty bands bounded by the 68% and 95% confidence levels are generally within 0.3 and 0.6 dex, respectively. When looking at the evolution of individual elements as a function of galactic age instead of metallicity, those same thicknesses range from 0.1 to 0.6 dex for the 68% confidence levels and from 0.3 to 1.0 dex for the 95% confidence levels. The uncertainty in our chemical evolution model does not include uncertainties relating to stellar yields, star formation and merger histories, and modeling assumptions