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Sample records for absolute ground state

  1. Graphene ground states

    NASA Astrophysics Data System (ADS)

    Friedrich, Manuel; Stefanelli, Ulisse

    2018-06-01

    Graphene is locally two-dimensional but not flat. Nanoscale ripples appear in suspended samples and rolling up often occurs when boundaries are not fixed. We address this variety of graphene geometries by classifying all ground-state deformations of the hexagonal lattice with respect to configurational energies including two- and three-body terms. As a consequence, we prove that all ground-state deformations are either periodic in one direction, as in the case of ripples, or rolled up, as in the case of nanotubes.

  2. Optimal quantum error correcting codes from absolutely maximally entangled states

    NASA Astrophysics Data System (ADS)

    Raissi, Zahra; Gogolin, Christian; Riera, Arnau; Acín, Antonio

    2018-02-01

    Absolutely maximally entangled (AME) states are pure multi-partite generalizations of the bipartite maximally entangled states with the property that all reduced states of at most half the system size are in the maximally mixed state. AME states are of interest for multipartite teleportation and quantum secret sharing and have recently found new applications in the context of high-energy physics in toy models realizing the AdS/CFT-correspondence. We work out in detail the connection between AME states of minimal support and classical maximum distance separable (MDS) error correcting codes and, in particular, provide explicit closed form expressions for AME states of n parties with local dimension \

  3. Results from an absolute gravity survey in the United States

    NASA Technical Reports Server (NTRS)

    Zumberge, M. A.; Faller, J. E.; Gschwind, J.

    1983-01-01

    Using the recently completed JTLA absolute gravity meter, we made a survey of twelve sites in the United States. Over a period of eight weeks, the instrument was driven a total distance of nearly 20,000 km to sites in California, New Mexico, Colorado, Wyoming, Maryland and Massachusetts. The time spent in carrying out a measurement at a single location was typically one day. We report the results of the measurements in this survey along with earlier measurements made with the instrument, discuss the measurement accuracy and compare our results with other measurements. Previously announced in STAR as N83-20480

  4. Results from an absolute gravity survey in the United States

    NASA Astrophysics Data System (ADS)

    Zumberge, M. A.; Faller, J. E.; Gschwind, J.

    1983-09-01

    Using the recently completed JTLA absolute gravity meter, we made a survey of twelve sites in the United States. Over a period of eight weeks, the instrument was driven a total distance of nearly 20,000 km to sites in California, New Mexico, Colorado, Wyoming, Maryland and Massachusetts. The time spent in carrying out a measurement at a single location was typically one day. We report the results of the measurements in this survey along with earlier measurements made with the instrument, discuss the measurement accuracy and compare our results with other measurements. Previously announced in STAR as N83-20480

  5. Moving Toward the Ground State.

    PubMed

    Kumar, Ishan; Ivanova, Natalia

    2015-10-01

    Transferring mouse ESCs to a media supplemented with Mek and Gsk3β inhibitors (2i) provokes marked transcriptional and epigenetic changes, embodying a shift toward ground-state pluripotency. In this issue of Cell Stem Cell, Kolodziejczyk et al. (2015) examine population structures of ESCs while Galonska et al. (2015) unravel the mechanisms underlying regulatory network rewiring during 2i-mediated reprogramming. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. ACCESS, Absolute Color Calibration Experiment for Standard Stars: Integration, Test, and Ground Performance

    NASA Astrophysics Data System (ADS)

    Kaiser, Mary Elizabeth; Morris, Matthew; Aldoroty, Lauren; Kurucz, Robert; McCandliss, Stephan; Rauscher, Bernard; Kimble, Randy; Kruk, Jeffrey; Wright, Edward L.; Feldman, Paul; Riess, Adam; Gardner, Jonathon; Bohlin, Ralph; Deustua, Susana; Dixon, Van; Sahnow, David J.; Perlmutter, Saul

    2018-01-01

    Establishing improved spectrophotometric standards is important for a broad range of missions and is relevant to many astrophysical problems. Systematic errors associated with astrophysical data used to probe fundamental astrophysical questions, such as SNeIa observations used to constrain dark energy theories, now exceed the statistical errors associated with merged databases of these measurements. ACCESS, “Absolute Color Calibration Experiment for Standard Stars”, is a series of rocket-borne sub-orbital missions and ground-based experiments designed to enable improvements in the precision of the astrophysical flux scale through the transfer of absolute laboratory detector standards from the National Institute of Standards and Technology (NIST) to a network of stellar standards with a calibration accuracy of 1% and a spectral resolving power of 500 across the 0.35‑1.7μm bandpass. To achieve this goal ACCESS (1) observes HST/ Calspec stars (2) above the atmosphere to eliminate telluric spectral contaminants (e.g. OH) (3) using a single optical path and (HgCdTe) detector (4) that is calibrated to NIST laboratory standards and (5) monitored on the ground and in-flight using a on-board calibration monitor. The observations are (6) cross-checked and extended through the generation of stellar atmosphere models for the targets. The ACCESS telescope and spectrograph have been designed, fabricated, and integrated. Subsystems have been tested. Performance results for subsystems, operations testing, and the integrated spectrograph will be presented. NASA sounding rocket grant NNX17AC83G supports this work.

  7. Ground state spectrum of methylcyanide

    NASA Astrophysics Data System (ADS)

    Šimečková, Marie; Urban, Štěpán; Fuchs, Ulrike; Lewen, Frank; Winnewisser, Gisbert; Morino, Isamu; Yamada, Koichi M. T.

    2004-08-01

    The rotational spectrum of methylcyanide (acetonitrile) in the ground vibrational state was measured in the spectral region from 91 to 810 GHz using the Cologne and Tsukuba spectrometers operated in the Doppler-limited and sub-Doppler saturation layouts. The resolution of the saturation Lamb-dip measurements is estimated to be about 1 kHz at the best of circumstances and the measuring accuracy of 10-60 kHz depending very sensitively on the quality of the spectrum. In the cases of rotational transitions with the low quantum number J ( J<18) and with a low difference of the rotational quantum numbers J- K, the resolved or partly resolved hyperfine structures of the rotational transitions were observed. Together with the most accurate data from the literature, the newly measured experimental data were analyzed using the traditional polynomial energy formula as well as the Padè approximant for the effective rotational Hamiltonian. The resulting rotational, centrifugal distortion, and hyperfine structure spectroscopic constants were obtained with a significantly higher accuracy than the ones listed in the literature. In addition, an anomalous accidental resonance was detected between the K=14 ground state levels and the K=12, + l levels in the excited v8=1 vibrational state.

  8. Solid state structure and absolute configuration of filifolinol acetate.

    PubMed

    Muñoz, Marcelo A; Urzúa, Alejandro; Echeverría, Javier; Modak, Brenda; Joseph-Nathan, Pedro

    2011-06-01

    Careful reevaluation of the 1H and 13C NMR spectroscopic data of filifolinol acetate (4) led to the reassignment of the C-10 and C-11 signals, as well as the gem-dimethyl signals. Single crystal X-ray analysis provided an independent structural confirmation of 4, and comparison of the experimental vibrational circular dichroism spectrum with calculations performed using density functional theory provided the absolute configuration of this 3H-spiro-1-benzofuran-2,1'-cyclohexane and related molecules.

  9. Ground-based lidar and microwave radiometry synergy for high vertical resolution absolute humidity profiling

    NASA Astrophysics Data System (ADS)

    Barrera-Verdejo, María; Crewell, Susanne; Löhnert, Ulrich; Orlandi, Emiliano; Di Girolamo, Paolo

    2016-08-01

    Continuous monitoring of atmospheric humidity profiles is important for many applications, e.g., assessment of atmospheric stability and cloud formation. Nowadays there are a wide variety of ground-based sensors for atmospheric humidity profiling. Unfortunately there is no single instrument able to provide a measurement with complete vertical coverage, high vertical and temporal resolution and good performance under all weather conditions, simultaneously. For example, Raman lidar (RL) measurements can provide water vapor with a high vertical resolution, albeit with limited vertical coverage, due to sunlight contamination and the presence of clouds. Microwave radiometers (MWRs) receive water vapor information throughout the troposphere, though their vertical resolution is poor. In this work, we present an MWR and RL system synergy, which aims to overcome the specific sensor limitations. The retrieval algorithm combining these two instruments is an optimal estimation method (OEM), which allows for an uncertainty analysis of the retrieved profiles. The OEM combines measurements and a priori information, taking the uncertainty of both into account. The measurement vector consists of a set of MWR brightness temperatures and RL water vapor profiles. The method is applied to a 2-month field campaign around Jülich (Germany), focusing on clear sky periods. Different experiments are performed to analyze the improvements achieved via the synergy compared to the individual retrievals. When applying the combined retrieval, on average the theoretically determined absolute humidity uncertainty is reduced above the last usable lidar range by a factor of ˜ 2 with respect to the case where only RL measurements are used. The analysis in terms of degrees of freedom per signal reveal that most information is gained above the usable lidar range, especially important during daytime when the lidar vertical coverage is limited. The retrieved profiles are further evaluated using

  10. Ground state structure of random magnets

    SciTech Connect

    Bastea, S.; Duxbury, P.M.

    1998-10-01

    Using exact optimization methods, we find all of the ground states of ({plus_minus}h) random-field Ising magnets (RFIM) and of dilute antiferromagnets in a field (DAFF). The degenerate ground states are usually composed of isolated clusters (two-level systems) embedded in a frozen background. We calculate the paramagnetic response (sublattice response) and the ground state entropy for the RFIM (DAFF) due to these clusters. In both two and three dimensions there is a broad regime in which these quantities are strictly positive, even at irrational values of h/J (J is the exchange constant). {copyright} {ital 1998} {ital The American Physical Society}

  11. Study of ground state optical transfer for ultracold alkali dimers

    NASA Astrophysics Data System (ADS)

    Bouloufa-Maafa, Nadia; Londono, Beatriz; Borsalino, Dimitri; Vexiau, Romain; Mahecha, Jorge; Dulieu, Olivier; Luc-Koenig, Eliane

    2013-05-01

    Control of molecular states by laser pulses offer promising potential applications. The manipulation of molecules by external fields requires precise knowledge of the molecular structure. Our motivation is to perform a detailed analysis of the spectroscopic properties of alkali dimers, with the aim to determine efficient optical paths to form molecules in the absolute ground state and to determine the optimal parameters of the optical lattices where those molecules are manipulated to avoid losses by collisions. To this end, we use state of the art molecular potentials, R-dependent spin-orbit coupling and transition dipole moment to perform our calculations. R-dependent SO coupling are of crucial importance because the transitions occur at internuclear distances where they are affected by this R-dependence. Efficient schemes to transfer RbCs, KRb and KCs to the absolute ground state as well as the optimal parameters of the optical lattices will be presented. This work was supported in part by ``Triangle de la Physique'' under contract 2008-007T-QCCM (Quantum Control of Cold Molecules).

  12. Absolute Position Sensing Based on a Robust Differential Capacitive Sensor with a Grounded Shield Window

    PubMed Central

    Bai, Yang; Lu, Yunfeng; Hu, Pengcheng; Wang, Gang; Xu, Jinxin; Zeng, Tao; Li, Zhengkun; Zhang, Zhonghua; Tan, Jiubin

    2016-01-01

    A simple differential capacitive sensor is provided in this paper to measure the absolute positions of length measuring systems. By utilizing a shield window inside the differential capacitor, the measurement range and linearity range of the sensor can reach several millimeters. What is more interesting is that this differential capacitive sensor is only sensitive to one translational degree of freedom (DOF) movement, and immune to the vibration along the other two translational DOFs. In the experiment, we used a novel circuit based on an AC capacitance bridge to directly measure the differential capacitance value. The experimental result shows that this differential capacitive sensor has a sensitivity of 2 × 10−4 pF/μm with 0.08 μm resolution. The measurement range of this differential capacitive sensor is 6 mm, and the linearity error are less than 0.01% over the whole absolute position measurement range. PMID:27187393

  13. Molecular spectroscopy for producing ultracold ground-state NaRb molecules

    NASA Astrophysics Data System (ADS)

    Wang, Dajun; Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    Recently, we have successfully created an ultracold sample of absolute ground-state NaRb molecules by two-photon Raman transfer of weakly bound Feshbach molecules. Here we will present the detailed spectroscopic investigations on both the excited and the rovibrational ground states for finding the two-photon path. For the excited state, we focus on the A1Σ+ /b3 Π singlet and triplet admixture. We discovered an anomalously strong coupling between the Ω =0+ and 0- components which renders efficient population transfer possible. In the ground state, the pure nuclear hyperfine levels have been clearly resolved, which allows us to create molecules in the absolute ground state directly with Raman transfer. This work is jointly supported by Agence Nationale de la Recherche (#ANR-13- IS04-0004-01) and Hong Kong Research Grant Council (#A-CUHK403/13) through the COPOMOL project.

  14. Entropy of the Bose-Einstein-condensate ground state: Correlation versus ground-state entropy

    NASA Astrophysics Data System (ADS)

    Kim, Moochan B.; Svidzinsky, Anatoly; Agarwal, Girish S.; Scully, Marlan O.

    2018-01-01

    Calculation of the entropy of an ideal Bose-Einstein condensate (BEC) in a three-dimensional trap reveals unusual, previously unrecognized, features of the canonical ensemble. It is found that, for any temperature, the entropy of the Bose gas is equal to the entropy of the excited particles although the entropy of the particles in the ground state is nonzero. We explain this by considering the correlations between the ground-state particles and particles in the excited states. These correlations lead to a correlation entropy which is exactly equal to the contribution from the ground state. The correlations themselves arise from the fact that we have a fixed number of particles obeying quantum statistics. We present results for correlation functions between the ground and excited states in a Bose gas, so as to clarify the role of fluctuations in the system. We also report the sub-Poissonian nature of the ground-state fluctuations.

  15. Cavity optomechanics -- beyond the ground state

    NASA Astrophysics Data System (ADS)

    Meystre, Pierre

    2011-05-01

    The coupling of coherent optical systems to micromechanical devices, combined with breakthroughs in nanofabrication and in ultracold science, has opened up the exciting new field of cavity optomechanics. Cooling of the vibrational motion of a broad range on oscillating cantilevers and mirrors near their ground state has been demonstrated, and the ground state of at least one such system has now been reached. Cavity optomechanics offers much promise in addressing fundamental physics questions and in applications such as the detection of feeble forces and fields, or the coherent control of AMO systems and of nanoscale electromechanical devices. However, these applications require taking cavity optomechanics ``beyond the ground state.'' This includes the generation and detection of squeezed and other non-classical states, the transfer of squeezing between electromagnetic fields and motional quadratures, and the development of measurement schemes for the characterization of nanomechanical structures. The talk will present recent ``beyond ground state'' developments in cavity optomechanics. We will show how the magnetic coupling between a mechanical membrane and a BEC - or between a mechanical tuning fork and a nanoscale cantilever - permits to control and monitor the center-of-mass position of the mechanical system, and will comment on the measurement back-action on the membrane motion. We will also discuss of state transfer between optical and microwave fields and micromechanical devices. Work done in collaboration with Dan Goldbaum, Greg Phelps, Keith Schwab, Swati Singh, Steve Steinke, Mehmet Tesgin, and Mukund Vengallatore and supported by ARO, DARPA, NSF, and ONR.

  16. Trapping cold ground state argon atoms.

    PubMed

    Edmunds, P D; Barker, P F

    2014-10-31

    We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39)  C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10)  cm(3) s(-1).

  17. Absolute High-Precision Localisation of an Unmanned Ground Vehicle by Using Real-Time Aerial Video Imagery for Geo-referenced Orthophoto Registration

    NASA Astrophysics Data System (ADS)

    Kuhnert, Lars; Ax, Markus; Langer, Matthias; Nguyen van, Duong; Kuhnert, Klaus-Dieter

    This paper describes an absolute localisation method for an unmanned ground vehicle (UGV) if GPS is unavailable for the vehicle. The basic idea is to combine an unmanned aerial vehicle (UAV) to the ground vehicle and use it as an external sensor platform to achieve an absolute localisation of the robotic team. Beside the discussion of the rather naive method directly using the GPS position of the aerial robot to deduce the ground robot's position the main focus of this paper lies on the indirect usage of the telemetry data of the aerial robot combined with live video images of an onboard camera to realise a registration of local video images with apriori registered orthophotos. This yields to a precise driftless absolute localisation of the unmanned ground vehicle. Experiments with our robotic team (AMOR and PSYCHE) successfully verify this approach.

  18. Spectra of random operators with absolutely continuous integrated density of states

    SciTech Connect

    Rio, Rafael del, E-mail: delrio@iimas.unam.mx, E-mail: delriomagia@gmail.com

    2014-04-15

    The structure of the spectrum of random operators is studied. It is shown that if the density of states measure of some subsets of the spectrum is zero, then these subsets are empty. In particular follows that absolute continuity of the integrated density of states implies singular spectra of ergodic operators is either empty or of positive measure. Our results apply to Anderson and alloy type models, perturbed Landau Hamiltonians, almost periodic potentials, and models which are not ergodic.

  19. Ground Water Atlas of the United States

    USGS Publications Warehouse

    ,

    2000-01-01

    PrefaceThe Ground Water Atlas of the United States presents a comprehensive summary of the Nation's ground-water resources and is a basic reference for the location, geography, geology, and hydrologic characteristics of the major aquifers in the Nation. The information was collected by the U.S. Geological Survey and other agencies during the course of many years of study. Results of the Regional Aquifer-System Analysis Program, a systematic study of the Nation's major aquifers by the U.S. Geological Survey, were used as a major, but not exclusive, source of information of the Atlas. The Atlas, which is designed in a graphical format that is supported by descriptive discussions, includes 13 chapters, each representing areas that collectively cover the 50 States and Puerto Rico, as well as the U.S. Virgin Islands. Each chapter of the Atlas presents and describes hydrogeologic and hydrologic conditions for the major aquifers in each regional area. The scale of the Atlas does not allow portrayal of minor features of the geology or hydrology of each aquifer presented, nor does it include detailed discussion of minor aquifers. Those readers who seek detailed local information for the aquifers will find extensive lists of references at the end of each chapter. The introductory chapter in this volume presents an overview of ground-water conditions Nationwide and gives an example of an aquifer in each of six hydrogeologic settings.

  20. Optical Feshbach resonances and ground-state-molecule production in the RbHg system

    NASA Astrophysics Data System (ADS)

    Borkowski, Mateusz; Muñoz Rodriguez, Rodolfo; Kosicki, Maciej B.; Ciuryło, Roman; Żuchowski, Piotr S.

    2017-12-01

    We present the prospects for photoassociation, optical control of interspecies scattering lengths, and, finally, the production of ultracold absolute ground-state molecules in the Rb+Hg system. We use the state-of-the-art ab initio methods for the calculations of ground- [CCSD(T)] and excited-state (EOM-CCSD) potential curves. The RbHg system, thanks to the wide range of stable Hg bosonic isotopes, offers possibilities for mass tuning of ground-state interactions. The optical lengths describing the strengths of optical Feshbach resonances near the Rb transitions are favorable even at large laser detunings. Ground-state RbHg molecules can be produced with efficiencies ranging from about 20% for deeply bound to at least 50% for weakly bound states close to the dissociation limit. Finally, electronic transitions with favorable Franck-Condon factors can be found for the purposes of a STIRAP transfer of the weakly bound RbHg molecules to the absolute ground state using commercially available lasers.

  1. Shorter unentangled proofs for ground state connectivity

    NASA Astrophysics Data System (ADS)

    Caha, Libor; Nagaj, Daniel; Schwarz, Martin

    2018-07-01

    Can one considerably shorten a proof for a quantum problem by using a protocol with a constant number of unentangled provers? We consider a frustration-free variant of the sf {QCMA}-complete ground state connectivity (GSCON) problem for a system of size n with a proof of superlinear size. We show that we can shorten this proof in sf {QMA}(2): There exists a two-copy, unentangled proof with length of order n, up to logarithmic factors, while the completeness-soundness gap of the new protocol becomes a small inverse polynomial in n.

  2. Spontaneous skyrmion ground states in magnetic metals.

    PubMed

    Rössler, U K; Bogdanov, A N; Pfleiderer, C

    2006-08-17

    Since the 1950s, Heisenberg and others have addressed the problem of how to explain the appearance of countable particles in continuous fields. Stable localized field configurations were searched for an ingredient for a general field theory of elementary particles, but the majority of nonlinear field models were unable to predict them. As an exception, Skyrme succeeded in describing nuclear particles as localized states, so-called 'skyrmions'. Skyrmions are a characteristic of nonlinear continuum models ranging from microscopic to cosmological scales. Skyrmionic states have been found under non-equilibrium conditions, or when stabilized by external fields or the proliferation of topological defects. Examples are Turing patterns in classical liquids, spin textures in quantum Hall magnets, or the blue phases in liquid crystals. However, it has generally been assumed that skyrmions cannot form spontaneous ground states, such as ferromagnetic or antiferromagnetic order, in magnetic materials. Here, we show theoretically that this assumption is wrong and that skyrmion textures may form spontaneously in condensed-matter systems with chiral interactions without the assistance of external fields or the proliferation of defects. We show this within a phenomenological continuum model based on a few material-specific parameters that can be determined experimentally. Our model has a condition not considered before: we allow for softened amplitude variations of the magnetization, characteristic of, for instance, metallic magnets. Our model implies that spontaneous skyrmion lattice ground states may exist generally in a large number of materials, notably at surfaces and in thin films, as well as in bulk compounds, where a lack of space inversion symmetry leads to chiral interactions.

  3. Relative and Absolute Availability of Healthier Food and Beverage Alternatives Across Communities in the United States

    PubMed Central

    Powell, Lisa M.; Rimkus, Leah; Isgor, Zeynep; Barker, Dianne C.; Ohri-Vachaspati, Punam; Chaloupka, Frank

    2014-01-01

    Objectives. We examined associations between the relative and absolute availability of healthier food and beverage alternatives at food stores and community racial/ethnic, socioeconomic, and urban–rural characteristics. Methods. We analyzed pooled, annual cross-sectional data collected in 2010 to 2012 from 8462 food stores in 468 communities spanning 46 US states. Relative availability was the ratio of 7 healthier products (e.g., whole-wheat bread) to less healthy counterparts (e.g., white bread); we based absolute availability on the 7 healthier products. Results. The mean healthier food and beverage ratio was 0.71, indicating that stores averaged 29% fewer healthier than less healthy products. Lower relative availability of healthier alternatives was associated with low-income, Black, and Hispanic communities. Small stores had the largest differences: relative availability of healthier alternatives was 0.61 and 0.60, respectively, for very low-income Black and very low-income Hispanic communities, and 0.74 for very high-income White communities. We found fewer associations between absolute availability of healthier products and community characteristics. Conclusions. Policies to improve the relative availability of healthier alternatives may be needed to improve population health and reduce disparities. PMID:25211721

  4. Ground state of high-density matter

    NASA Technical Reports Server (NTRS)

    Copeland, ED; Kolb, Edward W.; Lee, Kimyeong

    1988-01-01

    It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.

  5. Ground-state energies of simple metals

    NASA Technical Reports Server (NTRS)

    Hammerberg, J.; Ashcroft, N. W.

    1974-01-01

    A structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.

  6. Engineering the Ground State of Complex Oxides

    NASA Astrophysics Data System (ADS)

    Meyers, Derek Joseph

    Transition metal oxides featuring strong electron-electron interactions have been at the forefront of condensed matter physics research in the past few decades due to the myriad of novel and exciting phases derived from their competing interactions. Beyond their numerous intriguing properties displayed in the bulk they have also shown to be quite susceptible to externally applied perturbation in various forms. The dominant theme of this work is the exploration of three emerging methods for engineering the ground states of these materials to access both their applicability and their deficiencies. The first of the three methods involves a relatively new set of compounds which adhere to a unique paradigm in chemical doping, a-site ordered perovskites. These compounds are iso-structural, i.e. constant symmetry, despite changing the dopant ions. We find that these materials, featuring Cu at the doped A-site, display the Zhang-Rice state, to varying degrees, found in high temperature superconducting cuprates, with the choice of B-site allowing "self-doping" within the material. Further, we find that within CaCu3Ir 4O12 the Cu gains a localized magnetic moment and leads to the experimentally observed heavy fermion state in the materials, one of only two such non-f-electron heavy fermion materials. Next, epitaxial constraint is used to modify the ground state of the rare-earth nickelates in ultra thin film form. Application of compressive (tensile) strain is found to suppress (maintain) the temperature at which the material goes through a Mott metal-insulator transition. Further, while for EuNiO3 thin films the typical bulk-like magnetic and charge ordering is found to occur, epitaxial strain is found to suppress the charge ordering in NdNiO3 thin films due to pinning to the substrate and the relatively weak tendency to monoclinically distort. Finally, the creation of superlattices of EuNiO3 and LaNiO3 was shown to not only allow the selection of the temperature at which

  7. Excited-state structure and electronic dephasing time of Nile blue from absolute resonance Raman intensities

    NASA Astrophysics Data System (ADS)

    Lawless, Mary K.; Mathies, Richard A.

    1992-06-01

    Absolute resonance Raman cross sections are measured for Nile blue 690 perchlorate dissolved in ethylene glycol with excitation at 514, 531, and 568 nm. These values and the absorption spectrum are modeled using a time-dependent wave packet formalism. The excited-state equilibrium geometry changes are quantitated for 40 resonance Raman active modes, seven of which (590, 1141, 1351, 1429, 1492, 1544, and 1640 cm-1 ) carry 70% of the total resonance Raman intensity. This demonstrates that in addition to the prominent 590 and 1640 cm-1 modes, a large number of vibrational degrees of freedom are Franck-Condon coupled to the electronic transition. After exposure of the explicit vibrational progressions, the residual absorption linewidth is separated into its homogeneous [350 cm-1 half-width at half-maximum (HWHM)] and inhomogeneous (313 cm-1 HWHM) components through an analysis of the absolute Raman cross sections. The value of the electronic dephasing time derived from this study (25 fs) compares well to previously published results. These data should be valuable in multimode modeling of femtosecond experiments on Nile blue.

  8. Is the ground state of Yang-Mills theory Coulombic?

    NASA Astrophysics Data System (ADS)

    Heinzl, T.; Ilderton, A.; Langfeld, K.; Lavelle, M.; Lutz, W.; McMullan, D.

    2008-08-01

    We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-Abelian Coulomb fields is found to have a good overlap with the ground state for all charge separations. In fact, the overlap increases as the lattice regulator is removed. This opens up the possibility that the Coulomb state is the true ground state in the continuum limit.

  9. Magnetic ground state of FeSe

    PubMed Central

    Wang, Qisi; Shen, Yao; Pan, Bingying; Zhang, Xiaowen; Ikeuchi, K.; Iida, K.; Christianson, A. D.; Walker, H. C.; Adroja, D. T.; Abdel-Hafiez, M.; Chen, Xiaojia; Chareev, D. A.; Vasiliev, A. N.; Zhao, Jun

    2016-01-01

    Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit Néel and stripe magnetic order, respectively. However, FeSe, the structurally simplest iron-based superconductor, shows nematic order (Ts=90 K), but not magnetic order in the parent phase, and its magnetic ground state is intensely debated. Here we report inelastic neutron-scattering experiments that reveal both stripe and Néel spin fluctuations over a wide energy range at 110 K. On entering the nematic phase, a substantial amount of spectral weight is transferred from the Néel to the stripe spin fluctuations. Moreover, the total fluctuating magnetic moment of FeSe is ∼60% larger than that in the iron pnictide BaFe2As2. Our results suggest that FeSe is a novel S=1 nematic quantum-disordered paramagnet interpolating between the Néel and stripe magnetic instabilities. PMID:27431986

  10. Magnetic ground state of FeSe.

    PubMed

    Wang, Qisi; Shen, Yao; Pan, Bingying; Zhang, Xiaowen; Ikeuchi, K; Iida, K; Christianson, A D; Walker, H C; Adroja, D T; Abdel-Hafiez, M; Chen, Xiaojia; Chareev, D A; Vasiliev, A N; Zhao, Jun

    2016-07-19

    Elucidating the nature of the magnetism of a high-temperature superconductor is crucial for establishing its pairing mechanism. The parent compounds of the cuprate and iron-pnictide superconductors exhibit Néel and stripe magnetic order, respectively. However, FeSe, the structurally simplest iron-based superconductor, shows nematic order (Ts=90 K), but not magnetic order in the parent phase, and its magnetic ground state is intensely debated. Here we report inelastic neutron-scattering experiments that reveal both stripe and Néel spin fluctuations over a wide energy range at 110 K. On entering the nematic phase, a substantial amount of spectral weight is transferred from the Néel to the stripe spin fluctuations. Moreover, the total fluctuating magnetic moment of FeSe is ∼60% larger than that in the iron pnictide BaFe2As2. Our results suggest that FeSe is a novel S=1 nematic quantum-disordered paramagnet interpolating between the Néel and stripe magnetic instabilities.

  11. Ground State and Finite Temperature Lanczos Methods

    NASA Astrophysics Data System (ADS)

    Prelovšek, P.; Bonča, J.

    The present review will focus on recent development of exact- diagonalization (ED) methods that use Lanczos algorithm to transform large sparse matrices onto the tridiagonal form. We begin with a review of basic principles of the Lanczos method for computing ground-state static as well as dynamical properties. Next, generalization to finite-temperatures in the form of well established finite-temperature Lanczos method is described. The latter allows for the evaluation of temperatures T>0 static and dynamic quantities within various correlated models. Several extensions and modification of the latter method introduced more recently are analysed. In particular, the low-temperature Lanczos method and the microcanonical Lanczos method, especially applicable within the high-T regime. In order to overcome the problems of exponentially growing Hilbert spaces that prevent ED calculations on larger lattices, different approaches based on Lanczos diagonalization within the reduced basis have been developed. In this context, recently developed method based on ED within a limited functional space is reviewed. Finally, we briefly discuss the real-time evolution of correlated systems far from equilibrium, which can be simulated using the ED and Lanczos-based methods, as well as approaches based on the diagonalization in a reduced basis.

  12. Creation of a strongly dipolar gas of ultracold ground-state 23 Na87 Rb molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Wang, Dajun; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    We report on successful creation of an ultracold sample of ground-state 23 Na87 Rb molecules with a large effective electric dipole moment. Through a carefully designed two-photon Raman process, we have successfully transferred the magneto-associated Feshbach molecules to the singlet ground state with high efficiency, obtaining up to 8000 23 Na87 Rb molecules with peak number density over 1011 cm-3 in their absolute ground-state level. With an external electric field, we have induced an effective dipole moment over 1 Debye, making 23 Na87 Rb the most dipolar ultracold particle ever achieved. Contrary to the expectation, we observed a rather fast population loss even for 23 Na87 Rb in the absolute ground state with the bi-molecular exchange reaction energetically forbidden. The origin for the short lifetime and possible ways of mitigating it are currently under investigation. Our achievements pave the way toward investigation of ultracold bosonic molecules with strong dipolar interactions. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

  13. Absolute 1* quantum yields for the ICN A state by diode laser gain versus absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Hess, Wayne P.; Leone, Stephen R.

    1987-01-01

    Absolute I* quantum yields were measured as a function of wavelength for room temperature photodissociation of the ICN A state continuum. The temperature yields are obtained by the technique of time-resolved diode laser gain-versus-absorption spectroscopy. Quantum yields are evaluated at seven wavelengths from 248 to 284 nm. The yield at 266 nm is 66.0 +/- 2% and it falls off to 53.4 +/- 2% and 44.0 +/- 4% at 284 and 248 respectively. The latter values are significantly higher than those obtained by previous workers using infrared fluorescence. Estimates of I* quantum yields obtained from analysis of CN photofragment rotational distributions, as discussed by other workers, are in good agreement with the I* yields. The results are considered in conjunction with recent theoretical and experimental work on the CN rotational distributions and with previous I* yield results.

  14. Ground-state coding in partially connected neural networks

    NASA Technical Reports Server (NTRS)

    Baram, Yoram

    1989-01-01

    Patterns over (-1,0,1) define, by their outer products, partially connected neural networks, consisting of internally strongly connected, externally weakly connected subnetworks. The connectivity patterns may have highly organized structures, such as lattices and fractal trees or nests. Subpatterns over (-1,1) define the subcodes stored in the subnetwork, that agree in their common bits. It is first shown that the code words are locally stable stares of the network, provided that each of the subcodes consists of mutually orthogonal words or of, at most, two words. Then it is shown that if each of the subcodes consists of two orthogonal words, the code words are the unique ground states (absolute minima) of the Hamiltonian associated with the network. The regions of attraction associated with the code words are shown to grow with the number of subnetworks sharing each of the neurons. Depending on the particular network architecture, the code sizes of partially connected networks can be vastly greater than those of fully connected ones and their error correction capabilities can be significantly greater than those of the disconnected subnetworks. The codes associated with lattice-structured and hierarchical networks are discussed in some detail.

  15. Easy Absolute Values? Absolutely

    ERIC Educational Resources Information Center

    Taylor, Sharon E.; Mittag, Kathleen Cage

    2015-01-01

    The authors teach a problem-solving course for preservice middle-grades education majors that includes concepts dealing with absolute-value computations, equations, and inequalities. Many of these students like mathematics and plan to teach it, so they are adept at symbolic manipulations. Getting them to think differently about a concept that they…

  16. Classical many-particle systems with unique disordered ground states

    NASA Astrophysics Data System (ADS)

    Zhang, G.; Stillinger, F. H.; Torquato, S.

    2017-10-01

    Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By contrast, the few previously known disordered classical ground states of many-particle systems are all high-entropy (highly degenerate) states. Here we show computationally that our recently proposed "perfect-glass" many-particle model [Sci. Rep. 6, 36963 (2016), 10.1038/srep36963] possesses disordered classical ground states with a zero entropy: a highly counterintuitive situation . For all of the system sizes, parameters, and space dimensions that we have numerically investigated, the disordered ground states are unique such that they can always be superposed onto each other or their mirror image. At low energies, the density of states obtained from simulations matches those calculated from the harmonic approximation near a single ground state, further confirming ground-state uniqueness. Our discovery provides singular examples in which entropy and disorder are at odds with one another. The zero-entropy ground states provide a unique perspective on the celebrated Kauzmann-entropy crisis in which the extrapolated entropy of a supercooled liquid drops below that of the crystal. We expect that our disordered unique patterns to be of value in fields beyond glass physics, including applications in cryptography as pseudorandom functions with tunable computational complexity.

  17. Effects of temperature on the ground state of a strongly-coupling magnetic polaron and mean phonon number in RbCl quantum pseudodot

    NASA Astrophysics Data System (ADS)

    Sun, Yong; Ding, Zhao-Hua; Xiao, Jing-Lin

    2016-07-01

    On the condition of strong electron-LO phonon coupling in a RbCl quantum pseudodot (QPD), the ground state energy and the mean number of phonons are calculated by using the Pekar variational method and quantum statistical theory. The variations of the ground state energy and the mean number with respect to the temperature and the cyclotron frequency of the magnetic field are studied in detail. We find that the absolute value of the ground state energy increases (decreases) with increasing temperature when the temperature is in the lower (higher) temperature region, and that the mean number increases with increasing temperature. The absolute value of the ground state energy is a decreasing function of the cyclotron frequency of the magnetic field whereas the mean number is an increasing function of it. We find two ways to tune the ground state energy and the mean number: controlling the temperature and controlling the cyclotron frequency of the magnetic field.

  18. Absolute equation of state measurements up to a gigbar using a converging shock

    NASA Astrophysics Data System (ADS)

    Kostinski, Natalie; Swift, Damian; Kritcher, Andrea; Lazicki, Amy; Hawreliak, James; Doeppner, Tilo; Saunders, Alison; Bachmann, Benjamin; Collins, Gilbert; Falcone, Roger; Nilsen, Joseph

    2017-10-01

    We are developing laser-driven loading platforms that allow the equation of state (EOS) of matter to be measured to pressures above 10 TPa on the Omega laser and 80 TPa at the National Ignition Facility respectively. These pressures are reached using a spherically-converging shock, with x-ray radiography as the primary diagnostic, enabling absolute EOS measurements to be made. At pressures above 10 TPa, the x-ray opacity drops significantly because of k-shell ionization. Superficially, this would prevent the compression from being measured, but radiographic marker layers can be used to constrain the reconstructed object and enable the opacity and compression to be determined simultaneously. Using these techniques, we have measured the Hugoniot EOS of polystyrene, diamond, and boron to over 50 TPa respectively, enabling their use as reference materials for relative measurements of materials more opaque to x-rays. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  19. Antibonding ground state of adatom molecules in bulk Dirac semimetals

    NASA Astrophysics Data System (ADS)

    Marques, Y.; Obispo, A. E.; Ricco, L. S.; de Souza, M.; Shelykh, I. A.; Seridonio, A. C.

    2017-07-01

    The ground state of the diatomic molecules in nature is inevitably bonding, and its first excited state is antibonding. We demonstrate theoretically that, for a pair of distant adatoms placed buried in three-dimensional-Dirac semimetals, this natural order of the states can be reversed and an antibonding ground state occurs at the lowest energy of the so-called bound states in the continuum. We propose an experimental protocol with the use of a scanning tunneling microscope tip to visualize the topographic map of the local density of states on the surface of the system to reveal the emerging physics.

  20. On the ground state of Yang-Mills theory

    NASA Astrophysics Data System (ADS)

    Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.

    2011-08-01

    We investigate the overlap of the ground state meson potential with sets of mesonic-trial wave functions corresponding to different gluonic distributions. We probe the transverse structure of the flux tube through the creation of non-uniform smearing profiles for the string of glue connecting two color sources in Wilson loop operator. The non-uniformly UV-regulated flux-tube operators are found to optimize the overlap with the ground state and display interesting features in the ground state overlap.

  1. Analysis of ground state in random bipartite matching

    NASA Astrophysics Data System (ADS)

    Shi, Gui-Yuan; Kong, Yi-Xiu; Liao, Hao; Zhang, Yi-Cheng

    2016-02-01

    Bipartite matching problems emerge in many human social phenomena. In this paper, we study the ground state of the Gale-Shapley model, which is the most popular bipartite matching model. We apply the Kuhn-Munkres algorithm to compute the numerical ground state of the model. For the first time, we obtain the number of blocking pairs which is a measure of the system instability. We also show that the number of blocking pairs formed by each person follows a geometric distribution. Furthermore, we study how the connectivity in the bipartite matching problems influences the instability of the ground state.

  2. GROUND-WATER POLLUTION PROBLEMS IN THE SOUTHEASTERN UNITED STATES

    EPA Science Inventory

    An evaluation of principal sources of ground-water contamination has been carried out in seven southeastern States--Alabama, Florida, Georgia, Mississippi, North Carolina, South Carolina, and Virginia. Natural ground-water quality is good to excellent, except for the presence of ...

  3. Resting state functional connectivity of the ventral auditory pathway in musicians with absolute pitch.

    PubMed

    Kim, Seung-Goo; Knösche, Thomas R

    2017-08-01

    Absolute pitch (AP) is the ability to recognize pitch chroma of tonal sound without external references, providing a unique model of the human auditory system (Zatorre: Nat Neurosci 6 () 692-695). In a previous study (Kim and Knösche: Hum Brain Mapp () 3486-3501), we identified enhanced intracortical myelination in the right planum polare (PP) in musicians with AP, which could be a potential site for perceptional processing of pitch chroma information. We speculated that this area, which initiates the ventral auditory pathway, might be crucially involved in the perceptual stage of the AP process in the context of the "dual pathway hypothesis" that suggests the role of the ventral pathway in processing nonspatial information related to the identity of an auditory object (Rauschecker: Eur J Neurosci 41 () 579-585). To test our conjecture on the ventral pathway, we investigated resting state functional connectivity (RSFC) using functional magnetic resonance imaging (fMRI) from musicians with varying degrees of AP. Should our hypothesis be correct, RSFC via the ventral pathway is expected to be stronger in musicians with AP, whereas such group effect is not predicted in the RSFC via the dorsal pathway. In the current data, we found greater RSFC between the right PP and bilateral anteroventral auditory cortices in musicians with AP. In contrast, we did not find any group difference in the RSFC of the planum temporale (PT) between musicians with and without AP. We believe that these findings support our conjecture on the critical role of the ventral pathway in AP recognition. Hum Brain Mapp 38:3899-3916, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  4. Ground states of baryoleptonic Q-balls in supersymmetric models

    SciTech Connect

    Shoemaker, Ian M.; Kusenko, Alexander

    2008-10-01

    In supersymmetric generalizations of the standard model, all stable Q-balls are associated with some flat directions. We show that, if the flat direction has both the baryon number and the lepton number, the scalar field inside the Q-ball can deviate slightly from the flat direction in the ground state. We identify the true ground states of such nontopological solitons, including the electrically neutral and electrically charged Q-balls.

  5. Theory of ground state factorization in quantum cooperative systems.

    PubMed

    Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio

    2008-05-16

    We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.

  6. STATE WATER RESOURCES RESEARCH INSTITUTE PROGRAM: GROUND WATER RESEARCH.

    USGS Publications Warehouse

    Burton, James S.; ,

    1985-01-01

    This paper updates a review of the accomplishments of the State Water Resources Research Program in ground water contamination research. The aim is to assess the progress made towards understanding the mechanisms of ground water contamination and based on this understanding, to suggest procedures for the prevention and control of ground water contamination. The following research areas are covered: (1) mechanisms of organic contaminant transport in the subsurface environment; (2) bacterial and viral contamination of ground water from landfills and septic tank systems; (3) fate and persistence of pesticides in the subsurface; (4) leachability and transport of ground water pollutants from coal production and utilization; and (5) pollution of ground water from mineral mining activities.

  7. Toward Triplet Ground State NaLi Molecules

    NASA Astrophysics Data System (ADS)

    Ebadi, Sepehr; Jamison, Alan; Rvachov, Timur; Jing, Li; Son, Hyungmok; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang

    2016-05-01

    The NaLi molecule is expected to have a long lifetime in the triplet ground-state due to its fermionic nature, large rotational constant, and weak spin-orbit coupling. The triplet state has both electric and magnetic dipole moments, affording unique opportunities in quantum simulation and ultracold chemistry. We have mapped the excited state NaLi triplet potential by means of photoassociation spectroscopy. We report on this and our further progress toward the creation of the triplet ground-state molecules using STIRAP. NSF, ARO-MURI, Samsung, NSERC.

  8. Ground-Water Availability in the United States

    USGS Publications Warehouse

    Reilly, Thomas E.; Dennehy, Kevin F.; Alley, William M.; Cunningham, William L.

    2008-01-01

    Ground water is among the Nation's most important natural resources. It provides half our drinking water and is essential to the vitality of agriculture and industry, as well as to the health of rivers, wetlands, and estuaries throughout the country. Large-scale development of ground-water resources with accompanying declines in ground-water levels and other effects of pumping has led to concerns about the future availability of ground water to meet domestic, agricultural, industrial, and environmental needs. The challenges in determining ground-water availability are many. This report examines what is known about the Nation's ground-water availability and outlines a program of study by the U.S. Geological Survey Ground-Water Resources Program to improve our understanding of ground-water availability in major aquifers across the Nation. The approach is designed to provide useful regional information for State and local agencies who manage ground-water resources, while providing the building blocks for a national assessment. The report is written for a wide audience interested or involved in the management, protection, and sustainable use of the Nation's water resources.

  9. Nature of ground and electronic excited states of higher acenes

    PubMed Central

    Yang, Yang; Yang, Weitao

    2016-01-01

    Higher acenes have drawn much attention as promising organic semiconductors with versatile electronic properties. However, the nature of their ground state and electronic excited states is still not fully clear. Their unusual chemical reactivity and instability are the main obstacles for experimental studies, and the potentially prominent diradical character, which might require a multireference description in such large systems, hinders theoretical investigations. Here, we provide a detailed answer with the particle–particle random-phase approximation calculation. The 1Ag ground states of acenes up to decacene are on the closed-shell side of the diradical continuum, whereas the ground state of undecacene and dodecacene tilts more to the open-shell side with a growing polyradical character. The ground state of all acenes has covalent nature with respect to both short and long axes. The lowest triplet state 3B2u is always above the singlet ground state even though the energy gap could be vanishingly small in the polyacene limit. The bright singlet excited state 1B2u is a zwitterionic state to the short axis. The excited 1Ag state gradually switches from a double-excitation state to another zwitterionic state to the short axis, but always keeps its covalent nature to the long axis. An energy crossing between the 1B2u and excited 1Ag states happens between hexacene and heptacene. Further energetic consideration suggests that higher acenes are likely to undergo singlet fission with a low photovoltaic efficiency; however, the efficiency might be improved if a singlet fission into multiple triplets could be achieved. PMID:27528690

  10. Temperature Effect of Hydrogen-Like Impurity on the Ground State Energy of Strong Coupling Polaron in a RbCl Quantum Pseudodot

    NASA Astrophysics Data System (ADS)

    Xiao, Jing-Lin

    2016-11-01

    We study the ground state energy and the mean number of LO phonons of the strong-coupling polaron in a RbCl quantum pseudodot (QPD) with hydrogen-like impurity at the center. The variations of the ground state energy and the mean number of LO phonons with the temperature and the strength of the Coulombic impurity potential are obtained by employing the variational method of Pekar type and the quantum statistical theory (VMPTQST). Our numerical results have displayed that [InlineMediaObject not available: see fulltext.] the absolute value of the ground state energy increases (decreases) when the temperature increases at lower (higher) temperature regime, [InlineMediaObject not available: see fulltext.] the mean number of the LO phonons increases with increasing temperature, [InlineMediaObject not available: see fulltext.] the absolute value of ground state energy and the mean number of LO phonons are increasing functions of the strength of the Coulombic impurity potential.

  11. Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance

    PubMed Central

    Li, Zhaokai; Yung, Man-Hong; Chen, Hongwei; Lu, Dawei; Whitfield, James D.; Peng, Xinhua; Aspuru-Guzik, Alán; Du, Jiangfeng

    2011-01-01

    Quantum ground-state problems are computationally hard problems for general many-body Hamiltonians; there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating the ground state is available, as often happens for many problems in physics and chemistry, a quantum computer could employ this trial wavefunction to project the ground state by means of the phase estimation algorithm (PEA). We performed an experimental realization of this idea by implementing a variational-wavefunction approach to solve the ground-state problem of the Heisenberg spin model with an NMR quantum simulator. Our iterative phase estimation procedure yields a high accuracy for the eigenenergies (to the 10−5 decimal digit). The ground-state fidelity was distilled to be more than 80%, and the singlet-to-triplet switching near the critical field is reliably captured. This result shows that quantum simulators can better leverage classical trial wave functions than classical computers PMID:22355607

  12. Probing quantum frustrated systems via factorization of the ground state.

    PubMed

    Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio

    2010-05-21

    The existence of definite orders in frustrated quantum systems is related rigorously to the occurrence of fully factorized ground states below a threshold value of the frustration. Ground-state separability thus provides a natural measure of frustration: strongly frustrated systems are those that cannot accommodate for classical-like solutions. The exact form of the factorized ground states and the critical frustration are determined for various classes of nonexactly solvable spin models with different spatial ranges of the interactions. For weak frustration, the existence of disentangling transitions determines the range of applicability of mean-field descriptions in biological and physical problems such as stochastic gene expression and the stability of long-period modulated structures.

  13. Fast Preparation of Critical Ground States Using Superluminal Fronts

    NASA Astrophysics Data System (ADS)

    Agarwal, Kartiek; Bhatt, R. N.; Sondhi, S. L.

    2018-05-01

    We propose a spatiotemporal quench protocol that allows for the fast preparation of ground states of gapless models with Lorentz invariance. Assuming the system initially resides in the ground state of a corresponding massive model, we show that a superluminally moving "front" that locally quenches the mass, leaves behind it (in space) a state arbitrarily close to the ground state of the gapless model. Importantly, our protocol takes time O (L ) to produce the ground state of a system of size ˜Ld (d spatial dimensions), while a fully adiabatic protocol requires time ˜O (L2) to produce a state with exponential accuracy in L . The physics of the dynamical problem can be understood in terms of relativistic rarefaction of excitations generated by the mass front. We provide proof of concept by solving the proposed quench exactly for a system of free bosons in arbitrary dimensions, and for free fermions in d =1 . We discuss the role of interactions and UV effects on the free-theory idealization, before numerically illustrating the usefulness of the approach via simulations on the quantum Heisenberg spin chain.

  14. Coherent Control of Ground State NaK Molecules

    NASA Astrophysics Data System (ADS)

    Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin

    2016-05-01

    Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE

  15. Ground-state energy of HeH+

    NASA Astrophysics Data System (ADS)

    Zhou, Bing-Lu; Zhu, Jiong-Ming; Yan, Zong-Chao

    2006-06-01

    The nonrelativistic ground-state energy of He4H+ is calculated using a variational method in Hylleraas coordinates. Convergence to a few parts in 1010 is achieved, which improves the best previous result of Pavanello [J. Chem. Phys. 123, 104306 (2005)]. Expectation values of the interparticle distances are evaluated. Similar results for He3H+ are also presented.

  16. Advantages of Unfair Quantum Ground-State Sampling.

    PubMed

    Zhang, Brian Hu; Wagenbreth, Gene; Martin-Mayor, Victor; Hen, Itay

    2017-04-21

    The debate around the potential superiority of quantum annealers over their classical counterparts has been ongoing since the inception of the field. Recent technological breakthroughs, which have led to the manufacture of experimental prototypes of quantum annealing optimizers with sizes approaching the practical regime, have reignited this discussion. However, the demonstration of quantum annealing speedups remains to this day an elusive albeit coveted goal. We examine the power of quantum annealers to provide a different type of quantum enhancement of practical relevance, namely, their ability to serve as useful samplers from the ground-state manifolds of combinatorial optimization problems. We study, both numerically by simulating stoquastic and non-stoquastic quantum annealing processes, and experimentally, using a prototypical quantum annealing processor, the ability of quantum annealers to sample the ground-states of spin glasses differently than thermal samplers. We demonstrate that (i) quantum annealers sample the ground-state manifolds of spin glasses very differently than thermal optimizers (ii) the nature of the quantum fluctuations driving the annealing process has a decisive effect on the final distribution, and (iii) the experimental quantum annealer samples ground-state manifolds significantly differently than thermal and ideal quantum annealers. We illustrate how quantum annealers may serve as powerful tools when complementing standard sampling algorithms.

  17. Nuclear ground-state masses and deformations: FRDM(2012)

    DOE PAGES

    Moller, P.; Sierk, A. J.; Ichikawa, T.; ...

    2016-03-25

    Here, we tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from 16O to A=339. The calculations are based on the finite-range droplet macroscopic and the folded-Yukawa single-particle microscopic nuclear-structure models, which are completely specified. Relative to our FRDM(1992) mass table in Möller et al. (1995), the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensivemore » and more accurate experimental mass data base now available allow us to determine one additional macroscopic-model parameter, the density-symmetry coefficient LL, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some highly deformed shapes occurring in fission, because some effects are derived in terms of perturbations around a sphere, we only adjust its macroscopic parameters to ground-state masses.« less

  18. Arsenic in Ground Water of the United States

    MedlinePlus

    ... a hard problem : Geotimes Newsmagazine of the Earth Sciences, v.46 no.11, p.34-36. (2001) DATA Arsenic in ground-water resources of the United States : U.S. Geological Survey Fact Sheet 063-00. (2000) A retrospective analysis on ...

  19. Evidence for Absolute Moral Opposition to Genetically Modified Food in the United States.

    PubMed

    Scott, Sydney E; Inbar, Yoel; Rozin, Paul

    2016-05-01

    Public opposition to genetic modification (GM) technology in the food domain is widespread (Frewer et al., 2013). In a survey of U.S. residents representative of the population on gender, age, and income, 64% opposed GM, and 71% of GM opponents (45% of the entire sample) were "absolutely" opposed-that is, they agreed that GM should be prohibited no matter the risks and benefits. "Absolutist" opponents were more disgust sensitive in general and more disgusted by the consumption of genetically modified food than were non-absolutist opponents or supporters. Furthermore, disgust predicted support for legal restrictions on genetically modified foods, even after controlling for explicit risk-benefit assessments. This research suggests that many opponents are evidence insensitive and will not be influenced by arguments about risks and benefits. © The Author(s) 2016.

  20. FeRh ground state and martensitic transformation

    DOE PAGES

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2018-01-09

    Cubic B2 FeRh exhibits a metamagnetic transition [(111) antiferromagnet (AFM) to ferromagnet (FM)] around 353 K and remains structurally stable at higher temperatures. However, the calculated zero-Kelvin phonons of AFM FeRh exhibit imaginary modes at M points in the Brillouin zone, indicating a premartensitic instability, which is a precursor to a martensitic transformation at low temperatures. Combining electronic-structure calculations with ab initio molecular dynamics, conjugate gradient relaxation, and the solid-state nudged-elastic band methods, we predict that AFM B2 FeRh becomes unstable at ambient pressure and transforms without a barrier to an AFM(111) orthorhombic (martensitic) ground state below 90±10K. In conclusion,more » we also consider competing structures, in particular, a tetragonal AFM(100) phase that is not the global ground state, as proposed, but a constrained solution.« less

  1. FeRh ground state and martensitic transformation

    NASA Astrophysics Data System (ADS)

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2018-01-01

    Cubic B 2 FeRh exhibits a metamagnetic transition [(111) antiferromagnet (AFM) to ferromagnet (FM)] around 353 K and remains structurally stable at higher temperatures. However, the calculated zero-Kelvin phonons of AFM FeRh exhibit imaginary modes at M points in the Brillouin zone, indicating a premartensitic instability, which is a precursor to a martensitic transformation at low temperatures. Combining electronic-structure calculations with ab initio molecular dynamics, conjugate gradient relaxation, and the solid-state nudged-elastic band methods, we predict that AFM B 2 FeRh becomes unstable at ambient pressure and transforms without a barrier to an AFM(111) orthorhombic (martensitic) ground state below 90 ±10 K . We also consider competing structures, in particular, a tetragonal AFM(100) phase that is not the global ground state, as proposed [Phys. Rev. B 94, 180407(R) (2016), 10.1103/PhysRevB.94.180407], but a constrained solution.

  2. Absolute Equation-of-State Measurement for Polystyrene from 25 - 60 Mbar Using a Spherically Converging Shock Wave

    SciTech Connect

    Glenzer, Siegfried

    We have developed an experimental platform for the National Ignition Facility (NIF) that uses spherically converging shock waves for absolute equation of state (EOS) measurements along the principal Hugoniot. In this Letter we present radiographic compression measurements for polystyrene that were taken at shock pressures reaching 60 Mbar (6 TPa). This significantly exceeds previously published results obtained on the Nova laser [Cauble et al., Phys. Rev. Lett. 80, 1248 (1998)] at strongly improved precision, allowing to discriminate between different EOS models. We find excellent agreement with Kohn-Sham Density Functional Theory based molecular dynamics simulations.

  3. Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole

    SciTech Connect

    Wilke, Josefin; Wilke, Martin; Schmitt, Michael, E-mail: mschmitt@uni-duesseldorf.de

    2016-01-28

    The dipole moments of the ground and lowest electronically excited singlet state of 5-methoxyindole have been determined by means of optical Stark spectroscopy in a molecular beam. The resulting spectra arise from a superposition of different field configurations, one with the static electric field almost parallel to the polarization of the exciting laser radiation, the other nearly perpendicular. Each field configuration leads to different intensities in the rovibronic spectrum. With an automated evolutionary algorithm approach, the spectra can be fit and the ratio of both field configurations can be determined. A simultaneous fit of two spectra with both field configurationsmore » improved the precision of the dipole moment determination by a factor of two. We find a reduction of the absolute dipole moment from 1.59(3) D to 1.14(6) D upon electronic excitation to the lowest electronically excited singlet state. At the same time, the dipole moment orientation rotates by 54{sup ∘} showing the importance of the determination of the dipole moment components. The dipole moment in the electronic ground state can approximately be obtained from a vector addition of the indole and the methoxy group dipole moments. However, in the electronically excited state, vector addition completely fails to describe the observed dipole moment. Several reasons for this behavior are discussed.« less

  4. Mixed configuration ground state in iron(II) phthalocyanine

    SciTech Connect

    Fernández-Rodríguez, Javier; Toby, Brian; van Veenendaal, Michel

    2015-06-01

    We calculate the angular dependence of the x-ray linear and circular dichroism at the L2,3 edges of α-Fe(II) Phthalocyanine (FePc) thin films using a ligand-field model with full configuration interaction. We find the best agreement with the experimental spectra for a mixed ground state of 3E (a2 e3b1 ) and 3B (a1 e4b1 ) g 1g g 2g 2g 1g g 2g with the two configurations coupled by the spin-orbit interaction. The 3Eg(b) and 3B2g states have easy-axis and easy-plane anisotropies, respectively. Our model accounts for an easy-plane magnetic anisotropy and the measured magnitudes of the in-plane orbital and spinmore » moments. The proximity in energy of the two configurations allows a switching of the magnetic anisotropy from easy plane to easy axis with a small change in the crystal field, as recently observed for FePc adsorbed on an oxidized Cu surface. We also discuss the possibility of a quintet ground state (5A1g is 250 meV above the ground state) with planar anisotropy by manipulation of the Fe-C bond length by depositing the complex on a substrate that is subjected to a mechanical strain.« less

  5. Cluster expansion for ground states of local Hamiltonians

    NASA Astrophysics Data System (ADS)

    Bastianello, Alvise; Sotiriadis, Spyros

    2016-08-01

    A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.

  6. Absolute Steady-State Thermal Conductivity Measurements by Use of a Transient Hot-Wire System.

    PubMed

    Roder, H M; Perkins, R A; Laesecke, A; Nieto de Castro, C A

    2000-01-01

    A transient hot-wire apparatus was used to measure the thermal conductivity of argon with both steady-state and transient methods. The effects of wire diameter, eccentricity of the wire in the cavity, axial conduction, and natural convection were accounted for in the analysis of the steady-state measurements. Based on measurements on argon, the relative uncertainty at the 95 % level of confidence of the new steady-state measurements is 2 % at low densities. Using the same hot wires, the relative uncertainty of the transient measurements is 1 % at the 95 % level of confidence. This is the first report of thermal conductivity measurements made by two different methods in the same apparatus. The steady-state method is shown to complement normal transient measurements at low densities, particularly for fluids where the thermophysical properties at low densities are not known with high accuracy.

  7. Tuning the Ground State Symmetry of Acetylenyl Radicals

    PubMed Central

    2015-01-01

    The lowest excited state of the acetylenyl radical, HCC, is a 2Π state, only 0.46 eV above the ground state, 2Σ+. The promotion of an electron from a π bond pair to a singly occupied σ hybrid orbital is all that is involved, and so we set out to tune those orbital energies, and with them the relative energetics of 2Π and 2Σ+ states. A strategy of varying ligand electronegativity, employed in a previous study on substituted carbynes, RC, was useful, but proved more difficult to apply for substituted acetylenyl radicals, RCC. However, π-donor/acceptor substitution is effective in modifying the state energies. We are able to design molecules with 2Π ground states (NaOCC, H2NCC (2A″), HCSi, FCSi, etc.) and vary the 2Σ+–2Π energy gap over a 4 eV range. We find an inconsistency between bond order and bond dissociation energy measures of the bond strength in the Si-containing molecules; we provide an explanation through an analysis of the relevant potential energy curves. PMID:27162981

  8. Photoionization of furan from the ground and excited electronic states.

    PubMed

    Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

    2016-02-28

    Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

  9. Ground-state energy of HeH{sup +}

    SciTech Connect

    Zhou Binglu; Zhu Jiongming; Yan Zongchao

    2006-06-15

    The nonrelativistic ground-state energy of {sup 4}HeH{sup +} is calculated using a variational method in Hylleraas coordinates. Convergence to a few parts in 10{sup 10} is achieved, which improves the best previous result of Pavanello et al. [J. Chem. Phys. 123, 104306 (2005)]. Expectation values of the interparticle distances are evaluated. Similar results for {sup 3}HeH{sup +} are also presented.

  10. Structure and Symmetry of Ground States of Colloidal Clusters

    NASA Astrophysics Data System (ADS)

    Klein, Ellen D.; Rogers, W. Benjamin; Manoharan, Vinothan N.

    We experimentally study colloidal clusters consisting of 6 to 100 spherical particles bound together with short range, DNA-mediated attractions. These clusters are a model system for understanding colloidal self-assembly and dynamics, since the positions and motion of all particles can be observed in real space. For 10 particles and fewer, the ground states are degenerate, and, as shown in previous work, the probabilities of observing specific clusters depend primarily on their rotational entropy, which is determined by symmetry. Thus less symmetric structures are more frequently observed. However, for larger numbers of particles the ground states appear to be subsets of close-packed lattices, which tend to have higher symmetry. To understand how this transition occurs as a function of the number of particles, we coat colloidal particles with complementary DNA strands that induce a short-range, temperature-dependent interparticle attraction. We then assemble and anneal an ensemble of clusters with 10 or more particles. We characterize the number of apparent ground states, their symmetries, and their probabilities as a function of the size of the cluster using confocal microscopy. This work is supported by NSF DMR-1306410. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program.

  11. Variable energy, high flux, ground-state atomic oxygen source

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

    1987-01-01

    A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

  12. Alternative ground states enable pathway switching in biological electron transfer

    DOE PAGES

    Abriata, Luciano A.; Alvarez-Paggi, Damian; Ledesma, Gabirela N.; ...

    2012-10-10

    Electron transfer is the simplest chemical reaction and constitutes the basis of a large variety of biological processes, such as photosynthesis and cellular respiration. Nature has evolved specific proteins and cofactors for these functions. The mechanisms optimizing biological electron transfer have been matter of intense debate, such as the role of the protein milieu between donor and acceptor sites. Here we propose a mechanism regulating long-range electron transfer in proteins. Specifically, we report a spectroscopic, electrochemical, and theoretical study on WT and single-mutant CuA redox centers from Thermus thermophilus, which shows that thermal fluctuations may populate two alternative ground-state electronicmore » wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. In conclusion, these findings suggest a unique role for alternative or “invisible” electronic ground states in directional electron transfer. Moreover, it is shown that this energy gap and, therefore, the equilibrium between ground states can be fine-tuned by minor perturbations, suggesting alternative ways through which protein–protein interactions and membrane potential may optimize and regulate electron–proton energy transduction.« less

  13. Solid-state track recorder dosimetry device to measure absolute reaction rates and neutron fluence as a function of time

    DOEpatents

    Gold, Raymond; Roberts, James H.

    1989-01-01

    A solid state track recording type dosimeter is disclosed to measure the time dependence of the absolute fission rates of nuclides or neutron fluence over a period of time. In a primary species an inner recording drum is rotatably contained within an exterior housing drum that defines a series of collimating slit apertures overlying windows defined in the stationary drum through which radiation can enter. Film type solid state track recorders are positioned circumferentially about the surface of the internal recording drum to record such radiation or its secondary products during relative rotation of the two elements. In another species both the recording element and the aperture element assume the configuration of adjacent disks. Based on slit size of apertures and relative rotational velocity of the inner drum, radiation parameters within a test area may be measured as a function of time and spectra deduced therefrom.

  14. Meta-Stable Magnetic Domain States That Prevent Reliable Absolute Palaeointensity Experiments Revealed By Magnetic Force Microscopy

    NASA Astrophysics Data System (ADS)

    de Groot, L. V.; Fabian, K.; Bakelaar, I. A.; Dekkers, M. J.

    2014-12-01

    Obtaining reliable estimates of the absolute palaeointensity of the Earth's magnetic field is notoriously difficult. Many methods to obtain paleointensities from suitable records such as lavas and archeological artifacts involve heating the samples. These heating steps are believed to induce 'magnetic alteration' - a process that is still poorly understood but prevents obtaining correct paleointensity estimates. To observe this magnetic alteration directly we imaged the magnetic domain state of titanomagnetite particles - a common carrier of the magnetic remanence in samples used for paleointensity studies. We selected samples from the 1971-flow of Mt. Etna from a site that systematically yields underestimates of the known intensity of the paleofield - in spite of rigorous testing by various groups. Magnetic Force Microscope images were taken before and after a heating step typically used in absolute palaeointensity experiments. Before heating, the samples feature distinct, blocky domains that sometimes seem to resemble a classical magnetite domain structure. After imparting a partial thermo-remanent magnetization at a temperature often critical to paleointensity experiments (250 °C) the domain state of the same titanomagnetite grains changes into curvier, wavy domains. Furthermore, these structures appeared to be unstable over time: after one-year storage in a magnetic field-free environment the domain states evolved into a viscous remanent magnetization state. Our observations may qualitatively explain reported underestimates from technically successful paleointensity experiments for this site and other sites reported previously. Furthermore the occurrence of intriguing observations such as 'the drawer storage effect' by Shaar et al (EPSL, 2011), and viscous magnetizations observed by Muxworthy and Williams (JGR, 2006) may be (partially) explained by our observations. The major implications of our study for all palaeointensity methods involving heating may be

  15. Sideband cooling of micromechanical motion to the quantum ground state.

    PubMed

    Teufel, J D; Donner, T; Li, Dale; Harlow, J W; Allman, M S; Cicak, K; Sirois, A J; Whittaker, J D; Lehnert, K W; Simmonds, R W

    2011-07-06

    The advent of laser cooling techniques revolutionized the study of many atomic-scale systems, fuelling progress towards quantum computing with trapped ions and generating new states of matter with Bose-Einstein condensates. Analogous cooling techniques can provide a general and flexible method of preparing macroscopic objects in their motional ground state. Cavity optomechanical or electromechanical systems achieve sideband cooling through the strong interaction between light and motion. However, entering the quantum regime--in which a system has less than a single quantum of motion--has been difficult because sideband cooling has not sufficiently overwhelmed the coupling of low-frequency mechanical systems to their hot environments. Here we demonstrate sideband cooling of an approximately 10-MHz micromechanical oscillator to the quantum ground state. This achievement required a large electromechanical interaction, which was obtained by embedding a micromechanical membrane into a superconducting microwave resonant circuit. To verify the cooling of the membrane motion to a phonon occupation of 0.34 ± 0.05 phonons, we perform a near-Heisenberg-limited position measurement within (5.1 ± 0.4)h/2π, where h is Planck's constant. Furthermore, our device exhibits strong coupling, allowing coherent exchange of microwave photons and mechanical phonons. Simultaneously achieving strong coupling, ground state preparation and efficient measurement sets the stage for rapid advances in the control and detection of non-classical states of motion, possibly even testing quantum theory itself in the unexplored region of larger size and mass. Because mechanical oscillators can couple to light of any frequency, they could also serve as a unique intermediary for transferring quantum information between microwave and optical domains.

  16. Klf4 reverts developmentally programmed restriction of ground state pluripotency

    PubMed Central

    Guo, Ge; Yang, Jian; Nichols, Jennifer; Hall, John Simon; Eyres, Isobel; Mansfield, William; Smith, Austin

    2009-01-01

    Summary Mouse embryonic stem (ES) cells derived from pluripotent early epiblast contribute functionally differentiated progeny to all foetal lineages of chimaeras. By contrast, epistem cell (EpiSC) lines from post-implantation epithelialised epiblast are unable to colonise the embryo even though they express the core pluripotency genes Oct4, Sox2 and Nanog. We examined interconversion between these two cell types. ES cells can readily become EpiSCs in response to growth factor cues. By contrast, EpiSCs do not change into ES cells. We exploited PiggyBac transposition to introduce a single reprogramming factor, Klf4, into EpiSCs. No effect was apparent in EpiSC culture conditions, but in ground state ES cell conditions a fraction of cells formed undifferentiated colonies. These EpiSC-derived induced pluripotent stem (Epi-iPS) cells activated expression of ES cell-specific transcripts including endogenous Klf4, and downregulated markers of lineage specification. X chromosome silencing in female cells, a feature of the EpiSC state, was erased in Epi-iPS cells. They produced high-contribution chimaeras that yielded germline transmission. These properties were maintained after Cre-mediated deletion of the Klf4 transgene, formally demonstrating complete and stable reprogramming of developmental phenotype. Thus, re-expression of Klf4 in an appropriate environment can regenerate the naïve ground state from EpiSCs. Reprogramming is dependent on suppression of extrinsic growth factor stimuli and proceeds to completion in less than 1% of cells. This substantiates the argument that EpiSCs are developmentally, epigenetically and functionally differentiated from ES cells. However, because a single transgene is the minimum requirement to attain the ground state, EpiSCs offer an attractive opportunity for screening for unknown components of the reprogramming process. PMID:19224983

  17. Absolute efficiency calibration of 6LiF-based solid state thermal neutron detectors

    NASA Astrophysics Data System (ADS)

    Finocchiaro, Paolo; Cosentino, Luigi; Lo Meo, Sergio; Nolte, Ralf; Radeck, Desiree

    2018-03-01

    The demand for new thermal neutron detectors as an alternative to 3He tubes in research, industrial, safety and homeland security applications, is growing. These needs have triggered research and development activities about new generations of thermal neutron detectors, characterized by reasonable efficiency and gamma rejection comparable to 3He tubes. In this paper we show the state of the art of a promising low-cost technique, based on commercial solid state silicon detectors coupled with thin neutron converter layers of 6LiF deposited onto carbon fiber substrates. A few configurations were studied with the GEANT4 simulation code, and the intrinsic efficiency of the corresponding detectors was calibrated at the PTB Thermal Neutron Calibration Facility. The results show that the measured intrinsic detection efficiency is well reproduced by the simulations, therefore validating the simulation tool in view of new designs. These neutron detectors have also been tested at neutron beam facilities like ISIS (Rutherford Appleton Laboratory, UK) and n_TOF (CERN) where a few samples are already in operation for beam flux and 2D profile measurements. Forthcoming applications are foreseen for the online monitoring of spent nuclear fuel casks in interim storage sites.

  18. Optimised effective potential for ground states, excited states, and time-dependent phenomena

    SciTech Connect

    Gross, E.K.U.

    1996-12-31

    (1) The optimized effective potential method is a variant of the traditional Kohn-Sham scheme. In this variant, the exchange-correlation energy E{sub xc} is an explicit functional of single-particle orbitals. The exchange-correlation potential, given as usual by the functional derivative v{sub xc} = {delta}E{sub xc}/{delta}{rho}, then satisfies as integral equation involving the single-particle orbitals. This integral equation in solved semi-analytically using a scheme recently proposed by Krieger, Li and Iafrate. If the exact (Fock) exchange-energy functional is employed together with the Colle-Salvetti orbital functional for the correlation energy, the mean absolute deviation of the resulting ground-state energies from the exact nonrelativisticmore » values is CT mH for the first-row atoms, as compared to 4.5 mH in a state-of-the-art CI calculation. The proposed scheme is thus significantly more accurate than the conventional Kohn-Sham method while the numerical effort involved is about the same as for an ordinary Hanree-Fock calculation. (2) A time-dependent generalization of the optimized-potential method is presented and applied to the linear-response regime. Since time-dependent density functional theory leads to a formally exact representation of the frequency-dependent linear density response and since the latter, as a function of frequency, has poles at the excitation energies of the fully interacting system, the formalism is suitable for the calculation of excitation energies. A simple additive correction to the Kohn-Sham single-particle excitation energies will be deduced and first results for atomic and molecular singlet and triplet excitation energies will be presented. (3) Beyond the regime of linear response, the time-dependent optimized-potential method is employed to describe atoms in strong emtosecond laser pulses. Ionization yields and harmonic spectra will be presented and compared with experimental data.« less

  19. Earthquake Ground Motion Simulations in the Central United States

    NASA Astrophysics Data System (ADS)

    Ramirez Guzman, L.; Boyd, O. S.; Hartzell, S.; Williams, R. A.

    2010-12-01

    The Central United States (CUS) includes two of the major seismic zones east of the Rockies: the New Madrid and Wabash Valley Seismic Zones. The winter 1811-1812 New Madrid Seismic Zone (NMSZ) events were the largest intraplate sequence ever recorded in the United States. Together with their aftershocks, these earthquakes produced large areas of liquefaction, new lakes, and landslides in the region. Seismicity in the early 1800’s was dominated by the NMSZ activity, although three low magnitude 5 earthquakes occurred in the last 40 years in the Wabash Valley Seismic Zone (WVSZ). The population and infrastructure of the CUS have drastically changed from that of the early nineteenth century, and a large earthquake would now cause significant casualties and economic losses within the country’s heartland. In this study we present three sets of numerical simulations depicting earthquakes in the region. These hypothetical ruptures are located on the Reelfoot fault and the southern axial arm of the NMSZ and in the WVSZ. Our broad-band synthetic ground motions are calculated following the Liu et al. (2006) hybrid method. Using a finite element solver we calculate low frequency ground motion (< 1 Hz) which accounts for the heterogeneity and low velocity soils of the region by using a recently developed seismic velocity model (CUSVM1) and a minimum shear wave velocity of 300 m/s. The broad-band ground motions are then generated by combining high frequency synthetics computed in a 1D velocity model with the low frequency motions at a crossover frequency of 1 Hz. We primarily discuss the basin effects produced by the Mississippi embayment and investigate the effects of hypocentral location and slip distribution on ground motions in densely populated areas within the CUS.

  20. Equatorial ground ice on Mars: Steady-state stability

    NASA Technical Reports Server (NTRS)

    Mellon, Michael T.; Jakosky, Bruce M.; Postawko, Susan E.

    1993-01-01

    Current Martian equatorial surface temperatures are too warm for water ice to exist at the surface for any appreciable length of time before subliming into the atmosphere. Subsurface temperatures are generally warmer still and, despite the presence of a diffusive barrier of porous regolith material, it has been shown by Smoluchowski, Clifford and Hillel, and Fanale et al. that buried ground ice will also sublime and be lost to the atmosphere in a relatively short time. We investigate the behavior of this subliming subsurface ice and show that it is possible for ice to maintain at a steady-state depth, where sublimation and diffusive loss to the atmosphere is balanced by resupply from beneath by diffusion and recondensation of either a deeper buried ice deposits or ground water. We examine the behavior of equatorial ground ice with a numercial time-marching molecular diffusion model. In our model we allow for diffusion of water vapor through a porous regolith, variations in diffusivity and porosity with ice content, and recondensation of sublimed water vapor. A regolith containing considerable amounts of ice can still be very porous, allowing water vapor to diffuse up from deeper within the ice layer where temperatures are warmer due to the geothermal gradient. This vapor can then recondense nearer to the surface where ice had previously sublimed and been lost to the atmosphere. As a result we find that ice deposits migrate to find a steady-state depth, which represents a balance between diffusive loss to the atmosphere through the overlying porous regolith and diffusive resupply through a porous icy regolith below. This depth depends primarily on the long-term mean surface temperature and the nature of the geothermal gradient, and is independent of the ice-free porosity and the regolith diffusivity. Only the rate of loss of ground ice depends on diffusive properties.

  1. Ground state of the time-independent Gross Pitaevskii equation

    NASA Astrophysics Data System (ADS)

    Dion, Claude M.; Cancès, Eric

    2007-11-01

    We present a suite of programs to determine the ground state of the time-independent Gross-Pitaevskii equation, used in the simulation of Bose-Einstein condensates. The calculation is based on the Optimal Damping Algorithm, ensuring a fast convergence to the true ground state. Versions are given for the one-, two-, and three-dimensional equation, using either a spectral method, well suited for harmonic trapping potentials, or a spatial grid. Program summaryProgram title: GPODA Catalogue identifier: ADZN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5339 No. of bytes in distributed program, including test data, etc.: 19 426 Distribution format: tar.gz Programming language: Fortran 90 Computer: ANY (Compilers under which the program has been tested: Absoft Pro Fortran, The Portland Group Fortran 90/95 compiler, Intel Fortran Compiler) RAM: From <1 MB in 1D to ˜10 MB for a large 3D grid Classification: 2.7, 4.9 External routines: LAPACK, BLAS, DFFTPACK Nature of problem: The order parameter (or wave function) of a Bose-Einstein condensate (BEC) is obtained, in a mean field approximation, by the Gross-Pitaevskii equation (GPE) [F. Dalfovo, S. Giorgini, L.P. Pitaevskii, S. Stringari, Rev. Mod. Phys. 71 (1999) 463]. The GPE is a nonlinear Schrödinger-like equation, including here a confining potential. The stationary state of a BEC is obtained by finding the ground state of the time-independent GPE, i.e., the order parameter that minimizes the energy. In addition to the standard three-dimensional GPE, tight traps can lead to effective two- or even one-dimensional BECs, so the 2D and 1D GPEs are also considered. Solution method: The ground state of the time-independent of the GPE is calculated using the

  2. Absolute I(asterisk) quantum yields for the ICN A state by diode laser gain-vs-absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Hess, Wayne P.; Leone, Stephen R.

    1987-01-01

    Absolute I(asterisk) quantum yields have been measured as a function of wavelength for room temperature photodissociation of the ICN A state continuum. The yields are obtained by the technique of time-resolved diode laser gain-vs-absorption spectroscopy. Quantum yields are evaluated at seven wavelengths from 248 to 284 nm. The yield at 266 nm is 66.0 + or - 2 percent and it falls off to 53.4 + or - 2 percent and 44.0 + or - 4 percent at 284 and 248 nm, respectively. The latter values are significantly higher than those obtained by previous workers using infrared fluorescence. Estimates of I(asterisk) quantum yields obtained from analysis of CN photofragment rotational distributions, as discussed by other workers, are in good agreement with the I(asterisk) yields reported here. The results are considered in conjunction with recent theoretical and experimental work on the CN rotational distributions and with previous I(asterisk) quantum yield results.

  3. On the assimilation of absolute geodetic dynamic topography in a global ocean model: impact on the deep ocean state

    NASA Astrophysics Data System (ADS)

    Androsov, Alexey; Nerger, Lars; Schnur, Reiner; Schröter, Jens; Albertella, Alberta; Rummel, Reiner; Savcenko, Roman; Bosch, Wolfgang; Skachko, Sergey; Danilov, Sergey

    2018-05-01

    General ocean circulation models are not perfect. Forced with observed atmospheric fluxes they gradually drift away from measured distributions of temperature and salinity. We suggest data assimilation of absolute dynamical ocean topography (DOT) observed from space geodetic missions as an option to reduce these differences. Sea surface information of DOT is transferred into the deep ocean by defining the analysed ocean state as a weighted average of an ensemble of fully consistent model solutions using an error-subspace ensemble Kalman filter technique. Success of the technique is demonstrated by assimilation into a global configuration of the ocean circulation model FESOM over 1 year. The dynamic ocean topography data are obtained from a combination of multi-satellite altimetry and geoid measurements. The assimilation result is assessed using independent temperature and salinity analysis derived from profiling buoys of the AGRO float data set. The largest impact of the assimilation occurs at the first few analysis steps where both the model ocean topography and the steric height (i.e. temperature and salinity) are improved. The continued data assimilation over 1 year further improves the model state gradually. Deep ocean fields quickly adjust in a sustained manner: A model forecast initialized from the model state estimated by the data assimilation after only 1 month shows that improvements induced by the data assimilation remain in the model state for a long time. Even after 11 months, the modelled ocean topography and temperature fields show smaller errors than the model forecast without any data assimilation.

  4. Population shuffling between ground and high energy excited states

    PubMed Central

    Sabo, T Michael; Trent, John O; Lee, Donghan

    2015-01-01

    Stochastic processes powered by thermal energy lead to protein motions traversing time-scales from picoseconds to seconds. Fundamental to protein functionality is the utilization of these dynamics for tasks such as catalysis, folding, and allostery. A hierarchy of motion is hypothesized to connect and synergize fast and slow dynamics toward performing these essential activities. Population shuffling predicts a “top-down” temporal hierarchy, where slow time-scale conformational interconversion leads to a shuffling of the free energy landscape for fast time-scale events. Until now, population shuffling was only applied to interconverting ground states. Here, we extend the framework of population shuffling to be applicable for a system interconverting between low energy ground and high energy excited states, such as the SH3 domain mutants G48M and A39V/N53P/V55L from the Fyn tyrosine kinase, providing another tool for accessing the structural dynamics of high energy excited states. Our results indicate that the higher energy gauche− rotameric state for the leucine χ2 dihedral angle contributes significantly to the distribution of rotameric states in both the major and minor forms of the SH3 domain. These findings are corroborated with unrestrained molecular dynamics (MD) simulations on both the major and minor states of the SH3 domain demonstrating high correlations between experimental and back-calculated leucine χ2 rotameric populations. Taken together, we demonstrate how fast time-scale rotameric side-chain population distributions can be extracted from slow time-scale conformational exchange data further extending the scope and the applicability of the population shuffling model. PMID:26316263

  5. Population shuffling between ground and high energy excited states.

    PubMed

    Sabo, T Michael; Trent, John O; Lee, Donghan

    2015-11-01

    Stochastic processes powered by thermal energy lead to protein motions traversing time-scales from picoseconds to seconds. Fundamental to protein functionality is the utilization of these dynamics for tasks such as catalysis, folding, and allostery. A hierarchy of motion is hypothesized to connect and synergize fast and slow dynamics toward performing these essential activities. Population shuffling predicts a "top-down" temporal hierarchy, where slow time-scale conformational interconversion leads to a shuffling of the free energy landscape for fast time-scale events. Until now, population shuffling was only applied to interconverting ground states. Here, we extend the framework of population shuffling to be applicable for a system interconverting between low energy ground and high energy excited states, such as the SH3 domain mutants G48M and A39V/N53P/V55L from the Fyn tyrosine kinase, providing another tool for accessing the structural dynamics of high energy excited states. Our results indicate that the higher energy gauche - rotameric state for the leucine χ2 dihedral angle contributes significantly to the distribution of rotameric states in both the major and minor forms of the SH3 domain. These findings are corroborated with unrestrained molecular dynamics (MD) simulations on both the major and minor states of the SH3 domain demonstrating high correlations between experimental and back-calculated leucine χ2 rotameric populations. Taken together, we demonstrate how fast time-scale rotameric side-chain population distributions can be extracted from slow time-scale conformational exchange data further extending the scope and the applicability of the population shuffling model. © 2015 The Protein Society.

  6. Ground state energies from converging and diverging power series expansions

    SciTech Connect

    Lisowski, C.; Norris, S.; Pelphrey, R.

    2016-10-15

    It is often assumed that bound states of quantum mechanical systems are intrinsically non-perturbative in nature and therefore any power series expansion methods should be inapplicable to predict the energies for attractive potentials. However, if the spatial domain of the Schrödinger Hamiltonian for attractive one-dimensional potentials is confined to a finite length L, the usual Rayleigh–Schrödinger perturbation theory can converge rapidly and is perfectly accurate in the weak-binding region where the ground state’s spatial extension is comparable to L. Once the binding strength is so strong that the ground state’s extension is less than L, the power expansion becomes divergent,more » consistent with the expectation that bound states are non-perturbative. However, we propose a new truncated Borel-like summation technique that can recover the bound state energy from the diverging sum. We also show that perturbation theory becomes divergent in the vicinity of an avoided-level crossing. Here the same numerical summation technique can be applied to reproduce the energies from the diverging perturbative sums.« less

  7. Lee-Yang Polynomials and Ground States of Spin Systems

    NASA Astrophysics Data System (ADS)

    Slawny, Joseph

    2014-08-01

    We obtain two kinds of results on the region in the space of the interactions of lattice systems where the Lee-Yang property holds (LY domain). First we show that the LY domain is related to interactions with exactly two ground states. Then we give a description of the full LY domain of an extended "plaquette model" analyzed by Lebowitz and Ruelle (Commun Math Phys 304:711-722, 2011). This allows us to prove a permanence property of the system, which we conjecture to hold in general.

  8. Ground state of a confined Yukawa plasma including correlation effects

    NASA Astrophysics Data System (ADS)

    Henning, C.; Ludwig, P.; Filinov, A.; Piel, A.; Bonitz, M.

    2007-09-01

    The ground state of an externally confined one-component Yukawa plasma is derived analytically using the local density approximation (LDA). In particular, the radial density profile is computed. The results are compared with the recently obtained mean-field (MF) density profile [Henning , Phys. Rev. E 74, 056403 (2006)]. While the MF results are more accurate for weak screening, the LDA with correlations included yields the proper description for large screening. By comparison with first-principles simulations for three-dimensional spherical Yukawa crystals, we demonstrate that the two approximations complement each other. Together they accurately describe the density profile in the full range of screening parameters.

  9. The ground state of the Frenkel-Kontorova model

    NASA Astrophysics Data System (ADS)

    Babushkin, A. Yu.; Abkaryan, A. K.; Dobronets, B. S.; Krasikov, V. S.; Filonov, A. N.

    2016-09-01

    The continual approximation of the ground state of the discrete Frenkel-Kontorova model is tested using a symmetric algorithm of numerical simulation. A "kaleidoscope effect" is found, which means that the curves representing the dependences of the relative extension of an N-atom chain vary periodically with increasing N. Stairs of structural transitions for N ≫ 1 are analyzed by the channel selection method with the approximation N = ∞. Images of commensurable and incommensurable structures are constructed. The commensurable-incommensurable phase transitions are stepwise.

  10. Absolute biological needs.

    PubMed

    McLeod, Stephen

    2014-07-01

    Absolute needs (as against instrumental needs) are independent of the ends, goals and purposes of personal agents. Against the view that the only needs are instrumental needs, David Wiggins and Garrett Thomson have defended absolute needs on the grounds that the verb 'need' has instrumental and absolute senses. While remaining neutral about it, this article does not adopt that approach. Instead, it suggests that there are absolute biological needs. The absolute nature of these needs is defended by appeal to: their objectivity (as against mind-dependence); the universality of the phenomenon of needing across the plant and animal kingdoms; the impossibility that biological needs depend wholly upon the exercise of the abilities characteristic of personal agency; the contention that the possession of biological needs is prior to the possession of the abilities characteristic of personal agency. Finally, three philosophical usages of 'normative' are distinguished. On two of these, to describe a phenomenon or claim as 'normative' is to describe it as value-dependent. A description of a phenomenon or claim as 'normative' in the third sense does not entail such value-dependency, though it leaves open the possibility that value depends upon the phenomenon or upon the truth of the claim. It is argued that while survival needs (or claims about them) may well be normative in this third sense, they are normative in neither of the first two. Thus, the idea of absolute need is not inherently normative in either of the first two senses. © 2013 John Wiley & Sons Ltd.

  11. Role of electronic excited N2 in vibrational excitation of the N2 ground state at high latitudes

    NASA Astrophysics Data System (ADS)

    Campbell, L.; Cartwright, D. C.; Brunger, M. J.; Teubner, P. J. O.

    2006-09-01

    Vibrationally excited N2 is important in determining the ionospheric electron density and has also been proposed to play a role in the production of NO in disturbed atmospheres. We report here predictions of the absolute vibrational distributions in the ground electronic state of N2 produced by electron impact excitation, at noon and midnight under quiet geomagnetic conditions and disturbed conditions corresponding to the aurora IBCII+ and IBCIII+ at 60°N latitude and 0° longitude, at altitudes between 130 and 350 km. These predictions were obtained from a model which includes thermal excitation and direct electron impact excitation of the vibrational levels of the N2 ground state and its excited electronic states; radiative cascade from all excited electronic states to all vibrational levels of the ground electronic state; quenching by O, O2, and N2; molecular and ambipolar diffusion; and the dominant chemical reactions. Results from this study show that for both aurora and daytime electron environments: (1) cascade from the higher electronic states of N2 determines the population of the higher vibrational levels in the N2 ground state and (2) the effective ground state vibrational temperature for levels greater than 4 in N2 is predicted to be in the range 4000-13000 K for altitudes greater than 200 km. Correspondingly, the associated enhancement factor for the O+ reaction with vibrationally excited N2 to produce NO+ is predicted to increase with increasing altitude (up to a maximum at a height which increases with auroral strength) for both aurora and daytime environments and to increase with increasing auroral strength. The contribution of the cascade from the excited electronic states was evaluated and found to be relatively minor compared to the direct excitation process.

  12. Charge transfer to ground-state ions produces free electrons

    PubMed Central

    You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K

    2017-01-01

    Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne–Kr mixed clusters. PMID:28134238

  13. Ground states of partially connected binary neural networks

    NASA Technical Reports Server (NTRS)

    Baram, Yoram

    1990-01-01

    Neural networks defined by outer products of vectors over (-1, 0, 1) are considered. Patterns over (-1, 0, 1) define by their outer products partially connected neural networks consisting of internally strongly connected, externally weakly connected subnetworks. Subpatterns over (-1, 1) define subnetworks, and their combinations that agree in the common bits define permissible words. It is shown that the permissible words are locally stable states of the network, provided that each of the subnetworks stores mutually orthogonal subwords, or, at most, two subwords. It is also shown that when each of the subnetworks stores two mutually orthogonal binary subwords at most, the permissible words, defined as the combinations of the subwords (one corresponding to each subnetwork), that agree in their common bits are the unique ground states of the associated energy function.

  14. The valence-fluctuating ground state of plutonium

    DOE PAGES

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; ...

    2015-07-10

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. In addition, our study reveals that the ground state of plutonium is governed bymore » valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials.« less

  15. DNA-DNA interaction beyond the ground state

    NASA Astrophysics Data System (ADS)

    Lee, D. J.; Wynveen, A.; Kornyshev, A. A.

    2004-11-01

    The electrostatic interaction potential between DNA duplexes in solution is a basis for the statistical mechanics of columnar DNA assemblies. It may also play an important role in recombination of homologous genes. We develop a theory of this interaction that includes thermal torsional fluctuations of DNA using field-theoretical methods and Monte Carlo simulations. The theory extends and rationalizes the earlier suggested variational approach which was developed in the context of a ground state theory of interaction of nonhomologous duplexes. It shows that the heuristic variational theory is equivalent to the Hartree self-consistent field approximation. By comparison of the Hartree approximation with an exact solution based on the QM analogy of path integrals, as well as Monte Carlo simulations, we show that this easily analytically-tractable approximation works very well in most cases. Thermal fluctuations do not remove the ability of DNA molecules to attract each other at favorable azimuthal conformations, neither do they wash out the possibility of electrostatic “snap-shot” recognition of homologous sequences, considered earlier on the basis of ground state calculations. At short distances DNA molecules undergo a “torsional alignment transition,” which is first order for nonhomologous DNA and weaker order for homologous sequences.

  16. Line list for the ground state of CaF

    NASA Astrophysics Data System (ADS)

    Hou, Shilin; Bernath, Peter F.

    2018-05-01

    The molecular potential energy function and electronic dipole moment function for the ground state of CaF were studied with MRCI, ACPF, and RCCSD(T) ab initio calculations. The RCCSD(T) potential function reproduces the experimental vibrational intervals to within ∼2 cm-1. The RCCSD(T) dipole moment at the equilibrium internuclear separation agrees well with the experimental value. Over a wide range of internuclear separations, far beyond the range associated with the observed spectra, the ab initio dipole moment functions are similar and highly linear. An extended Morse oscillator (EMO) potential function was also obtained by fitting the observed lines of the laboratory vibration-rotation and pure rotation spectra of the 40CaF X2Σ+ ground state. The fitted potential reproduces the observed transitions (v ≤ 8, N ≤ 121, Δv = 0, 1) within their experimental uncertainties. With this EMO potential and the RCCSD(T) dipole moment function, line lists for 40CaF, 42CaF, 43CaF, 44CaF, 46CaF, and 48CaF were computed for v ≤ 10, N ≤ 121, Δv = 0-10. The calculated emission spectra are in good agreement with an observed laboratory spectrum of CaF at a sample temperature of 1873 K.

  17. Ground-State of the Bose-Hubbard Model

    NASA Astrophysics Data System (ADS)

    Mancini, J. D.; Fessatidis, V.; Bowen, S. P.; Murawski, R. K.; Maly, J.

    The Bose-Hubbard Model represents a s simple theoretical model to describe the physics of interacting Boson systems. In particular it has proved to be an effective description of a number of physical systems such as arrays of Josephson arrays as well as dilute alkali gases in optical lattices. Here we wish to study the ground-state of this system using two disparate but related moments calculational schemes: the Lanczos (tridiagonal) method as well as a Generalized moments approach. The Hamiltonian to be studied is given by (in second-quantized notation): H = - t ∑ < i , j > bi†bj +U/2 ∑ inini - 1 - μ ∑ ini . Here i is summed over all lattice sites, and < i , j > denotes summation over all neighbhoring sites i and j, while bi† and bi are bosonic creation and annihilation operators. ni = bi†bi gives the number of particles on site i. Parameter t is the hopping amplitude, describing mobility of bosons in the lattice. Parameter U describes the on-site interaction, repulsive, if U > 0 , and attractive for U < 0 . μ is the chemical potential. Both the ground-state energy and energy gap are evaluated as a function of t, U and μ.

  18. Stability of quantum-dot excited-state laser emission under simultaneous ground-state perturbation

    SciTech Connect

    Kaptan, Y., E-mail: yuecel.kaptan@physik.tu-berlin.de; Herzog, B.; Schöps, O.

    2014-11-10

    The impact of ground state amplification on the laser emission of In(Ga)As quantum dot excited state lasers is studied in time-resolved experiments. We find that a depopulation of the quantum dot ground state is followed by a drop in excited state lasing intensity. The magnitude of the drop is strongly dependent on the wavelength of the depletion pulse and the applied injection current. Numerical simulations based on laser rate equations reproduce the experimental results and explain the wavelength dependence by the different dynamics in lasing and non-lasing sub-ensembles within the inhomogeneously broadened quantum dots. At high injection levels, the observedmore » response even upon perturbation of the lasing sub-ensemble is small and followed by a fast recovery, thus supporting the capacity of fast modulation in dual-state devices.« less

  19. Ground-state properties of neutron magic nuclei

    SciTech Connect

    Saxena, G., E-mail: gauravphy@gmail.com; Kaushik, M.

    2017-03-15

    A systematic study of the ground-state properties of the entire chains of even–even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82, and 126 has been carried out using relativistic mean-field plus Bardeen–Cooper–Schrieffer approach. Our present investigation includes deformation, binding energy, two-proton separation energy, single-particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using nonrelativistic approach (Skyrme–Hartree–Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of themore » proton and neutron drip-lines, the (Z, N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.« less

  20. a New Phenomenological Formula for Ground-State Binding Energies

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, G.

    A phenomenological formula based on liquid drop model has been proposed for ground-state binding energies of nuclei. The effect due to bunching of single particle levels has been incorporated through a term resembling the one-body Hamiltonian. The effect of n-p interaction has been included through a function of valence nucleons. A total of 50 parameters has been used in the present calculation. The root mean square (r.m.s.) deviation for the binding energy values for 2140 nuclei comes out to be 0.376 MeV, and that for 1091 alpha decay energies is 0.284 MeV. The correspondence with the conventional liquid drop model is discussed.

  1. First resonant tunneling via a light-hole ground state

    NASA Astrophysics Data System (ADS)

    Lampin, J. F.; Mollot, F.

    1998-07-01

    We report the demonstration of resonant tunneling of light-holes through an AlAs/GaAs 0.7P 0.3 double-barrier heterostructure. The tensile strain in the quantum well reverses the order of the light- and heavy-hole levels, the first light-hole level becoming the ground state. The I( V) characteristics are measured at different temperatures and compared to those of a standard AlAs/GaAs unstrained structure. The peak current density of the first light-hole resonance and its peak-to-valley current ratio are enhanced. They reach 28 A/cm 2 and 3.4 : 1 at 15 K. A negative differential resistance is observed up to 250 K.

  2. First determination of ground state electromagnetic moments of Fe 53

    DOE PAGES

    Miller, A. J.; Minamisono, K.; Rossi, D. M.; ...

    2017-11-16

    Here, the hyperfine coupling constants of neutron deficient 53Fe were deduced from the atomic hyperfine spectrum measured using the bunched-beam collinear laser spectroscopy technique. The low-energy 53Fe beam was produced by projectile-fragmentation reactions followed by gas stopping, and used for the first time for laser spectroscopy. Ground state magnetic-dipole and electric-quadrupole moments were determined as μ= –0.65(1)μ N and Q=+35(15)e 2fm 2, respectively. The multiconfiguration Dirac-Fock method was used to calculate the electric field gradient to deduce Q from the quadrupole hyperfine coupling constant, since the quadrupole coupling constant has not been determined for any Fe isotopes. Both experimental valuesmore » agree well with nuclear shell model calculations using the GXPF1A effective interaction performed in a full fp shell model space, which support the soft nature of the 56Ni nucleus.« less

  3. Ground state of dipolar hard spheres confined in channels

    NASA Astrophysics Data System (ADS)

    Deißenbeck, Florian; Löwen, Hartmut; Oǧuz, Erdal C.

    2018-05-01

    We investigate the ground state of a classical two-dimensional system of hard-sphere dipoles confined between two hard walls. Using lattice sum minimization techniques we reveal that at fixed wall separations, a first-order transition from a vacuum to a straight one-dimensional chain of dipoles occurs upon increasing the density. Further increase in the density yields the stability of an undulated chain as well as nontrivial buckling structures. We explore the close-packed configurations of dipoles in detail, and we find that, in general, the densest packings of dipoles possess complex magnetizations along the principal axis of the slit. Our predictions serve as a guideline for experiments with granular dipolar and magnetic colloidal suspensions confined in slitlike channel geometry.

  4. First determination of ground state electromagnetic moments of Fe 53

    SciTech Connect

    Miller, A. J.; Minamisono, K.; Rossi, D. M.

    Here, the hyperfine coupling constants of neutron deficient 53Fe were deduced from the atomic hyperfine spectrum measured using the bunched-beam collinear laser spectroscopy technique. The low-energy 53Fe beam was produced by projectile-fragmentation reactions followed by gas stopping, and used for the first time for laser spectroscopy. Ground state magnetic-dipole and electric-quadrupole moments were determined as μ= –0.65(1)μ N and Q=+35(15)e 2fm 2, respectively. The multiconfiguration Dirac-Fock method was used to calculate the electric field gradient to deduce Q from the quadrupole hyperfine coupling constant, since the quadrupole coupling constant has not been determined for any Fe isotopes. Both experimental valuesmore » agree well with nuclear shell model calculations using the GXPF1A effective interaction performed in a full fp shell model space, which support the soft nature of the 56Ni nucleus.« less

  5. The ground state of two-dimensional silicon

    NASA Astrophysics Data System (ADS)

    Borlido, Pedro; Rödl, Claudia; Marques, Miguel A. L.; Botti, Silvana

    2018-07-01

    We perform ab initio structure-prediction calculations of the low-energy crystal structures of two-dimensional silicon. Besides the well-known silicene and a few other allotropes proposed earlier in the literature, we discover a wealth of new phases with interesting properties. In particular, we find that the ground state of two-dimensional silicon is an unreported structure formed by a honeycomb lattice with dumbbell atoms arranged in a zigzag pattern. This material, that we call zigzag dumbbell silicene, is 218 meV/atom more stable than silicene and displays a quasi-direct band gap of around 1.11 eV, with a very dispersive electron band. These properties should make it easier to synthesize than silicene and interesting for a wealth of opto-electronic applications.

  6. Absolute Summ

    NASA Astrophysics Data System (ADS)

    Phillips, Alfred, Jr.

    Summ means the entirety of the multiverse. It seems clear, from the inflation theories of A. Guth and others, that the creation of many universes is plausible. We argue that Absolute cosmological ideas, not unlike those of I. Newton, may be consistent with dynamic multiverse creations. As suggested in W. Heisenberg's uncertainty principle, and with the Anthropic Principle defended by S. Hawking, et al., human consciousness, buttressed by findings of neuroscience, may have to be considered in our models. Predictability, as A. Einstein realized with Invariants and General Relativity, may be required for new ideas to be part of physics. We present here a two postulate model geared to an Absolute Summ. The seedbed of this work is part of Akhnaton's philosophy (see S. Freud, Moses and Monotheism). Most important, however, is that the structure of human consciousness, manifest in Kenya's Rift Valley 200,000 years ago as Homo sapiens, who were the culmination of the six million year co-creation process of Hominins and Nature in Africa, allows us to do the physics that we do. .

  7. Dissociative recombination of the ground state of N2(+)

    NASA Technical Reports Server (NTRS)

    Guberman, Steven L.

    1991-01-01

    Large-scale calculations of the dissociative recombination cross sections and rates for the v = 0 level of the N2(+) ground state are reported, and the important role played by vibrationally excited Rydberg states lying both below and above the v = 0 level of the ion is demonstrated. The large-scale electronic wave function calculations were done using triple zeta plus polarization nuclear-centered-valence Gaussian basis sets. The electronic widths were obtained using smaller wave functions, and the cross sections were calculated on the basis of the multichannel quantum defect theory. The DR rate is calculated at 1.6 x 10 to the -7th x (Te/300) to the -0.37 cu cm/sec for Te in the range of 100 to 1000 K, and is found to be in excellent agreement with prior microwave afterglow experiments but in disagreement with recent merged beam results. It is inferred that the dominant mechanism for DR imparts sufficient energy to the product atoms to allow for escape from the Martian atmosphere.

  8. Electron-impact ionization cross sections out of the ground and 6P2 excited states of cesium

    NASA Astrophysics Data System (ADS)

    Łukomski, M.; Sutton, S.; Kedzierski, W.; Reddish, T. J.; Bartschat, K.; Bartlett, P. L.; Bray, I.; Stelbovics, A. T.; McConkey, J. W.

    2006-09-01

    An atom trapping technique for determining absolute, total ionization cross sections (TICS) out of an excited atom is presented. The unique feature of our method is in utilizing Doppler cooling of neutral atoms to determine ionization cross sections. This fluorescence-monitoring experiment, which is a variant of the “trap loss” technique, has enabled us to obtain the experimental electron impact ionization cross sections out of the Cs 6P3/22 state between 7eV and 400eV . CCC, RMPS, and Born theoretical results are also presented for both the ground and excited states of cesium and rubidium. In the low energy region (<11eV) where best agreement between these excited state measurements and theory might be expected, a discrepancy of approximately a factor of five is observed. Above this energy there are significant contributions to the TICS from both autoionization and multiple ionization.

  9. Ground-state properties of neutron-rich Mg isotopes

    NASA Astrophysics Data System (ADS)

    Watanabe, S.; Minomo, K.; Shimada, M.; Tagami, S.; Kimura, M.; Takechi, M.; Fukuda, M.; Nishimura, D.; Suzuki, T.; Matsumoto, T.; Shimizu, Y. R.; Yahiro, M.

    2014-04-01

    We analyze recently measured total reaction cross sections for 24-38Mg isotopes incident on 12C targets at 240 MeV/nucleon by using the folding model and antisymmetrized molecular dynamics (AMD). The folding model well reproduces the measured reaction cross sections, when the projectile densities are evaluated by the deformed Woods-Saxon (def-WS) model with AMD deformation. Matter radii of 24-38Mg are then deduced from the measured reaction cross sections by fine tuning the parameters of the def-WS model. The deduced matter radii are largely enhanced by nuclear deformation. Fully microscopic AMD calculations with no free parameter well reproduce the deduced matter radii for 24-36Mg, but still considerably underestimate them for 37,38Mg. The large matter radii suggest that 37,38Mg are candidates for deformed halo nucleus. AMD also reproduces other existing measured ground-state properties (spin parity, total binding energy, and one-neutron separation energy) of Mg isotopes. Neutron-number (N) dependence of deformation parameter is predicted by AMD. Large deformation is seen from 31Mg with N =19 to a drip-line nucleus 40Mg with N =28, indicating that both the N =20 and 28 magicities disappear. N dependence of neutron skin thickness is also predicted by AMD.

  10. Arsenic in Ground-Water Resources of the United States

    USGS Publications Warehouse

    Welch, Alan H.; Watkins, Sharon A.; Helsel, Dennis R.; Focazio, Michael J.

    2000-01-01

    Arsenic is a naturally occurring element in rocks, soils, and the waters in contact with them. Recognized as a toxic element for centuries, arsenic today also is a human health concern because it can contribute to skin, bladder, and other cancers (National Research Council, 1999). Recently, the National Research Council (1999) recommended lowering the current maximum contaminant level (MCL) allowed for arsenic in drinking water of 50 ?g/L (micrograms per liter), citing risks for developing bladder and other cancers. The U.S. Environmental Protection Agency (USEPA) will propose a new, and likely lower, arsenic MCL during 2000 (U.S. Environmental Protection Agency, 2000). This fact sheet provides information on where and to what extent natural concentrations of arsenic in ground water exceed possible new standards. The U.S. Geological Survey (USGS) has collected and analyzed arsenic in potable (drinkable) water from 18,850 wells in 595 counties across the United States during the past two decades. These wells are used for irrigation, industrial purposes, and research, as well as for public and private water supply. Arsenic concentrations in samples from these wells are similar to those found in nearby public supplies (see Focazio and others, 1999). The large number of samples, broad geographic coverage, and consistency of methods produce a more accurate and detailed picture of arsenic concentrations than provided by any previous studies.

  11. Structure of LiPs ground and excited states

    NASA Astrophysics Data System (ADS)

    Bressanini, Dario

    2018-01-01

    The lithium atom in its ground state can bind positronium (Ps) forming LiPs, an electronically stable system. In this study we use the fixed node diffusion Monte Carlo method to perform a detailed investigation of the internal structure of LiPs, establishing to what extent it could be described by smaller interacting subsystems. To study the internal structure of positronic systems we propose a way to analyze the particle distribution functions: We first order the particle-nucleus distances, from the closest to the farthest. We then bin the ordered distances obtaining, for LiPs, five distribution functions that we call sorted distribution functions. We used them to show that Ps is a quite well-defined entity inside LiPs: The positron is forming positronium not only when it is far away from the nucleus, but also when it is in the same region of space occupied by the 2 s electrons. Hence, it is not correct to describe LiPs as positronium "orbiting" around a lithium atom, as sometimes has been done, since the positron penetrates the electronic distribution and can be found close to the nucleus.

  12. Making classical ground-state spin computing fault-tolerant.

    PubMed

    Crosson, I J; Bacon, D; Brown, K R

    2010-09-01

    We examine a model of classical deterministic computing in which the ground state of the classical system is a spatial history of the computation. This model is relevant to quantum dot cellular automata as well as to recent universal adiabatic quantum computing constructions. In its most primitive form, systems constructed in this model cannot compute in an error-free manner when working at nonzero temperature. However, by exploiting a mapping between the partition function for this model and probabilistic classical circuits we are able to show that it is possible to make this model effectively error-free. We achieve this by using techniques in fault-tolerant classical computing and the result is that the system can compute effectively error-free if the temperature is below a critical temperature. We further link this model to computational complexity and show that a certain problem concerning finite temperature classical spin systems is complete for the complexity class Merlin-Arthur. This provides an interesting connection between the physical behavior of certain many-body spin systems and computational complexity.

  13. First determination of ground state electromagnetic moments of 53Fe

    NASA Astrophysics Data System (ADS)

    Miller, A. J.; Minamisono, K.; Rossi, D. M.; Beerwerth, R.; Brown, B. A.; Fritzsche, S.; Garand, D.; Klose, A.; Liu, Y.; Maaß, B.; Mantica, P. F.; Müller, P.; Nörtershäuser, W.; Pearson, M. R.; Sumithrarachchi, C.

    2017-11-01

    The hyperfine coupling constants of neutron deficient 53Fe were deduced from the atomic hyperfine spectrum of the 3 d64 s25D4↔3 d64 s 4 p 5F5 transition, measured using the bunched-beam collinear laser spectroscopy technique. The low-energy 53Fe beam was produced by projectile-fragmentation reactions followed by gas stopping, and used for the first time for laser spectroscopy. Ground state magnetic-dipole and electric-quadrupole moments were determined as μ =-0.65 (1 ) μN and Q =+35 (15 ) e2fm2 , respectively. The multiconfiguration Dirac-Fock method was used to calculate the electric field gradient to deduce Q from the quadrupole hyperfine coupling constant, since the quadrupole coupling constant has not been determined for any Fe isotopes. Both experimental values agree well with nuclear shell model calculations using the GXPF1A effective interaction performed in a full f p shell model space, which support the soft nature of the 56Ni nucleus.

  14. Ground-state splitting of ultrashallow thermal donors with negative central-cell corrections in silicon

    NASA Astrophysics Data System (ADS)

    Hara, Akito; Awano, Teruyoshi

    2017-06-01

    Ultrashallow thermal donors (USTDs), which consist of light element impurities such as carbon, hydrogen, and oxygen, have been found in Czochralski silicon (CZ Si) crystals. To the best of our knowledge, these are the shallowest hydrogen-like donors with negative central-cell corrections in Si. We observed the ground-state splitting of USTDs by far-infrared optical absorption at different temperatures. The upper ground-state levels are approximately 4 meV higher than the ground-state levels. This energy level splitting is also consistent with that obtained by thermal excitation from the ground state to the upper ground state. This is direct evidence that the wave function of the USTD ground state is made up of a linear combination of conduction band minimums.

  15. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    NASA Astrophysics Data System (ADS)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  16. Derivation of novel human ground state naive pluripotent stem cells.

    PubMed

    Gafni, Ohad; Weinberger, Leehee; Mansour, Abed AlFatah; Manor, Yair S; Chomsky, Elad; Ben-Yosef, Dalit; Kalma, Yael; Viukov, Sergey; Maza, Itay; Zviran, Asaf; Rais, Yoach; Shipony, Zohar; Mukamel, Zohar; Krupalnik, Vladislav; Zerbib, Mirie; Geula, Shay; Caspi, Inbal; Schneir, Dan; Shwartz, Tamar; Gilad, Shlomit; Amann-Zalcenstein, Daniela; Benjamin, Sima; Amit, Ido; Tanay, Amos; Massarwa, Rada; Novershtern, Noa; Hanna, Jacob H

    2013-12-12

    Mouse embryonic stem (ES) cells are isolated from the inner cell mass of blastocysts, and can be preserved in vitro in a naive inner-cell-mass-like configuration by providing exogenous stimulation with leukaemia inhibitory factor (LIF) and small molecule inhibition of ERK1/ERK2 and GSK3β signalling (termed 2i/LIF conditions). Hallmarks of naive pluripotency include driving Oct4 (also known as Pou5f1) transcription by its distal enhancer, retaining a pre-inactivation X chromosome state, and global reduction in DNA methylation and in H3K27me3 repressive chromatin mark deposition on developmental regulatory gene promoters. Upon withdrawal of 2i/LIF, naive mouse ES cells can drift towards a primed pluripotent state resembling that of the post-implantation epiblast. Although human ES cells share several molecular features with naive mouse ES cells, they also share a variety of epigenetic properties with primed murine epiblast stem cells (EpiSCs). These include predominant use of the proximal enhancer element to maintain OCT4 expression, pronounced tendency for X chromosome inactivation in most female human ES cells, increase in DNA methylation and prominent deposition of H3K27me3 and bivalent domain acquisition on lineage regulatory genes. The feasibility of establishing human ground state naive pluripotency in vitro with equivalent molecular and functional features to those characterized in mouse ES cells remains to be defined. Here we establish defined conditions that facilitate the derivation of genetically unmodified human naive pluripotent stem cells from already established primed human ES cells, from somatic cells through induced pluripotent stem (iPS) cell reprogramming or directly from blastocysts. The novel naive pluripotent cells validated herein retain molecular characteristics and functional properties that are highly similar to mouse naive ES cells, and distinct from conventional primed human pluripotent cells. This includes competence in the generation

  17. Some Correlation Functions in Matrix Product Ground States of One-Dimensional Two-State Chains

    NASA Astrophysics Data System (ADS)

    Shariati, Ahmad; Aghamohammadi, Amir; Fatollahi, Amir H.; Khorrami, Mohammad

    2014-04-01

    Consider one-dimensional chains with nearest neighbour interactions, for which to each site correspond two independent states (say up and down), and the ground state is a matrix product state. It has been shown [23] that for such systems, the ground states are linear combinations of specific vectors which are essentially direct products of specific numbers of ups and downs, symmetrized in a generalized manner. By a generalized manner, it is meant that the coefficient corresponding to the interchange of states of two sites, in not necessarily plus one or minus one, but a phase which depends on the Hamiltonian and the position of the two sites. Such vectors are characterized by a phase χ, the N-th power of which is one (where N is the number of sites), and an integer. Corresponding to χ, there is another integer M which is the smallest positive integer that χM is one. Two classes of correlation functions for such systems (basically correlation functions for such vectors) are calculated. The first class consists of correlation functions of tensor products of one-site diagonal observables; the second class consists of correlation functions of tensor products of less than M one-site observables (but not necessarily diagonal).

  18. Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.

    PubMed

    Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen

    2014-09-09

    The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation.

  19. The nu sub 2 band CHD3; ground state parameters for CHD3 from combination differences

    NASA Technical Reports Server (NTRS)

    Jennings, D. E.; Blass, W. E.

    1974-01-01

    The nu sub 2 fundamental band of CHD3, centered near 2143/cm, was recorded at a resolution of 0.015-0.25/cm. Analysis of ground state combination differences yielded well-determined values for the ground state molecular parameters for CHD3. These parameters were used in the determination of the alpha and beta molecular parameters for nu sub 2.

  20. Semistable extremal ground states for nonlinear evolution equations in unbounded domains

    NASA Astrophysics Data System (ADS)

    Rodríguez-Bernal, Aníbal; Vidal-López, Alejandro

    2008-02-01

    In this paper we show that dissipative reaction-diffusion equations in unbounded domains posses extremal semistable ground states equilibria, which bound asymptotically the global dynamics. Uniqueness of such positive ground state and their approximation by extremal equilibria in bounded domains is also studied. The results are then applied to the important case of logistic equations.

  1. Ground State Structure of a Coupled 2-Fermion System in Supersymmetric Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Finster, Felix

    1997-05-01

    We prove the uniqueness of the ground state for a supersymmetric quantum mechanical system of two fermions and two bosons, which is closely related to theN=1 WZ-model. The proof is constructive and gives detailed information on what the ground state looks like

  2. Ground-state and Thermodynamic Properties of an S = 1 Kitaev Model

    NASA Astrophysics Data System (ADS)

    Koga, Akihisa; Tomishige, Hiroyuki; Nasu, Joji

    2018-06-01

    We study the ground-state and thermodynamic properties of an S = 1 Kitaev model. We first clarify the existence of global parity symmetry in addition to the local symmetry on each plaquette, which enables us to perform large-scale calculations on up to 24 sites. It is found that the ground state should be singlet, and its energy is estimated as E/N ˜ -0.65J, where J is the Kitaev exchange coupling. We find that the lowest excited state belongs to the same subspace as the ground state, and that the gap decreases monotonically with increasing system size, which suggests that the ground state of the S = 1 Kitaev model is gapless. Using the thermal pure quantum states, we clarify the finite temperature properties characteristic of the Kitaev models with S ≤ 2.

  3. Floating Solar Photovoltaics Gaining Ground | State, Local, and Tribal

    Science.gov Websites

    Gaining Ground January 24, 2017 by Alison Holm Floating solar photovoltaic (PV) systems, so-called flotovoltaics (a trademarked term) or floating solar, represent an emerging application in which PV panels are sited on bodies of water. The PV panel technology used for floating solar applications is very similar

  4. Nuclear equation of state from ground and collective excited state properties of nuclei

    NASA Astrophysics Data System (ADS)

    Roca-Maza, X.; Paar, N.

    2018-07-01

    This contribution reviews the present status on the available constraints to the nuclear equation of state (EoS) around saturation density from nuclear structure calculations on ground and collective excited state properties of atomic nuclei. It concentrates on predictions based on self-consistent mean-field calculations, which can be considered as an approximate realization of an exact energy density functional (EDF). EDFs are derived from effective interactions commonly fitted to nuclear masses, charge radii and, in many cases, also to pseudo-data such as nuclear matter properties. Although in a model dependent way, EDFs constitute nowadays a unique tool to reliably and consistently access bulk ground state and collective excited state properties of atomic nuclei along the nuclear chart as well as the EoS. For comparison, some emphasis is also given to the results obtained with the so called ab initio approaches that aim at describing the nuclear EoS based on interactions fitted to few-body data only. Bridging the existent gap between these two frameworks will be essential since it may allow to improve our understanding on the diverse phenomenology observed in nuclei. Examples on observations from astrophysical objects and processes sensitive to the nuclear EoS are also briefly discussed. As the main conclusion, the isospin dependence of the nuclear EoS around saturation density and, to a lesser extent, the nuclear matter incompressibility remain to be accurately determined. Experimental and theoretical efforts in finding and measuring observables specially sensitive to the EoS properties are of paramount importance, not only for low-energy nuclear physics but also for nuclear astrophysics applications.

  5. Accurate Determination of Rotational Energy Levels in the Ground State of ^{12}CH_4

    NASA Astrophysics Data System (ADS)

    Abe, M.; Iwakuni, K.; Okubo, S.; Sasada, H.

    2013-06-01

    We have measured absolute frequencies of saturated absorption of 183 allowed and 21 forbidden transitions in the νb{3} band of ^{12}CH_4 using an optical comb-referenced difference-frequency-generation spectrometer from 86.8 to 93.1 THz (from 2890 to 3100 wn). The pump and signal sources are a 1.06-μ m Nd:YAG laser and a 1.5-μ m extended-cavity laser diode. An enhanced-cavity absorption cell increases the optical electric field and enhances the sensitivity. The typical uncertainty is 3 kHz for the allowed transitions and 12 kHz for the forbidden transitions. Twenty combination differences are precisely determined, and the scalar rotational and centrifugal distortion constants of the ground state are thereby yielded as r@ = l@ r@ = l B_{{s}} (157 122 614.2 ± 1.5) kHz, D_{{s}} (3 328.545 ± 0.031) kHz, H_{{s}} (190.90 ± 0.26) Hz, and L_{{s}} (-13.16 ± 0.76) mHz. Here, B_{{s}} is the rotational constant and D_{{s}}, H_{{s}} and L_{{s}} are the scalar quartic, sextic, octic distortion constants. The relative uncertainties are considerably smaller than those obtained from global analysis of Fourier-transform infrared spectroscopy. S. Okubo, H. Nakayama, K. Iwakuni, H. Inaba and H. Sasada, Opt. Express 19, 23878 (2011). M. Abe, K. Iwakuni, S. Okubo, and H. Sasada, J. Opt. Soc. Am. B (to be published). S. Albert, S. Bauerecker, V. Boudon, L. R. Brown, J. -P. Champion, M. Loëte, A. Nikitin, and M. Quack, Chem. Phys. 356, 131 (2009).

  6. Ground state sign-changing solutions for fractional Kirchhoff equations in bounded domains

    NASA Astrophysics Data System (ADS)

    Luo, Huxiao; Tang, Xianhua; Gao, Zu

    2018-03-01

    We study the existence of ground state sign-changing solutions for the fractional Kirchhoff problem. Under mild assumptions on the nonlinearity, by using some new analytical skills and the non-Nehari manifold method, we prove that the fractional Kirchhoff problem possesses a ground state sign-changing solution ub. Moreover, we show that the energy of ub is strictly larger than twice that of the ground state solutions of Nehari-type. Finally, we establish the convergence property of ub as the parameter b ↘ 0. Our results generalize some results obtained by Shuai [J. Differ. Equations 259, 1256 (2015)] and Tang and Cheng [J. Differ. Equations 261, 2384 (2016)].

  7. A molecular-field approximation for quantum crystals. Ph.D. Thesis; [considering ground state properties

    NASA Technical Reports Server (NTRS)

    Danilowicz, R.

    1973-01-01

    Ground-state properties of quantum crystals have received considerable attention from both theorists and experimentalists. The theoretical results have varied widely with the Monte Carlo calculations being the most successful. The molecular field approximation yields ground-state properties which agree closely with the Monte Carlo results. This approach evaluates the dynamical behavior of each pair of molecules in the molecular field of the other N-2 molecules. In addition to predicting ground-state properties that agree well with experiment, this approach yields data on the relative importance of interactions of different nearest neighbor pairs.

  8. Ground-state energies of the nonlinear sigma model and the Heisenberg spin chains

    NASA Technical Reports Server (NTRS)

    Zhang, Shoucheng; Schulz, H. J.; Ziman, Timothy

    1989-01-01

    A theorem on the O(3) nonlinear sigma model with the topological theta term is proved, which states that the ground-state energy at theta = pi is always higher than the ground-state energy at theta = 0, for the same value of the coupling constant g. Provided that the nonlinear sigma model gives the correct description for the Heisenberg spin chains in the large-s limit, this theorem makes a definite prediction relating the ground-state energies of the half-integer and the integer spin chains. The ground-state energies obtained from the exact Bethe ansatz solution for the spin-1/2 chain and the numerical diagonalization on the spin-1, spin-3/2, and spin-2 chains support this prediction.

  9. Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

    NASA Technical Reports Server (NTRS)

    Salter, Latasha M.; Chaban, Galina M.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four tautomeric forms are considered, and their energetic order is found to be different on the ground and the excited state potential energy surfaces. Minimum energy reaction paths are obtained for hydrogen atom transfer (tautomerization) reactions in the ground and the lowest excited electronic states. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic states, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. This tautomerization process should become possible in the presence of water or other polar solvent molecules and should play an important role in the photochemistry of adenine.

  10. Ground and excited states of CaSH through electron propagator calculations

    NASA Astrophysics Data System (ADS)

    Ortiz, J. V.

    1990-05-01

    Electron propagator calculations of electron affinities of CaSH + produce ground and excited state energies at the optimized, C s minimum of the neutral ground state and at a C ∞v geometry. Feynman-Dyson amplitudes (FDAs) describe the distribution of the least bound electron in various states. The neutral ground state differs from the cation by the occupation of a one-electron state dominated by Ca s functions. Described by FDAs with Ca-S π pseudosymmetry, corresponding excited states have unpaired electrons in orbitals displaying interference between Ca p and d functions. Above these lies a σ pseudosymmetry FDA with principal contributions from Ca d functions. Two FDAs with σ pseudosymmetry follow. Higher excited states exhibit considerable delocalization onto S.

  11. Ground-state information geometry and quantum criticality in an inhomogeneous spin model

    NASA Astrophysics Data System (ADS)

    Ma, Yu-Quan

    2015-09-01

    We investigate the ground-state Riemannian metric and the cyclic quantum distance of an inhomogeneous quantum spin-1/2 chain in a transverse field. This model can be diagonalized by using a general canonical transformation to the fermionic Hamiltonian mapped from the spin system. The ground-state Riemannian metric is derived exactly on a parameter manifold ring S1, which is introduced by performing a gauge transformation to the spin Hamiltonian through a twist operator. The cyclic ground-state quantum distance and the second derivative of the ground-state energy are studied in different exchange coupling parameter regions. Particularly, we show that, in the case of exchange coupling parameter Ja = Jb, the quantum ferromagnetic phase can be characterized by an invariant quantum distance and this distance will decay to zero rapidly in the paramagnetic phase. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404023 and 11347131).

  12. Lower bounds to energies for cusped-gaussian wavefunctions. [hydrogen atom ground state

    NASA Technical Reports Server (NTRS)

    Eaves, J. O.; Walsh, B. C.; Steiner, E.

    1974-01-01

    Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

  13. Experimental linear-optics simulation of ground-state of an Ising spin chain.

    PubMed

    Xue, Peng; Zhan, Xian; Bian, Zhihao

    2017-05-19

    We experimentally demonstrate a photonic quantum simulator: by using a two-spin Ising chain (an isolated dimer) as an example, we encode the wavefunction of the ground state with a pair of entangled photons. The effect of magnetic fields, leading to a critical modification of the correlation between two spins, can be simulated by just local operations. With the ratio of simulated magnetic fields and coupling strength increasing, the ground state of the system changes from a product state to an entangled state and back to another product state. The simulated ground states can be distinguished and the transformations between them can be observed by measuring correlations between photons. This simulation of the Ising model with linear quantum optics opens the door to the future studies which connect quantum information and condensed matter physics.

  14. Teaching Absolute Value Meaningfully

    ERIC Educational Resources Information Center

    Wade, Angela

    2012-01-01

    What is the meaning of absolute value? And why do teachers teach students how to solve absolute value equations? Absolute value is a concept introduced in first-year algebra and then reinforced in later courses. Various authors have suggested instructional methods for teaching absolute value to high school students (Wei 2005; Stallings-Roberts…

  15. Ordered ground states of metallic hydrogen and deuterium

    NASA Technical Reports Server (NTRS)

    Ashcroft, N. W.

    1981-01-01

    The physical attributes of some of the more physically distinct ordered states of metallic hydrogen and metallic deuterium at T = 0 and nearby are discussed. The likelihood of superconductivity in both is considered with respect to the usual coupling via the density fluctuations of the ions.

  16. Structures and Binding Energies of the Naphthalene Dimer in Its Ground and Excited States.

    PubMed

    Dubinets, N O; Safonov, A A; Bagaturyants, A A

    2016-05-05

    Possible structures of the naphthalene dimer corresponding to local energy minima in the ground and excited (excimer) electronic states are comprehensively investigated using DFT-D and TDDFT-D methods with a special accent on the excimer structures. The corresponding binding and electronic transition energies are calculated, and the nature of the electronic states in different structures is analyzed. Several parallel (stacked) and T-shaped structures were found in both the ground and excited (excimer) states in a rather narrow energy range. The T-shaped structure with the lowest energy in the excited state exhibits a marked charge transfer from the upright molecule to the base one.

  17. Relative or Absolute Standards for Child Poverty: A State-Level Analysis of Infant and Child Mortality

    PubMed Central

    Hillemeier, Marianne M.; Lynch, John; Harper, Sam; Raghunathan, Trivellore; Kaplan, George A.

    2003-01-01

    Objectives. The purpose of the present study was to compare the associations of state-referenced and federal poverty measures with states’ infant and child mortality rates. Methods. Compressed mortality and Current Population Survey data were used to examine relationships between mortality and (1) state-referenced poverty (percentage of children below half the state median income) and (2) percentage of children below the federal poverty line. Results. State-referenced poverty was not associated with mortality among infants or children, whereas poverty as defined by national standards was strongly related to mortality. Conclusions. Infant and child mortality is more closely tied to families’ capacity for meeting basic needs than to relative position within a state’s economic hierarchy. PMID:12660213

  18. Gapless Spin-Liquid Ground State in the S =1 /2 Kagome Antiferromagnet

    NASA Astrophysics Data System (ADS)

    Liao, H. J.; Xie, Z. Y.; Chen, J.; Liu, Z. Y.; Xie, H. D.; Huang, R. Z.; Normand, B.; Xiang, T.

    2017-03-01

    The defining problem in frustrated quantum magnetism, the ground state of the nearest-neighbor S =1 /2 antiferromagnetic Heisenberg model on the kagome lattice, has defied all theoretical and numerical methods employed to date. We apply the formalism of tensor-network states, specifically the method of projected entangled simplex states, which combines infinite system size with a correct accounting for multipartite entanglement. By studying the ground-state energy, the finite magnetic order appearing at finite tensor bond dimensions, and the effects of a next-nearest-neighbor coupling, we demonstrate that the ground state is a gapless spin liquid. We discuss the comparison with other numerical studies and the physical interpretation of this result.

  19. Ground state of Ho atoms on Pt(111) metal surfaces: Implications for magnetism

    NASA Astrophysics Data System (ADS)

    Karbowiak, M.; Rudowicz, C.

    2016-05-01

    We investigated the ground state of Ho atoms adsorbed on the Pt(111) surface, for which conflicting results exist. The density functional theory (DFT) calculations yielded the Ho ground state as | Jz=±8 > . Interpretation of x-ray absorption spectroscopy and x-ray magnetic circular dichroism spectra and the magnetization curves indicated the ground state as | Jz=±6 > . Superposition model is employed to predict the crystal-field (CF) parameters based on the structural data for the system Ho/Pt(111) obtained from the DFT modeling. Simultaneous diagonalization of the free-ion (HFI) and the trigonal CF Hamiltonian (HCF) within the whole configuration 4 f10 of H o3 + ion was performed. The role of the trigonal CF terms, neglected in the pure uniaxial CF model used previously for interpretation of experimental spectra, is found significant, whereas the sixth-rank CF terms may be neglected in agreement with the DFT predictions. The results provide substantial support for the experimental designation of the | Jz=±6 > ground state, albeit with subtle difference due to admixture of other | Jz> states, but run against the DFT-based designation of the | Jz=±8 > ground state. A subtle splitting of the ground energy level with the state (predominantly), | Jz=±6 > is predicted. This paper provides better insight into the single-ion magnetic behavior of the Ho/Pt(111) system by helping to resolve the controversy concerning the Ho ground state. Experimental techniques with greater resolution powers are suggested for direct confirmation of this splitting and C3 v symmetry experienced by the Ho atom.

  20. Ground-water recharge in humid areas of the United States: A summary of Ground-Water Resources Program studies, 2003-2006

    USGS Publications Warehouse

    Delin, Geoffrey N.; Risser, Dennis W.

    2007-01-01

    Increased demands on water resources by a growing population and recent droughts have raised awareness about the adequacy of ground-water resources in humid areas of the United States. The spatial and temporal variability of ground-water recharge are key factors that need to be quantified to determine the sustainability of ground-water resources. Ground-water recharge is defined herein as the entry into the saturated zone of water made available at the water-table surface, together with the associated flow away from the water table within the saturated zone (Freeze and Cherry, 1979). In response to the need for better estimates of ground-water recharge, the Ground-Water Resources Program (GWRP) of the U.S. Geological Survey (USGS) began an initiative in 2003 to estimate ground-water recharge rates in the relatively humid areas of the United States.

  1. Observation of double-well potential of NaH C 1Σ+ state: Deriving the dissociation energy of its ground state

    NASA Astrophysics Data System (ADS)

    Chu, Chia-Ching; Huang, Hsien-Yu; Whang, Thou-Jen; Tsai, Chin-Chun

    2018-03-01

    Vibrational levels (v = 6-42) of the NaH C 1Σ+ state including the inner and outer wells and the near-dissociation region were observed by pulsed optical-optical double resonance fluorescence depletion spectroscopy. The absolute vibrational quantum number is identified by comparing the vibrational energy difference of this experiment with the ab initio calculations. The outer well with v up to 34 is analyzed using the Dunham expansion and a Rydberg-Klein-Rees (RKR) potential energy curve is constructed. A hybrid double-well potential combined with the RKR potential, the ab initio calculation, and a long-range potential is able to describe the whole NaH C 1Σ+ state including the higher vibrational levels (v = 35-42). The dissociation energy of the NaH C 1Σ+ state is determined to be De(C) = 6595.10 ± 5 cm-1 and then the dissociation energy of the NaH ground state De(X) = 15 807.87 ± 5 cm-1 can be derived.

  2. Determination and Comparison of Carbonyl Stretching Frequency of a Ketone in Its Ground State and the First Electronic Excited State

    ERIC Educational Resources Information Center

    Bandyopadhyay, Subhajit; Roy, Saswata

    2014-01-01

    This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…

  3. Making Classical Ground State Spin Computing Fault-Tolerant

    DTIC Science & Technology

    2010-06-24

    approaches to perebor (brute-force searches) algorithms,” IEEE Annals of the History of Computing, 6, 384–400 (1984). [24] D. Bacon and S . T. Flammia ...Adiabatic gate teleportation,” Phys. Rev. Lett., 103, 120504 (2009). [25] D. Bacon and S . T. Flammia , “Adiabatic cluster state quantum computing...v1 [ co nd -m at . s ta t- m ec h] 2 2 Ju n 20 10 Report Documentation Page Form ApprovedOMB No. 0704-0188 Public reporting burden for the

  4. Ground state energy of solid molecular hydrogen at high pressure

    NASA Technical Reports Server (NTRS)

    Ebner, C.; Sung, C. C.

    1972-01-01

    The present status of the theoretical equation of state of solid molecular hydrogen is reviewed. Different quantum mechanical calculations by several groups lead to results which generally agree with each other but which disagree systematically with the measured pressure-volume curve at pressures larger than about 3000 atm. A new calculation of this curve is presented including the effect of the anisotropic interaction between H2 molecules within a completely quantum-mechanical formalism. The results show that inclusion of this interaction removes the discrepancy between theory and experiment at high pressures and that a quantum-mechanical treatment is necessary to realize its full effect.

  5. Entanglement spectra of superconductivity ground states on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Predin, Sonja; Schliemann, John

    2017-12-01

    We analytically evaluate the entanglement spectra of the superconductivity states in graphene, primarily focusing on the s-wave and chiral dx2-y2 + idxy dx2-y2+idxy-> superconductivity states. We demonstrate that the topology of the entanglement Hamiltonian can differ from that of the subsystem Hamiltonian. In particular, the topological properties of the entanglement Hamiltonian of the chiral dx2-y2 + idxy dx2-y2+idxy-> superconductivity state obtained by tracing out one spin direction clearly differ from those of the time-reversal invariant Hamiltonian of noninteracting fermions on the honeycomb lattice.

  6. Millimeter and Submillimeter Wave Spectra of the HCOO^{13}CH_{3} Isotopolog of Methylformate in the Ground State and in the First Excited Torsional State.

    NASA Astrophysics Data System (ADS)

    Haykal, I.; Margules, L.; Huet, T. R.; Motiyenko, R. A.; Carvajal, M.; Kleiner, I.; Guillemin, J. C.; Tercero, B.; Cernicharo, J.

    2013-06-01

    The detection of nineteen new rotational transitions of the parent molecule of methylformate (HCOOCH_{3}) in the second lowest excited torsional mode (ν_{t} =2) was recently reported in Orion-KL, as well as the detection of eighty new lines corresponding to the two ^{18}O isotopologs of methylformate in their ground states. The laboratory work on HCOO^{13}CH_{3} was continued. A wide spectral range from 50 to 940 GHz was recorded in Lille with the submillimeter-wave spectrometer based on harmonic generation of a microwave synthesizer source, using a multiplication chain of solid state sources (50-100 and 150-940 GHz) and a backward wave oscillator (100-150 GHz), and coupled to a 2.2 m cell. The absolute accuracy of the line positions is better than 30 kHz up to 630 GHz and 50 kHz above. The two states (ν_{t} = 0 and 1) were fitted together using the RAM Hamiltonian of the BELGI program and a new set of 45 parameters was accurately determined. The fit contains 7050 lines corresponding to the ground state up to J = 78 and K_{a} = 34 and 1907 lines related to ν_{t} =1 up to J = 59 and K_{a} = 24. The detection of new ν_{t} =1 lines in Orion KL will be reported and discussed. This work is supported by the French Programme National de Physico-Chimie du Milieu Interstellaire (CNRS), by CNES, and by the Spanish Government through the grants FIS2011-28738-C02-02 and CONSOLIDER 2009-00038. S. Takano, Y. Sakai, S. Kakimoto, M. Sasaki, and K. Kobayashi PASJ. {64}, 89, 2012. B. Tercero, et al. A& A. {538}, A199, 2012. M. Carvajal, et al. A& A. {500}, 1109, 2009.

  7. Surface modification using low energy ground state ion beams

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael H. (Inventor); Orient, Otto J. (Inventor)

    1990-01-01

    A method of effecting modifications at the surfaces of materials using low energy ion beams of known quantum state, purity, flux, and energy is presented. The ion beam is obtained by bombarding ion-generating molecules with electrons which are also at low energy. The electrons used to bombard the ion generating molecules are separated from the ions thus obtained and the ion beam is directed at the material surface to be modified. Depending on the type of ion generating molecules used, different ions can be obtained for different types of surface modifications such as oxidation and diamond film formation. One area of application is in the manufacture of semiconductor devices from semiconductor wafers.

  8. Canonical ensemble ground state and correlation entropy of Bose-Einstein condensate

    NASA Astrophysics Data System (ADS)

    Svidzinsky, Anatoly; Kim, Moochan; Agarwal, Girish; Scully, Marlan O.

    2018-01-01

    Constraint of a fixed total number of particles yields a correlation between the fluctuation of particles in different states in the canonical ensemble. Here we show that, below the temperature of Bose-Einstein condensation (BEC), the correlation part of the entropy of an ideal Bose gas is cancelled by the ground-state contribution. Thus, in the BEC region, the thermodynamic properties of the gas in the canonical ensemble can be described accurately in a simplified model which excludes the ground state and assumes no correlation between excited levels.

  9. Heat of formation determination of the ground and excited state of cyanomethylene (HCCN) radical

    NASA Technical Reports Server (NTRS)

    Francisco, Joseph S.

    1994-01-01

    Ab initio electronic structure theory has been used to characterize the structure of the ground triplet and lowest singlet excited states of cyanomethylene. The geometries, vibrational frequencies, and heats of formation have been determined using second-order Moller-Plesset perturbation, single and double excitation configuration interaction, and quadratic configuration interaction theory. The heat of formation is predicted with isodesmic reaction and Gaussian-2 theory (G2) for the ground triplet and first excited singlet states of cyanomethylene. For the ground state Delta-H(sub 0)(sup f,0) is 114.8+/-2 kcal/mol while for the excited single state it is 126.5+/-2 kcal/mol.

  10. Spin-Orbit Coupling Controlled J = 3 / 2 Electronic Ground State in 5 d 3 Oxides

    SciTech Connect

    Taylor, A. E.; Calder, S.; Morrow, R.

    Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum and topological physical states. Here we report resonant inelastic x-ray scattering measurements of the transition metal oxides Ca3LiOsO6 and Ba2YOsO6, which reveals a dramatic spitting of the t2g manifold. We invoke an intermediate coupling approach that incorporates both spin-orbit coupling and electron-electron interactions on an even footing and reveal that the ground state of 5d3-based compounds, which has remained elusive in previously applied models, is a novel spin-orbit entangled J=3/2 electronic ground state. This work reveals the hidden diversity of spin-orbit controlled ground states in 5dmore » systems and introduces a new arena in the search for spin-orbit controlled phases of matter.« less

  11. Observation of ground-state quantum beats in atomic spontaneous emission.

    PubMed

    Norris, D G; Orozco, L A; Barberis-Blostein, P; Carmichael, H J

    2010-09-17

    We report ground-state quantum beats in spontaneous emission from a continuously driven atomic ensemble. Beats are visible only in an intensity autocorrelation and evidence spontaneously generated coherence in radiative decay. Our measurement realizes a quantum eraser where a first photon detection prepares a superposition and a second erases the "which path" information in the intermediate state.

  12. Description of ground and excited electronic states by ensemble density functional method with extended active space

    SciTech Connect

    Filatov, Michael; Martínez, Todd J.; Kim, Kwang S.

    An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4) method, designed to describe the ground electronic states of strongly multireference systems is modified to enable calculation of excited states within the time-independent variational formalism. The new method, the state-interaction state-averaged REKS(4,4), i.e., SI-SA-REKS(4,4), is capable of describing several excited states of a molecule involving double bond cleavage, polyradical character, or multiple chromophoric units.We demonstrate that the newmethod correctly describes the ground and the lowest singlet excited states of a molecule (ethylene) undergoing double bond cleavage. The applicability of the new method for excitonic states is illustrated withmore » π stacked ethylene and tetracene dimers. We conclude that the new method can describe a wide range of multireference phenomena.« less

  13. Description of ground and excited electronic states by ensemble density functional method with extended active space

    DOE PAGES

    Filatov, Michael; Martínez, Todd J.; Kim, Kwang S.

    2017-08-14

    An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4) method, designed to describe the ground electronic states of strongly multireference systems is modified to enable calculation of excited states within the time-independent variational formalism. The new method, the state-interaction state-averaged REKS(4,4), i.e., SI-SA-REKS(4,4), is capable of describing several excited states of a molecule involving double bond cleavage, polyradical character, or multiple chromophoric units.We demonstrate that the newmethod correctly describes the ground and the lowest singlet excited states of a molecule (ethylene) undergoing double bond cleavage. The applicability of the new method for excitonic states is illustrated withmore » π stacked ethylene and tetracene dimers. We conclude that the new method can describe a wide range of multireference phenomena.« less

  14. Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.

    PubMed

    Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally

    2016-03-21

    We report the exceptional observation of two different magnetic ground states (MGS), spin glass (SG, T(B) = 7 K) and ferrimagnet (FI, T(C) = 18 K), for one crystal structure of [{Mn(II)(D/L-NH2ala)}3{Mn(III)(CN)6}]·3H2O obtained from [Mn(CN)6](3-) and D/L-aminoalanine, in contrast to one MGS for [{Mn(II)(L-NH2ala)}3{Cr(III)(CN)6}]·3H2O. They consist of three Mn(NH2ala) helical chains bridged by M(III)(CN)6 to give the framework with disordered water molecules in channels and between the M(III)(CN)6. Both MGS are characterized by a negative Weiss constant, bifurcation in ZFC-FC magnetizations, blocking of the moments, both components of the ac susceptibilities, and hysteresis. They differ in the critical temperatures, absolute magnetization for 5 Oe FC (lack of spontaneous magnetization for the SG), and the shapes of the hysteresis and coercive fields. While isotropic pressure increases both T(crit) and the magnetizations linearly and reversibly in each case, dehydration progressively transforms the FI into the SG as followed by concerted in situ magnetic measurements and single-crystal diffraction. The relative strengths of the two moderate Mn(III)-CN-Mn(II) antiferromagnetic (J1 and J2), the weak Mn(II)-OCO-Mn(II) (J3), and Dzyaloshinkii-Moriya antisymmetric (DM) interactions generate the two sets of characters. Examination of the bond lengths and angles for several crystals and their corresponding magnetic properties reveals a correlation between the distortion of Mn(III)(CN)6 and the MGS. SG is favored by higher magnetic anisotropy by less distorted Mn(III)(CN)6 in good accordance with the Mn-Cr system. This conclusion is also born out of the magnetization measurements on orientated single crystals with fields parallel and perpendicular to the unique c axis of the hexagonal space group.

  15. Particulate matter air quality assessment over southeast United States using satellite and ground measurements

    NASA Astrophysics Data System (ADS)

    Gupta, Pawan

    Fine particles (PM2.5, particles with aerodynamic diameter less than 2.5 mum) can penetrate deep inside the human lungs and recent scientific studies have shown thousands of deaths occur each year around the world, prematurely, due to a high concentration of particulate matter. Therefore, monitoring and forecasting of surface level fine particulate matter air quality is very important. Typically air quality measurements are made from ground stations. In recent years, linear regression relationships between satellite derived aerosol optical thickness (AOT) and surface measured PM2.5 mass concentration are formed and used to estimate PM2.5 in the areas where surface measurements are not available. This type of simple linear relationships varies with regions and seasons, and does not provide accurate enough estimation of surface level pollution and many studies have shown that AOT alone is not sufficient for PM2.5 mass concentration estimations. Furthermore, AOT represents aerosol loading in the entire column of the atmosphere whereas PM2.5 is measured at the surface; hence, the knowledge of vertical distribution of aerosols coupled with meteorology becomes critical in PM2.5 estimations. In this dissertation I used three years (2004-2006) of coincident hourly PM2.5, MODerate resolution Imaging Spectroradiometer (MODIS) derived AOT, and Rapid Update Cycle (RUC) analyzed meteorological fields to assess PM2.5 air quality in the Southeast United States. I explored the use of two-variate (TVM), multi-variate (MVM) and artificial neural network (ANN) methods for estimating PM2.5 over 85 stations in the region. First, satellite data were analyzed for sampling biases, quality, and impact of clouds. Results show that MODIS-Terra AOT data was available only about 50% of the days in any given month due to cloud over and unfavorable surface conditions, but this produced a sampling bias of less than 2 mugm-3. Results indicate that there is up to three fold improvements in the

  16. Ground Water Atlas of the United States: Introduction and national summary

    USGS Publications Warehouse

    Miller, James A.

    1999-01-01

    The Ground Water Atlas of the United States provides a summary of the most important information available for each principal aquifer, or rock unit that will yield usable quantities of water to wells, throughout the 50 States, Puerto Rico, and the U.S. Virgin Islands. The Atlas is an outgrowth of the Regional Aquifer-System Analysis (RASA) program of the U.S. Geological Survey (USGS), a program that investigated 24 of the most important aquifers and aquifer systems of the Nation and one in the Caribbean Islands (fig. 1). The objectives of the RASA program were to define the geologic and hydrologic frameworks of each aquifer system, to assess the geochemistry of the water in the system, to characterize the ground-water flow system, and to describe the effects of development on the flow system. Although the RASA studies did not cover the entire Nation, they compiled much of the data needed to make the National assessments of ground-water resources presented in the Ground Water Atlas of the United States. The Atlas, however, describes the location, extent, and geologic and hydrologic characteristics of all the important aquifers in the United States, including those not studied by the RASA program. The Atlas is written so that it can be understood by readers who are not hydrologists. Simple language is used to explain technical terms. The principles that control the presence, movement, and chemical quality of ground water in different climatic, topographic, and geologic settings are clearly illustrated. The Atlas is, therefore, useful as a teaching tool for introductory courses in hydrology or hydrogeology at the college level and as an overview of ground-water conditions for consultants who need information about an individual aquifer. It also serves as an introduction to regional and National ground-water resources for lawmakers, personnel of local, State, or Federal agencies, or anyone who needs to understand ground-water occurrence, movement, and quality. The

  17. Arsenic in ground water of the United States: occurrence and geochemistry

    USGS Publications Warehouse

    Welch, Alan H.; Westjohn, D.B.; Helsel, Dennis R.; Wanty, Richard B.

    2000-01-01

    Concentrations of naturally occurring arsenic in ground water vary regionally due to a combination of climate and geology. Although slightly less than half of 30,000 arsenic analyses of ground water in the United States were 1 μg/L, about 10% exceeded 10 μg/L. At a broad regional scale, arsenic concentrations exceeding 10 μg/L appear to be more frequently observed in the western United States than in the eastern half. Arsenic concentrations in ground water of the Appalachian Highlands and the Atlantic Plain generally are very low ( 1 μg/L). Concentrations are somewhat greater in the Interior Plains and the Rocky Mountain System. Investigations of ground water in New England, Michigan, Minnesota, South Dakota, Oklahoma, and Wisconsin within the last decade suggest that arsenic concentrations exceeding 10 μg/L are more widespread and common than previously recognized.Arsenic release from iron oxide appears to be the most common cause of widespread arsenic concentrations exceeding 10 μg/L in ground water. This can occur in response to different geochemical conditions, including release of arsenic to ground water through reaction of iron oxide with either natural or anthropogenic (i.e., petroleum products) organic carbon. Iron oxide also can release arsenic to alkaline ground water, such as that found in some felsic volcanic rocks and alkaline aquifers of the western United States. Sulfide minerals are both a source and sink for arsenic. Geothermal water and high evaporation rates also are associated with arsenic concentrations 10g/L in ground and surface water, particularly in the west.Arsenic release from iron oxide appears to be the most common cause of widespread arsenic concentrations exceeding 10 µg/L a ground water. This can occur in response to different geochemical conditions, including release of arsenic to ground water through reaction of iron oxide with either natural or anthropogenic (i.e., petroleum products) organic carbon. Iron oxide also can

  18. Exact ground states and topological order in interacting Kitaev/Majorana chains

    NASA Astrophysics Data System (ADS)

    Katsura, Hosho; Schuricht, Dirk; Takahashi, Masahiro

    2015-09-01

    We study a system of interacting spinless fermions in one dimension that, in the absence of interactions, reduces to the Kitaev chain [Kitaev, Phys. Usp. 44, 131 (2001), 10.1070/1063-7869/44/10S/S29]. In the noninteracting case, a signal of topological order appears as zero-energy modes localized near the edges. We show that the exact ground states can be obtained analytically even in the presence of nearest-neighbor repulsive interactions when the on-site (chemical) potential is tuned to a particular function of the other parameters. As with the noninteracting case, the obtained ground states are twofold degenerate and differ in fermionic parity. We prove the uniqueness of the obtained ground states and show that they can be continuously deformed to the ground states of the noninteracting Kitaev chain without gap closing. We also demonstrate explicitly that there exists a set of operators each of which maps one of the ground states to the other with opposite fermionic parity. These operators can be thought of as an interacting generalization of Majorana edge zero modes.

  19. Construction of ground-state preserving sparse lattice models for predictive materials simulations

    NASA Astrophysics Data System (ADS)

    Huang, Wenxuan; Urban, Alexander; Rong, Ziqin; Ding, Zhiwei; Luo, Chuan; Ceder, Gerbrand

    2017-08-01

    First-principles based cluster expansion models are the dominant approach in ab initio thermodynamics of crystalline mixtures enabling the prediction of phase diagrams and novel ground states. However, despite recent advances, the construction of accurate models still requires a careful and time-consuming manual parameter tuning process for ground-state preservation, since this property is not guaranteed by default. In this paper, we present a systematic and mathematically sound method to obtain cluster expansion models that are guaranteed to preserve the ground states of their reference data. The method builds on the recently introduced compressive sensing paradigm for cluster expansion and employs quadratic programming to impose constraints on the model parameters. The robustness of our methodology is illustrated for two lithium transition metal oxides with relevance for Li-ion battery cathodes, i.e., Li2xFe2(1-x)O2 and Li2xTi2(1-x)O2, for which the construction of cluster expansion models with compressive sensing alone has proven to be challenging. We demonstrate that our method not only guarantees ground-state preservation on the set of reference structures used for the model construction, but also show that out-of-sample ground-state preservation up to relatively large supercell size is achievable through a rapidly converging iterative refinement. This method provides a general tool for building robust, compressed and constrained physical models with predictive power.

  20. Ground-state Properties of Inhomogeneous Graphene Sheets

    NASA Astrophysics Data System (ADS)

    Polini, Marco

    2009-03-01

    .S. Novoselov, and A.K. Geim, arXiv:0709.1163v2 (2007).[0pt] [2] M. Polini, A. Tomadin, R. Asgari, and A.H. MacDonald, Phys. Rev. B 78, 115426 (2008).[0pt] [3] Y. Barlas, T. Pereg-Barnea, M. Polini, R. Asgari, and A.H. MacDonald, Phys. Rev. Lett. 98, 236601 (2007); M. Polini, R. Asgari, Y. Barlas, T. Pereg-Barnea, and A.H. MacDonald, Solid State Commun. 143, 58 (2007). [0pt] [4] E.H. Hwang, B.Y.-K. Hu, and S. Das Sarma, Phys. Rev. Lett. 99, 226801 (2007).[0pt] [5] J. Martin, N. Akerman, G. Ulbricht, T. Lohmann, J.H. Smet, K. von Klitzing, and A. Yacoby, Nature Phys. 4, 144 (2008).[0pt] [6] V.W. Brar, Y. Zhang, C. Girit, F. Wang, A. Zettl, and M. Crommie, Bull. Am. Phys. Soc. 53 (2), 443 (2008).

  1. Absolute differential cross sections for electron impact excitation of the 10.8-11.5 eV energy-loss states of CO2

    NASA Astrophysics Data System (ADS)

    Green, M. A.; Teubner, P. J. O.; Campbell, L.; Brunger, M. J.; Hoshino, M.; Ishikawa, T.; Kitajima, M.; Tanaka, H.; Itikawa, Y.; Kimura, M.; Buenker, R. J.

    2002-02-01

    Absolute differential cross sections (DCSs) for electron impact excitation of electronic states of CO2 in the 10.8-11.5 eV energy-loss range are reported. These data were obtained at the incident electron energies 20,30,60,100 and 200 eV and over the scattered electron angular range 3.5°-90°. The accuracy of our experimental methods has been established independently by using several different normalization techniques at both Sophia and Flinders Universities. Generalized oscillator strengths were derived from our measured DCSs and then extrapolated to zero momentum transfer, in order to determine the optical oscillator strengths. These optical oscillator strengths, where possible, are compared with the results from previous measurements and calculations.

  2. Decoherence induced deformation of the ground state in adiabatic quantum computation.

    PubMed

    Deng, Qiang; Averin, Dmitri V; Amin, Mohammad H; Smith, Peter

    2013-01-01

    Despite more than a decade of research on adiabatic quantum computation (AQC), its decoherence properties are still poorly understood. Many theoretical works have suggested that AQC is more robust against decoherence, but a quantitative relation between its performance and the qubits' coherence properties, such as decoherence time, is still lacking. While the thermal excitations are known to be important sources of errors, they are predominantly dependent on temperature but rather insensitive to the qubits' coherence. Less understood is the role of virtual excitations, which can also reduce the ground state probability even at zero temperature. Here, we introduce normalized ground state fidelity as a measure of the decoherence-induced deformation of the ground state due to virtual transitions. We calculate the normalized fidelity perturbatively at finite temperatures and discuss its relation to the qubits' relaxation and dephasing times, as well as its projected scaling properties.

  3. Decoherence induced deformation of the ground state in adiabatic quantum computation

    PubMed Central

    Deng, Qiang; Averin, Dmitri V.; Amin, Mohammad H.; Smith, Peter

    2013-01-01

    Despite more than a decade of research on adiabatic quantum computation (AQC), its decoherence properties are still poorly understood. Many theoretical works have suggested that AQC is more robust against decoherence, but a quantitative relation between its performance and the qubits' coherence properties, such as decoherence time, is still lacking. While the thermal excitations are known to be important sources of errors, they are predominantly dependent on temperature but rather insensitive to the qubits' coherence. Less understood is the role of virtual excitations, which can also reduce the ground state probability even at zero temperature. Here, we introduce normalized ground state fidelity as a measure of the decoherence-induced deformation of the ground state due to virtual transitions. We calculate the normalized fidelity perturbatively at finite temperatures and discuss its relation to the qubits' relaxation and dephasing times, as well as its projected scaling properties. PMID:23528821

  4. Ground state energy of electrons in a static point-ion lattice

    NASA Technical Reports Server (NTRS)

    Styer, D. F.; Ashcroft, N. W.

    1983-01-01

    The ground state energy of a neutral collection of protons and electrons was investigated under the assumption that in the ground state configuration, static protons occupy the sites of a rigid Bravais lattice. The Wigner-Seitz method was used in conjunction with three postulated potentials: bare Coulomb, Thomas-Fermi screening, and screening by a uniform bare background charge. Within these approximations, the exact band-minimum energy and wave functions are derived. For each of the three potentials, the approximate minimum ground state energy per proton (relative to isolated electrons and protons) is, respectively, -1.078 Ry, -1.038 Ry, and -1.052 Ry. These three minima all fall at a density of about 0.60 gm/cu cm, which is thus an approximate lower bound on the density of metallic hydrogen at its transition pressure.

  5. Exact ground-state correlation functions of an atomic-molecular Bose–Einstein condensate model

    NASA Astrophysics Data System (ADS)

    Links, Jon; Shen, Yibing

    2018-05-01

    We study the ground-state properties of an atomic-molecular Bose–Einstein condensate model through an exact Bethe Ansatz solution. For a certain range of parameter choices, we prove that the ground-state Bethe roots lie on the positive real-axis. We then use a continuum limit approach to obtain a singular integral equation characterising the distribution of these Bethe roots. Solving this equation leads to an analytic expression for the ground-state energy. The form of the expression is consistent with the existence of a line of quantum phase transitions, which has been identified in earlier studies. This line demarcates a molecular phase from a mixed phase. Certain correlation functions, which characterise these phases, are then obtained through the Hellmann–Feynman theorem.

  6. Van der Waals potential and vibrational energy levels of the ground state radon dimer

    NASA Astrophysics Data System (ADS)

    Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

    2017-08-01

    In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

  7. Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet

    SciTech Connect

    Fu, Mingxuan; Imai, Takahashi; Han, Tian -Heng

    2015-11-06

    Here, the kagome Heisenberg antiferromagnet is a leading candidate in the search for a spin system with a quantum spin-liquid ground state. The nature of its ground state remains a matter of active debate. We conducted oxygen-17 single-crystal nuclear magnetic resonance (NMR) measurements of the spin-1/2 kagome lattice in herbertsmithite [ZnCu 3(OH) 6Cl 2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χkagome, deduced from the oxygen-17 NMR frequency shift, asymptotes to zero below temperatures of 0.03J, where J ~ 200 kelvin is the copper-copper superexchange interaction.more » Combined with the magnetic field dependence of χ kagome that we observed at low temperatures, these results imply that the kagome Heisenberg antiferromagnet has a spin-liquid ground state with a finite gap.« less

  8. Broken vertex symmetry and finite zero-point entropy in the artificial square ice ground state

    SciTech Connect

    Gliga, Sebastian; Kákay, Attila; Heyderman, Laura J.

    In this paper, we study degeneracy and entropy in the ground state of artificial square ice. In theoretical models, individual nanomagnets are typically treated as single spins with only two degrees of freedom, leading to a twofold degenerate ground state with intensive entropy and thus no zero-point entropy. Here, we show that the internal degrees of freedom of the nanostructures can result, through edge bending of the magnetization and breaking of local magnetic symmetry at the vertices, in a transition to a highly degenerate ground state with finite zero-point entropy, similar to that of the pyrochlore spin ices. Finally, wemore » find that these additional degrees of freedom have observable consequences in the resonant spectrum of the lattice, and predict the occurrence of edge “melting” above a critical temperature at which the magnetic symmetry is restored.« less

  9. Broken vertex symmetry and finite zero-point entropy in the artificial square ice ground state

    DOE PAGES

    Gliga, Sebastian; Kákay, Attila; Heyderman, Laura J.; ...

    2015-08-26

    In this paper, we study degeneracy and entropy in the ground state of artificial square ice. In theoretical models, individual nanomagnets are typically treated as single spins with only two degrees of freedom, leading to a twofold degenerate ground state with intensive entropy and thus no zero-point entropy. Here, we show that the internal degrees of freedom of the nanostructures can result, through edge bending of the magnetization and breaking of local magnetic symmetry at the vertices, in a transition to a highly degenerate ground state with finite zero-point entropy, similar to that of the pyrochlore spin ices. Finally, wemore » find that these additional degrees of freedom have observable consequences in the resonant spectrum of the lattice, and predict the occurrence of edge “melting” above a critical temperature at which the magnetic symmetry is restored.« less

  10. Formation of Triplet Positron-helium Bound State by Stripping of Positronium Atoms in Collision with Ground State Helium

    NASA Technical Reports Server (NTRS)

    Drachman, Richard J.

    2006-01-01

    Formation of triplet positron-helium bound state by stripping of positronium atoms in collision with ground state helium JOSEPH DI RlENZI, College of Notre Dame of Maryland, RICHARD J. DRACHMAN, NASA/Goddard Space Flight Center - The system consisting of a positron and a helium atom in the triplet state e(+)He(S-3)(sup e) was conjectured long ago to be stable [1]. Its stability has recently been established rigorously [2], and the values of the energies of dissociation into the ground states of Ps and He(+) have also been reported [3] and [4]. We have evaluated the cross-section for this system formed by radiative attachment of a positron in triplet He state and found it to be small [5]. The mechanism of production suggested here should result in a larger cross-section (of atomic size) which we are determining using the Born approximation with simplified initial and final wave functions.

  11. v-representability and density functional theory. [for nonrelativistic electrons in nondegenerate ground state

    NASA Technical Reports Server (NTRS)

    Kohn, W.

    1983-01-01

    It is shown that if n(r) is the discrete density on a lattice (enclosed in a finite box) associated with a nondegenerate ground state in an external potential v(r) (i.e., is 'v-representable'), then the density n(r) + mu(r), with m(r) arbitrary (apart from trivial constraints) and mu small enough, is also associated with a nondegenerate ground state in an external potential v'(r) near v(r); i.e., n(r) + m(r) is also v-representable. Implications for the Hohenberg-Kohn variational principle and the Kohn-Sham equations are discussed.

  12. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    NASA Astrophysics Data System (ADS)

    Borges, L. H. C.; Barone, F. A.

    2016-02-01

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.

  13. Charmonium ground and excited states at finite temperature from complex Borel sum rules

    NASA Astrophysics Data System (ADS)

    Araki, Ken-Ji; Suzuki, Kei; Gubler, Philipp; Oka, Makoto

    2018-05-01

    Charmonium spectral functions in vector and pseudoscalar channels at finite temperature are investigated through the complex Borel sum rules and the maximum entropy method. Our approach enables us to extract the peaks corresponding to the excited charmonia, ψ‧ and ηc‧ , as well as those of the ground states, J / ψ and ηc, which has never been achieved in usual QCD sum rule analyses. We show the spectral functions in vacuum and their thermal modification around the critical temperature, which leads to the almost simultaneous melting (or peak disappearance) of the ground and excited states.

  14. The Pressure Coefficients of the Superconducting Order Parameters at the Ground State of Ferromagnetic Superconductors

    NASA Astrophysics Data System (ADS)

    Konno, R.; Hatayama, N.; Chaudhury, R.

    2014-04-01

    We investigated the pressure coefficients of the superconducting order parameters at the ground state of ferromagnetic superconductors based on the microscopic single band model by Linder et al. The superconducting gaps (i) similar to the ones seen in the thin film of A2 phase in liquid 3He and (ii) with the line node were used. This study shows that we would be able to estimate the pressure coefficients of the superconducting and magnetic order parameters at the ground state of ferromagnetic superconductors.

  15. The Hyperfine Structure of the Ground State in the Muonic Helium Atoms

    NASA Astrophysics Data System (ADS)

    Aznabayev, D. T.; Bekbaev, A. K.; Korobov, V. I.

    2018-05-01

    Non-relativistic ionization energies 3He2+μ-e- and 4He2+μ-e- of helium-muonic atoms are calculated for ground states. The calculations are based on the variational method of the exponential expansion. Convergence of the variational energies is studied by an increasing of a number of the basis functions N. This allows to claim that the obtained energy values have 26 significant digits for ground states. With the obtained results we calculate hyperfine splitting of the muonic helium atoms.

  16. Machine Learning Technique to Find Quantum Many-Body Ground States of Bosons on a Lattice

    NASA Astrophysics Data System (ADS)

    Saito, Hiroki; Kato, Masaya

    2018-01-01

    We have developed a variational method to obtain many-body ground states of the Bose-Hubbard model using feedforward artificial neural networks. A fully connected network with a single hidden layer works better than a fully connected network with multiple hidden layers, and a multilayer convolutional network is more efficient than a fully connected network. AdaGrad and Adam are optimization methods that work well. Moreover, we show that many-body ground states with different numbers of particles can be generated by a single network.

  17. The g Factors of Ground State of Ruby and Their Pressure-Induced Shifts

    NASA Astrophysics Data System (ADS)

    Ma, Dongping; Zhang, Hongmei; Chen, Jurong; Liu, Yanyun

    1998-12-01

    By using the theory of pressure-induced shifts and the eigenfunctions at normal and various pressures obtained from the diagonalization of the complete d3 energy matrix adopting C3v symmetry, g factors of the ground state of ruby and their pressure-induced shifts have been calculated. The results are in very good agreement with the experimental data. For the precise calculation of properties of the ground skate, it is necessary to take into account the effects of all the excited states by the diagonalization of the complete energy matrix. The project (Grant No. 19744001) supported by National Natural Science Foundation of China

  18. Reactive ground-state pathways are not ubiquitous in red/green cyanobacteriochromes.

    PubMed

    Chang, Che-Wei; Gottlieb, Sean M; Kim, Peter W; Rockwell, Nathan C; Lagarias, J Clark; Larsen, Delmar S

    2013-09-26

    Recent characterization of the red/green cyanobacteriochrome (CBCR) NpR6012g4 revealed a high quantum yield for its forward photoreaction [J. Am. Chem. Soc. 2012, 134, 130-133] that was ascribed to the activity of hidden, productive ground-state intermediates. The dynamics of the pathways involving these ground-state intermediates was resolved with femtosecond dispersed pump-dump-probe spectroscopy, the first such study reported for any CBCR. To address the ubiquity of such second-chance initiation dynamics (SCID) in CBCRs, we examined the closely related red/green CBCR NpF2164g6 from Nostoc punctiforme. Both NpF2164g6 and NpR6012g4 use phycocyanobilin as the chromophore precursor and exhibit similar excited-state dynamics. However, NpF2164g6 exhibits a lower quantum yield of 32% for the generation of the isomerized Lumi-R primary photoproduct, compared to 40% for NpR6012g4. This difference arises from significantly different ground-state dynamics between the two proteins, with the SCID mechanism deactivated in NpF2164g6. We present an integrated inhomogeneous target model that self-consistently fits the pump-probe and pump-dump-probe signals for both forward and reverse photoreactions in both proteins. This work demonstrates that reactive ground-state intermediates are not ubiquitous phenomena in CBCRs.

  19. A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

    SciTech Connect

    Wang, Hanquan, E-mail: hanquan.wang@gmail.com; Yunnan Tongchang Scientific Computing and Data Mining Research Center, Kunming, Yunnan Province, 650221

    In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can bemore » computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.« less

  20. A Rigorous Investigation on the Ground State of the Penson-Kolb Model

    NASA Astrophysics Data System (ADS)

    Yang, Kai-Hua; Tian, Guang-Shan; Han, Ru-Qi

    2003-05-01

    By using either numerical calculations or analytical methods, such as the bosonization technique, the ground state of the Penson-Kolb model has been previously studied by several groups. Some physicists argued that, as far as the existence of superconductivity in this model is concerned, it is canonically equivalent to the negative-U Hubbard model. However, others did not agree. In the present paper, we shall investigate this model by an independent and rigorous approach. We show that the ground state of the Penson-Kolb model is nondegenerate and has a nonvanishing overlap with the ground state of the negative-U Hubbard model. Furthermore, we also show that the ground states of both the models have the same good quantum numbers and may have superconducting long-range order at the same momentum q = 0. Our results support the equivalence between these models. The project partially supported by the Special Funds for Major State Basic Research Projects (G20000365) and National Natural Science Foundation of China under Grant No. 10174002

  1. Resonant two-photon ionization spectroscopy of jet-cooled UN: determination of the ground state.

    PubMed

    Matthew, Daniel J; Morse, Michael D

    2013-05-14

    The optical transitions of supersonically cooled uranium nitride (UN) have been investigated in the range from 19,200 to 23,900 cm(-1) using resonant two-photon ionization spectroscopy. A large number of bands have been observed, of which seven have been rotationally resolved and analyzed. All are found to arise from the same state, which is presumably the ground state of the molecule. From the analysis of the bands, the ground state has Ω = 3.5, with a bond length of 1.7650(12) Å. Comparisons to the known isovalent molecules are made, and the variations in ground state configuration are explained in terms of the configurational reordering that occurs with changes in the nuclear and ligand charges. It is concluded that the UN molecule is best considered as a U(3+)N(3-) species in which the closed shell nitride ligand interacts with a U(3+) ion. The ground state of the molecule derives from a U(3+) ion in its 7s(1)5f 2) atomic configuration.

  2. Ground state destabilization from a positioned general base in the ketosteroid isomerase active site.

    PubMed

    Ruben, Eliza A; Schwans, Jason P; Sonnett, Matthew; Natarajan, Aditya; Gonzalez, Ana; Tsai, Yingssu; Herschlag, Daniel

    2013-02-12

    We compared the binding affinities of ground state analogues for bacterial ketosteroid isomerase (KSI) with a wild-type anionic Asp general base and with uncharged Asn and Ala in the general base position to provide a measure of potential ground state destabilization that could arise from the close juxtaposition of the anionic Asp and hydrophobic steroid in the reaction's Michaelis complex. The analogue binding affinity increased ~1 order of magnitude for the Asp38Asn mutation and ~2 orders of magnitude for the Asp38Ala mutation, relative to the affinity with Asp38, for KSI from two sources. The increased level of binding suggests that the abutment of a charged general base and a hydrophobic steroid is modestly destabilizing, relative to a standard state in water, and that this destabilization is relieved in the transition state and intermediate in which the charge on the general base has been neutralized because of proton abstraction. Stronger binding also arose from mutation of Pro39, the residue adjacent to the Asp general base, consistent with an ability of the Asp general base to now reorient to avoid the destabilizing interaction. Consistent with this model, the Pro mutants reduced or eliminated the increased level of binding upon replacement of Asp38 with Asn or Ala. These results, supported by additional structural observations, suggest that ground state destabilization from the negatively charged Asp38 general base provides a modest contribution to KSI catalysis. They also provide a clear illustration of the well-recognized concept that enzymes evolve for catalytic function and not, in general, to maximize ground state binding. This ground state destabilization mechanism may be common to the many enzymes with anionic side chains that deprotonate carbon acids.

  3. Rayleigh approximation to ground state of the Bose and Coulomb glasses

    PubMed Central

    Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.

    2015-01-01

    Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties. PMID:25592417

  4. Rayleigh approximation to ground state of the Bose and Coulomb glasses

    DOE PAGES

    Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; ...

    2015-01-16

    Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Ourmore » findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.« less

  5. Historical Analysis and Charaterization of Ground Level Ozone for Canada and United State

    NASA Astrophysics Data System (ADS)

    Lin, H.; Li, H.; Auld, H.

    2003-12-01

    Ground-level ozone has long been recognized as an important health and ecosystem-related air quality concern in Canada and the United States. In this work we seek to understand the characteristics of ground level ozone conditions for Canada and United States to support the Ozone Annex under the Canada-U.S. Air Quality Agreement. Our analyses are based upon the data collected by Canadian National Air Pollution Surveillance (NAPS, the NAPS database has also been expanded to include U.S. EPA ground level ozone data) network. Historical ozone data from 1974 to 2002 at a total of 538 stations (253 Canadian stations and 285 U.S. stations) were statistically analyzed using several methodologies including the Canada Wide Standard (CWS). A more detailed analysis including hourly, daily, monthly, seasonally and yearly ozone concentration distributions and trends was undertaken for 54 stations.

  6. Bibliography on ground water in glacial-aquifer systems in the Northeastern United States

    USGS Publications Warehouse

    Wiltshire, Denise A.; Lyford, Forest P.; Cohen, A.J.

    1986-01-01

    The U.S. Geological Survey established the Regional Aquifer-System Analysis (RASA) program to evaluate major interconnected aquifers or groups of aquifers that share similar characteristics within a region. One of the objectives of the Northeastern Glacial RASA is to provide information on the occurrence and quality of ground water in glacial deposits in ten States: Maine, New Hampshire, Vermont, Massachusetts, Rhode Island, Connecticut, New York, Ohio, Pennsylvania, and New Jersey. To help meet the objectives of the RASA program, an automated bibliographic data base was developed. The data base contains references to ground-water resources of glacial-aquifer systems in the ten States listed above. This bibliography contains more than 700 ground-water related references that date from 1839 through 1984. The bibliography lists books, journal articles, conference proceedings, government and other technical reports, theses, and maps. Unpublished manuscripts, publications in press, newspaper articles, and book reviews are omitted from the bibliography.

  7. Systematic study of α preformation probability of nuclear isomeric and ground states

    NASA Astrophysics Data System (ADS)

    Sun, Xiao-Dong; Wu, Xi-Jun; Zheng, Bo; Xiang, Dong; Guo, Ping; Li, Xiao-Hua

    2017-01-01

    In this paper, based on the two-potential approach combining with the isospin dependent nuclear potential, we systematically compare the α preformation probabilities of odd-A nuclei between nuclear isomeric states and ground states. The results indicate that during the process of α particle preforming, the low lying nuclear isomeric states are similar to ground states. Meanwhile, in the framework of single nucleon energy level structure, we find that for nuclei with nucleon number below the magic numbers, the α preformation probabilities of high-spin states seem to be larger than low ones. For nuclei with nucleon number above the magic numbers, the α preformation probabilities of isomeric states are larger than those of ground states. Supported by National Natural Science Foundation of China (11205083), Construct Program of Key Discipline in Hunan Province, Research Foundation of Education Bureau of Hunan Province, China (15A159), Natural Science Foundation of Hunan Province, China (2015JJ3103, 2015JJ2123), Innovation Group of Nuclear and Particle Physics in USC, Hunan Provincial Innovation Foundation for Postgraduate (CX2015B398)

  8. The laboratory millimeter-wave spectrum of methyl formate in its ground torsional E state

    NASA Technical Reports Server (NTRS)

    Plummer, G. M.; Herbst, E.; De Lucia, F. C.; Blake, G. A.

    1986-01-01

    Over 250 rotational transitions of the internal rotor methyl formate (HCOOCH3) in its ground v(t) = 0 degenerate (E) torsional substate have been measured in the millimeter-wave spectral region. These data and a number of E-state lines identified by several other workers have been analyzed using an extension of the classical principal-axis method in the high barrier limit. The resulting rotational constants allow accurate prediction of the v(t) = 0 E substate methyl formate spectrum below 300 GHz between states with angular momentum J not greater than 30 and rotational energy of not more than 350/cm. The calculated transition frequencies for the E state, when combined with the results of the previous analysis of the ground-symmetric, nondegenerate state, account for over 200 of the emission lines observed toward Orion in a recent survey of the 215-265 GHz band.

  9. Magnetic ground state of the layered honeycomb compound Na2Co2TeO6

    NASA Astrophysics Data System (ADS)

    Bera, A. K.; Yusuf, S. M.

    2018-04-01

    The magnetic correlations in the 2D layered honeycomb compound Na2Co2TeO6 has been investigated. The temperature dependent susceptibility curve reveals a transition to the magnetically ordered state at TN ˜ 25 K. The temperature dependent neutron diffraction study confirms an antiferromagnetic ordering below TN. The magnetic ground state is determined to be a zigzag antiferromagnet that appears due to competing exchange interactions beyond nearest neighbors. The moments align along the crystallographic b axis with reduced ordered magnetic moment values of 2.72(2) μB/Co2+ and 2.52(3) μB/Co2+ for two Co sites, respectively. In comparison to the theoretical phase diagram the determined zigzag antiferromagnetic ground state suggests that the compound Na2Co2TeO6 is situated in the proximity to the quantum spin liquid state in the phase diagram.

  10. Determination of many-electron basis functions for a quantum Hall ground state using Schur polynomials

    NASA Astrophysics Data System (ADS)

    Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik

    2018-03-01

    A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.

  11. On the Ground Electronic States of TiF and TiCl

    PubMed

    Boldyrev; Simons

    1998-04-01

    The low-lying electronic states of TiF and TiCl have been studied using high level ab initio techniques. Both are found to have two low-lying excited electronic states, 4Sigma- (0.080 eV (TiF) and 0.236 eV (TiCl)) and 2Delta (0.266 eV (TiF) and 0.348 eV (TiCl)), and 4Phi ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of 4Phi ground electronic states for TiF and TiCl support recent experimental findings by Ram and Bernath, and our calculated bond lengths and vibrational frequencies are in reasonable agreement with their experimental data. Copyright 1998 Academic Press.

  12. On the Ground Electronic States of TiF and TiCl

    NASA Astrophysics Data System (ADS)

    Boldyrev, Alexander I.; Simons, Jack

    1998-04-01

    The low-lying electronic states of TiF and TiCl have been studied using high levelab initiotechniques. Both are found to have two low-lying excited electronic states,4Σ-(0.080 eV (TiF) and 0.236 eV (TiCl)) and2Δ (0.266 eV (TiF) and 0.348 eV (TiCl)), and4Φ ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of4Φ ground electronic states for TiF and TiCl support recent experimental findings by Ram and Bernath, and our calculated bond lengths and vibrational frequencies are in reasonable agreement with their experimental data.

  13. Experimental Insights into Ground-State Selection of Quantum XY Pyrochlores

    NASA Astrophysics Data System (ADS)

    Hallas, Alannah M.; Gaudet, Jonathan; Gaulin, Bruce D.

    2018-03-01

    Extensive experimental investigations of the magnetic structures and excitations in the XY pyrochlores have been carried out over the past decade. Three families of XY pyrochlores have emerged: Yb2B2O7, Er2B2O7, and, most recently, [Formula: see text]Co2F7. In each case, the magnetic cation (either Yb, Er, or Co) exhibits XY anisotropy within the local pyrochlore coordinates, a consequence of crystal field effects. Materials in these families display rich phase behavior and are candidates for exotic ground states, such as quantum spin ice, and exotic ground-state selection via order-by-disorder mechanisms. In this review, we present an experimental summary of the ground-state properties of the XY pyrochlores, including evidence that they are strongly influenced by phase competition. We empirically demonstrate the signatures for phase competition in a frustrated magnet: multiple heat capacity anomalies, suppressed TN or TC, sample- and pressure-dependent ground states, and unconventional spin dynamics.

  14. Ground-state-entanglement bound for quantum energy teleportation of general spin-chain models

    NASA Astrophysics Data System (ADS)

    Hotta, Masahiro

    2013-03-01

    Many-body quantum systems in the ground states have zero-point energy due to the uncertainty relation. In many cases, the system in the ground state accompanies spatially entangled energy density fluctuation via the noncommutativity of the energy density operators, though the total energy takes a fixed value, i.e., the lowest eigenvalue of the Hamiltonian. Quantum energy teleportation (QET) is a protocol for the extraction of the zero-point energy out of one subsystem using information of a remote measurement of another subsystem. From an operational viewpoint of protocol users, QET can be regarded as an effective rapid energy transportation without breaking all physical laws, including causality and local energy conservation. In the protocol, the ground-state entanglement plays a crucial role. In this paper, we show analytically for a general class of spin-chain systems that the entanglement entropy is lower bounded by a positive quadratic function of the teleported energy between the regions of a QET protocol. This supports a general conjecture that ground-state entanglement is an evident physical resource for energy transportation in the context of QET. The result may also deepen our understanding of the energy density fluctuation in condensed-matter systems from a perspective of quantum information theory.

  15. On the ground state energy of the delta-function Fermi gas

    NASA Astrophysics Data System (ADS)

    Tracy, Craig A.; Widom, Harold

    2016-10-01

    The weak coupling asymptotics to order γ of the ground state energy of the delta-function Fermi gas, derived heuristically in the literature, is here made rigorous. Further asymptotics are in principle computable. The analysis applies to the Gaudin integral equation, a method previously used by one of the authors for the asymptotics of large Toeplitz matrices.

  16. Ground-state energy of an exciton-(LO) phonon system in a parabolic quantum well

    NASA Astrophysics Data System (ADS)

    Gerlach, B.; Wüsthoff, J.; Smondyrev, M. A.

    1999-12-01

    This paper presents a variational study of the ground-state energy of an exciton-(LO) phonon system, which is spatially confined to a quantum well. The exciton-phonon interaction is of Fröhlich type, the confinement potentials are assumed to be parabolic functions of the coordinates. Making use of functional integral techniques, the phonon part of the problem can be eliminated exactly, leading us to an effective two-particle system, which has the same spectral properties as the original one. Subsequently, Jensen's inequality is applied to obtain an upper bound on the ground-state energy. The main intention of this paper is to analyze the influence of the quantum-well-induced localization of the exciton on its ground-state energy (or its binding energy, respectively). To do so, we neglect any mismatch of the masses or the dielectric constants, but admit an arbitrary strength of the confinement potentials. Our approach allows for a smooth interpolation of the ultimate limits of vanishing and infinite confinement, corresponding to the cases of a free three-dimensional and a free two-dimensional exciton-phonon system. The interpolation formula for the ground-state energy bound corresponds to similar formulas for the free polaron or the free exciton-phonon system. These bounds in turn are known to compare favorably with all previous ones, which we are aware of.

  17. Magnetostriction-driven ground-state stabilization in 2H perovskites

    DOE PAGES

    Porter, D. G.; Senn, M. S.; Khalyavin, D. D.; ...

    2016-10-04

    In this paper, the magnetic ground state of Sr 3ARuO 6, with A =(Li,Na), is studied using neutron diffraction, resonant x-ray scattering, and laboratory characterization measurements of high-quality crystals. Combining these results allows us to observe the onset of long-range magnetic order and distinguish the symmetrically allowed magnetic models, identifying in-plane antiferromagnetic moments and a small ferromagnetic component along the c axis. While the existence of magnetic domains masks the particular in-plane direction of the moments, it has been possible to elucidate the ground state using symmetry considerations. We find that due to the lack of local anisotropy, antisymmetric exchangemore » interactions control the magnetic order, first through structural distortions that couple to in-plane antiferromagnetic moments and second through a high-order magnetoelastic coupling that lifts the degeneracy of the in-plane moments. Finally, the symmetry considerations used to rationalize the magnetic ground state are very general and will apply to many systems in this family, such as Ca 3ARuO 6, with A = (Li,Na), and Ca 3LiOsO 6 whose magnetic ground states are still not completely understood.« less

  18. Distribution of Elevated Nitrate Concentrations in Ground Water in Washington State

    USGS Publications Warehouse

    Frans, Lonna

    2008-01-01

    More than 60 percent of the population of Washington State uses ground water for their drinking and cooking needs. Nitrate concentrations in ground water are elevated in parts of the State as a result of various land-use practices, including fertilizer application, dairy operations and ranching, and septic-system use. Shallow wells generally are more vulnerable to nitrate contamination than deeper wells (Williamson and others, 1998; Ebbert and others, 2000). In order to protect public health, the Washington State Department of Health requires that public water systems regularly measure nitrate in their wells. Public water systems serving more than 25 people collect water samples at least annually; systems serving from 2 to 14 people collect water samples at least every 3 years. Private well owners serving one residence may be required to sample when the well is first drilled, but are unregulated after that. As a result, limited information is available to citizens and public health officials about potential exposure to elevated nitrate concentrations for people whose primary drinking-water sources are private wells. The U.S. Geological Survey and Washington State Department of Health collaborated to examine water-quality data from public water systems and develop models that calculate the probability of detecting elevated nitrate concentrations in ground water. Maps were then developed to estimate ground water vulnerability to nitrate in areas where limited data are available.

  19. Use of ground-penetrating radar to study tree roots in the southeastern United States

    Treesearch

    John R. Butnor; J.A. Doolittle; L. Kress; Susan Cohen; Kurt H. Johnsen

    2001-01-01

    Summary: The objectives of our study were to assess the feasibility of using ground-penetrating radar (GPR) to study roots over a broad range of soil conditions in the southeastern United States. Study sites were located in the Southern Piedmont, Carolina Sandhills and Atlantic Coast Flatwoods. At each site, we tested for selection of the appropriate...

  20. Enhancement of short-pulse recombination-pumped gain by soft-x-ray photoionization of the ground state

    NASA Astrophysics Data System (ADS)

    Apruzese, J. P.; Umstadter, D.

    1996-02-01

    The gain achieved in lasing to the ground state following short-pulse field ionization by a pump laser is highly transient. It will usually persist for only tens of picoseconds because of the rapid filling and negligible emptying of the ground state. Employing a detailed atomic model of lasing in hydrogen, we show that the removal of ground-state population by an appropriate broadband ionizing radiation field can enhance and prolong the gain in such a laser.

  1. Effect of temperature on the single-particle ground-state energy of a polar quantum dot with Gaussian confinement

    SciTech Connect

    Jahan, Luhluh K., E-mail: luhluhjahan@gmail.com; Chatterjee, Ashok

    2016-05-23

    The temperature and size dependence of the ground-state energy of a polaron in a Gaussian quantum dot have been investigated by using a variational technique. It is found that the ground-state energy increases with increasing temperature and decreases with the size of the quantum dot. Also, it is found that the ground-state energy is larger for a three-dimensional quantum dot as compared to a two-dimensional dot.

  2. Long-range interactions between polar bialkali ground-state molecules in arbitrary vibrational levels

    SciTech Connect

    Vexiau, R.; Lepers, M., E-mail: maxence.lepers@u-psud.fr; Aymar, M.

    2015-06-07

    We have calculated the isotropic C{sub 6} coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state X{sup 1}Σ{sup +}. We consider the ten species made up of {sup 7}Li, {sup 23}Na, {sup 39}K, {sup 87}Rb, and {sup 133}Cs. Following our previous work [Lepers et al., Phys. Rev. A 88, 032709 (2013)], we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels,more » and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it is applied for each of the three contributions to the sum-over-state formula. Our results are particularly relevant in the context of inelastic and reactive collisions between ultracold bialkali molecules in deeply bound or in Feshbach levels.« less

  3. National and State Attitudes of US Adults Toward Tobacco-Free School Grounds, 2009-2010.

    PubMed

    Kruger, Judy; Patel, Roshni; Kegler, Michelle C; Brener, Nancy D; King, Brian A

    2015-12-31

    Schools are an important environment for addressing tobacco use among youth. Tobacco-free school policies can help reduce the social acceptability of tobacco use and prevent tobacco initiation among youth. This study assessed attitudes toward tobacco-free school grounds among US adults. Data came from the 2009-2010 National Adult Tobacco Survey, a telephone survey of adults aged 18 or older in the 50 US states and District of Columbia. Respondents were considered to have a favorable attitude toward tobacco-free school grounds if they reported tobacco use should be completely banned on school grounds, including fields and parking lots, and at all school events. Data were assessed using descriptive statistics and multivariable logistic regression, overall and by tobacco use status. Correlates were sex, age, race/ethnicity, education, marital status, income, sexual orientation, US region, and whether respondent lived with any children aged 17 years or younger. Nationally, 86.1% of adults had a favorable attitude toward tobacco-free school grounds, with larger percentages among nontobacco users (91.9%) than current users (76.1%). State prevalence ranged from 80.0% (Kentucky) to 90.9% (Washington). Overall odds of favorable attitudes were higher among nontobacco users (referent, current users), women (referent, men), and adults aged 25 or older (referent, aged 18-24); odds were lower among residents of the South (referent, West) and lesbian, gay, bisexual, or transgender adults (referent, heterosexual or straight). Nearly 9 in 10 US adults have a favorable attitude toward tobacco-free school grounds, but attitudes vary across states and subpopulations. Opportunities exist to educate the public about the benefits of tobacco-free school grounds, which might help reduce tobacco use among youth.

  4. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K [Pleasanton, CA; Snyderman, Neal J [Berkeley, CA; Rowland, Mark S [Alamo, CA

    2012-05-15

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  5. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K [Pleasanton, CA; Snyderman, Neal J [Berkeley, CA; Rowland, Mark S [Alamo, CA

    2010-07-13

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  6. Radon concentrations in ground and drinking water in the state of Chihuahua, Mexico.

    PubMed

    Villalba, L; Colmenero Sujo, L; Montero Cabrera, M E; Cano Jiménez, A; Rentería Villalobos, M; Delgado Mendoza, C J; Jurado Tenorio, L A; Dávila Rangel, I; Herrera Peraza, E F

    2005-01-01

    This paper reports (222)Rn concentrations in ground and drinking water of nine cities of Chihuahua State, Mexico. Fifty percent of the 114 sampled wells exhibited (222)Rn concentrations exceeding 11Bq/L, the maximum contaminant level (MCL) recommended by the USEPA. Furthermore, around 48% (123 samples) of the tap-water samples taken from 255 dwellings showed radon concentrations over the MCL. There is an apparent correlation between total dissolved solids and radon concentration in ground-water. The high levels of (222)Rn found may be entirely attributed to the nature of aquifer rocks.

  7. Ab initio study of the ground state surface of Cu3

    NASA Technical Reports Server (NTRS)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Walch, Stephen P.; Laskowski, Bernard C.

    1986-01-01

    The ground state surface of the metallic trimer Cu3 is investigated theoretically. Relativistic and correlation effects are taken into account in ab initio computations, which are calibrated against analogous computations for the 1Sigma(g)+ state of Cu2; the results are presented in tables and analyzed. The Cu3 ground state is found to have a 2B2 C(2v) structure with angle greater than 60 deg, lying 59/cm below a 2A1 C(2v) geometry and 280/cm below the D(3h) equilateral geometry. These findings are shown to be in good agreement with the experimental measurements of Rohlfing and Valentini (1986) and their analysis (in terms of a Jahn-Teller distortion of 2E-prime equilateral-triangle geometry) by Truhlar et al. (1986).

  8. Ground state for a massive scalar field in the BTZ spacetime with Robin boundary conditions

    NASA Astrophysics Data System (ADS)

    Bussola, Francesco; Dappiaggi, Claudio; Ferreira, Hugo R. C.; Khavkine, Igor

    2017-11-01

    We consider a real, massive scalar field in Bañados-Teitelboim-Zanelli spacetime, a 2 +1 -dimensional black hole solution of Einstein's field equations with a negative cosmological constant. First, we analyze the space of classical solutions in a mode decomposition, and we characterize the collection of all admissible boundary conditions of Robin type which can be imposed at infinity. Second, we investigate whether, for a given boundary condition, there exists a ground state by constructing explicitly its two-point function. We demonstrate that for a subclass of the boundary conditions it is possible to construct a ground state that locally satisfies the Hadamard property. In all other cases, we show that bound state mode solutions exist and, therefore, such construction is not possible.

  9. Hylleraas-Configuration Interaction study of the 1S ground state of the negative Li ion.

    PubMed

    Sims, James S

    2017-12-28

    In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1 S ground states of the beryllium isoelectronic sequence. The Li - ion, nominally the first member of this series, has a decidedly different electronic structure. This paper reports the results of a large, comparable calculation for the Li - ground state to explore how well the Hy-CI method can represent the more diffuse L shell of Li - which is representative of the Be(2sns) excited states as well. The best non-relativistic energy obtained was -7.500 776 596 hartree, indicating that 10 - 20 nh accuracy is attainable in Hy-CI and that convergence of the r 12 r 34 double cusp is fast and that this correlation type can be accurately represented within the Hy-CI model.

  10. Predictions of ground states of LiGa and NaGa

    NASA Astrophysics Data System (ADS)

    Boldyrev, Alexander I.; Simons, Jack

    1996-11-01

    The ground and very low-lying excited states of LiGa and NaGa have been studied using high level ab initio techniques. At the QCISD(T)/6-311 + G(2df) level of theory, the 1Σ + state was found to be the most stable for both molecules. The equilibrium bond lengths and dissociation energies were found to be: R( LiGa) = 2.865 Å and D0(LiGa) = 22.3 kcal/mol and R( NaGa) = 3.174 Å and D0(NaGa) = 17.1 kcal/mol. Trends within the ground electronic states of LiB, NaB, LiAl, NaAl, LiGa and NaGa are discussed and predictions for related AlkM (Alk LiCs and MBTl) species are made.

  11. Classification of matrix-product ground states corresponding to one-dimensional chains of two-state sites of nearest neighbor interactions

    NASA Astrophysics Data System (ADS)

    Fatollahi, Amir H.; Khorrami, Mohammad; Shariati, Ahmad; Aghamohammadi, Amir

    2011-04-01

    A complete classification is given for one-dimensional chains with nearest-neighbor interactions having two states in each site, for which a matrix product ground state exists. The Hamiltonians and their corresponding matrix product ground states are explicitly obtained.

  12. Ab initio study of the ground and excited electronic states of the methyl radical

    PubMed Central

    Zanchet, A.; Bañares, L.; Senent, M. L.; García-Vela, A.

    2016-01-01

    The ground and some excited electronic states of the methyl radical have been characterized by means of highly correlated ab intio techniques. The specific excited states investigated are those involved in the dissociation of the radical, namely the 3s and 3pz Rydberg states, and the A1 and B1 valence states crossing them, respectively. The C-H dissociative coordinate and the HCH bending angle were considered in order to generate the first two-dimensional ab initio representation of the potential surfaces of the above electronic states of CH3, along with the nonadiabatic couplings between them. Spectroscopic constants and frequencies calculated for the ground and bound excited states agree well with most of the available experimental data. Implications of the shape of the excited potential surfaces and couplings for the dissociation pathways of CH3 are discussed in the light of recent experimental results for dissociation from low-lying vibrational states of CH3. Based on the ab initio data some predictions are made regarding methyl photodissociation from higher initial vibrational states. PMID:27892569

  13. Ground-state candidate for the classical dipolar kagome Ising antiferromagnet

    NASA Astrophysics Data System (ADS)

    Chioar, I. A.; Rougemaille, N.; Canals, B.

    2016-06-01

    We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.

  14. Exponentially-Biased Ground-State Sampling of Quantum Annealing Machines with Transverse-Field Driving Hamiltonians

    NASA Technical Reports Server (NTRS)

    Mandra, Salvatore

    2017-01-01

    We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated to a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009)]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.

  15. Spin-isospin excitations from the ground-state of 64Ni

    NASA Astrophysics Data System (ADS)

    Popescu, L.; Adachi, T.; Bäumer, C.; Berg, G. P. A.; van den Berg, A. M.; von Brentano, P.; Frekers, D.; de Frenne, D.; Fujita, K.; Fujita, Y.; Grewe, E. W.; Haefner, P.; Hatanaka, K.; Hunyadi, M.; de Huu, M.; Jacobs, E.; Johansson, H.; Korff, A.; Negret, A.; Nakanishi, K.; von Neumann-Cosel, P.; Rakers, S.; Ryezayeva, N.; Sakemi, Y.; Shevchenko, A.; Shimbara, Y.; Shimizu, Y.; Simon, H.; Tameshige, Y.; Tamii, A.; Uchida, M.; Wörtche, H. J.; Yosoi, M.

    2006-03-01

    Spin-isospin (Gamow-Teller) excitations in 64Cu and 64Co have been studied using (3He,t) and (d,2He) charge-exchange reactions on 64Ni. As the isospin of the 64Ni ground-state is T0=4, states with T=3, 4 and 5 in 64Cu are excited via the (3He,t) reaction and states with T=5 in 64Co via (d,2He). If we assume that the nuclear interaction is charge symmetric, the T=5 states in 64Cu should appear at corresponding excitation energies (if corrected for the Coulomb displacement) and with similar strengths as the T=5 states in 64Co. As in the 64Cu spectrum the T=5 states are very weakly excited, only by combining the results of the two complementary experiments one can estimate the Gamow-Teller strength starting from 64Ni in a consistent way.

  16. Developing a state water plan: Ground-water conditions in Utah, spring of 1978

    USGS Publications Warehouse

    Gates, Joseph S.; Jibson, W.N.; Herbert, L.R.; Mower, R.W.; Razem, A.C.; Cordova, R.M.; Jensen, V.L.; ReMillard, M.D.; Emett, D.C.; Sumison, C.T.; Carroll, P.A.; DeGrand, M.J.; Sandberg, G.W.

    1978-01-01

    This report is the fifteenth in a series of annual reports that describe ground-water conditions in Utah. Reports in this series, prepared cooperatively by the U.S. Geological Survey and the Utah Division of Water Resources, provide data to enable interested parties to keep abreast of changing ground-water conditions.This report, like the others (see References, p. 13), contains information on well construction, ground-water withdrawals, water-level changes, and related changes in precipitation and streamflow. Supplementary data such as graphs showing chemical quality of water and maps showing water-table configuration are included in reports of this series only for those years or areas for which applicable data are available and are important to a discussion of changing ground-water conditions.This report includes individual discussions of selected major areas of ground-water withdrawal in the State for the calendar year 1977. Water-level fluctuations, however, are described for the period spring 1977 to spring 1978. Much of the data used in this report were collected by the U.S. Geological Survey in cooperation with the Division of Water Rights, Utah Department of Natural Resources.

  17. Developing a state water plan: Ground-water conditions in Utah, spring of 1979

    USGS Publications Warehouse

    Price, Don; Jibson, W.N.; Contratto, P. Kay; Mower, R.W.; Steiger, Judy I.; Jensen, V.L.; ReMillard, M.D.; Emett, D.C.; Sumison, C.T.; Carroll, P.A.; Neff, L.J.; Sandberg, G.W.; Herbert, L.R.

    1979-01-01

    This report is the sixteenth in a series of annual reports that describe ground-water conditions in Utah. Reports in this series, prepared cooperatively by the U.S. Geological Survey and the Utah Division of Water Resources, provide data to enable interested parties to keep abreast of changing ground-water conditions.This report, like the others in the series, contains information on well construction, ground-water withdrawals, water-level changes, and related changes in precipitation and streamflow. Supplementary data such as graphs showing chemical quality of water and maps showing water-table configuration are included in reports of this series only for those years or areas for which applicable data are available and are important to a discussion of changing ground-water conditions.This report includes individual discussions of selected major areas of ground-water withdrawal in the State for the calendar year 1978. Water-level fluctuations, however, are described for the period spring 1978 to spring 1979. Much of the data used in this report were collected by the U.S. Geological Survey in cooperation with the Division of Water Rights, Utah Department of Natural Resources.

  18. Maybe Some Big Ground Shakes One Hundred Years Ago in a Big State Near the Ocean Were Caused by People

    NASA Astrophysics Data System (ADS)

    Hough, S. E.; Tsai, V. C.; Walker, R.; Page, M. T.; Aminzadeh, F.

    2016-12-01

    Sometimes people put water deep into the ground to make it go away and sometimes this causes the ground to shake. Sometimes people take other stuff out of the ground because a lot of people buy this stuff to power cars. Usually when people take this stuff out of the ground it does not cause ground shakes. At least this is what we used to believe. For our study, we looked at ground shakes that caused houses to fall down almost 100 years ago in a big state near the water. They were large ground shakes. One was close to a big city where people make movies and one was a really big shake in another city in the same state. We asked the question, is it possible that these ground shakes happened because people took stuff out of the ground? We considered the places where the ground shakes happened and the places where people took a lot of stuff out of the ground. We show there is a pretty good chance that taking stuff out of the ground caused some pretty big ground shakes. We explain how ground shakes can happen when people take stuff out of the ground. Ground shakes happen on things called faults. When you take stuff out of the ground, usually that makes it harder for the fault to move. This is a good thing. But when the stuff is still deep under the ground, sometimes it also pushes against faults that are close by and helps keep them from moving. So when you take stuff out, it does not push on faults as much, and so sometimes that close-by fault can move and cause ground shakes. We use a computer to show that our idea can explain some of what we see. The idea is not perfect but we think it is a pretty good idea. Our idea explains why it does not usually cause ground shakes when people take stuff out of the ground, but sometimes big ground shakes happen. Our idea suggests that ground shakes caused by people can sometimes be very large. So if people take stuff out of the ground or put stuff in the ground, they need to know if there are faults close by.

  19. The role of ground water in the national water situation: With state summaries based on reports by District Offices of Ground Water Branch

    USGS Publications Warehouse

    McGuinness, Charles Lee

    1963-01-01

    This report outlines briefly the principles of water occurrence and describes the water situation in the United States as of 1960-61, with emphasis on the occurrence of ground water and the status of development and accompanying problems. The Nation has been divided into 10 major ground-water regions by H. E. Thomas (1952a). The report summarizes the occurrence and development of ground water in each of Thomas' regions. In a large terminal section it also describes the occurrence and development of water, again with emphasis on ground water, in each of the 50 States and in certain other areas. The main text ends with a discussion of the water situation and prospects of the Nation.

  20. Determination of ground and excited state dipole moments of dipolar laser dyes by solvatochromic shift method.

    PubMed

    Patil, S K; Wari, M N; Panicker, C Yohannan; Inamdar, S R

    2014-04-05

    The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Developing a state water plan: Ground-water conditions in Utah, spring of 1964

    USGS Publications Warehouse

    Arnow, Ted; Butler, R.G.; Mower, R.W.; Gates, Joseph S.; Cordova, R.M.; Carpenter, C.H.; Bjorklund, L.J.; Feltis, R.D.; Robinson, G.B. Jr.; Sandberg, G.W.

    1964-01-01

    This report is the first in a series of annual reports which will describe ground-water conditions in Utah. It was prepared cooperatively by the U.S. Geological Survey and the Utah Water and Power Board and was designed to provide the data for interested parties, such as legislators, administrators, and planners to keep abreast of changing ground-water conditions in the state. Because this report is the first of the series, it necessarily includes certain background and descriptive information which gives a broad general picture of ground-water conditions. Subsequent reports will discuss only changes that have taken place during the previous year.Many of the data used in the preparation of the report were collected by the Geological Survey in cooperation with the Utah State Engineer during past and continuing programs. The well-location map and some statistical information about numbers of wells in the State were prepared by digital computer from the Utah Resources Information System, University of Utah, utilizing records which were compiled largely from the files of the Utah State Engineer. R.E. Marsell, geological consultant to the Utah Water and Power Board, first suggested that this report be prepared.

  2. Approximate ground states of the random-field Potts model from graph cuts

    NASA Astrophysics Data System (ADS)

    Kumar, Manoj; Kumar, Ravinder; Weigel, Martin; Banerjee, Varsha; Janke, Wolfhard; Puri, Sanjay

    2018-05-01

    While the ground-state problem for the random-field Ising model is polynomial, and can be solved using a number of well-known algorithms for maximum flow or graph cut, the analog random-field Potts model corresponds to a multiterminal flow problem that is known to be NP-hard. Hence an efficient exact algorithm is very unlikely to exist. As we show here, it is nevertheless possible to use an embedding of binary degrees of freedom into the Potts spins in combination with graph-cut methods to solve the corresponding ground-state problem approximately in polynomial time. We benchmark this heuristic algorithm using a set of quasiexact ground states found for small systems from long parallel tempering runs. For a not-too-large number q of Potts states, the method based on graph cuts finds the same solutions in a fraction of the time. We employ the new technique to analyze the breakup length of the random-field Potts model in two dimensions.

  3. Correlation between ground state and orbital anisotropy in heavy fermion materials

    DOE PAGES

    Willers, Thomas; Strigari, Fabio; Hu, Zhiwei; ...

    2015-02-09

    The interplay of structural, orbital, charge, and spin degrees of freedom is at the heart of many emergent phenomena, including superconductivity. We find that unraveling the underlying forces of such novel phases is a great challenge because it not only requires understanding each of these degrees of freedom, it also involves accounting for the interplay between them. Cerium-based heavy fermion compounds are an ideal playground for investigating these interdependencies, and we present evidence for a correlation between orbital anisotropy and the ground states in a representative family of materials. We have measured the 4f crystal-electric field ground-state wave functions ofmore » the strongly correlated materials CeRh 1₋xIr xIn 5 with great accuracy using linear polarization-dependent soft X-ray absorption spectroscopy. These measurements show that these wave functions correlate with the ground-state properties of the substitution series, which covers long-range antiferromagnetic order, unconventional superconductivity, and coexistence of these two states.« less

  4. Nationwide outbreak of multidrug-resistant Salmonella Heidelberg infections associated with ground turkey: United States, 2011.

    PubMed

    Routh, J A; Pringle, J; Mohr, M; Bidol, S; Arends, K; Adams-Cameron, M; Hancock, W T; Kissler, B; Rickert, R; Folster, J; Tolar, B; Bosch, S; Barton Behravesh, C; Williams, I T; Gieraltowski, L

    2015-11-01

    On 23 May 2011, CDC identified a multistate cluster of Salmonella Heidelberg infections and two multidrug-resistant (MDR) isolates from ground turkey retail samples with indistinguishable pulsed-field gel electrophoresis patterns. We defined cases as isolation of outbreak strains in persons with illness onset between 27 February 2011 and 10 November 2011. Investigators collected hypothesis-generating questionnaires and shopper-card information. Food samples from homes and retail outlets were collected and cultured. We identified 136 cases of S. Heidelberg infection in 34 states. Shopper-card information, leftover ground turkey from a patient's home containing the outbreak strain and identical antimicrobial resistance profiles of clinical and retail samples pointed to plant A as the source. On 3 August, plant A recalled 36 million pounds of ground turkey. This outbreak increased consumer interest in MDR Salmonella infections acquired through United States-produced poultry and played a vital role in strengthening food safety policies related to Salmonella and raw ground poultry.

  5. Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

    PubMed

    Kvaal, Simen; Helgaker, Trygve

    2015-11-14

    The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

  6. Structure Effect of Squarylium Cyanine Dyes on Third-Order Optical Nonlinearities in Ground and Excited States

    NASA Astrophysics Data System (ADS)

    Liu, Xu-chun; Xu, Gang; Si, Jin-hai; Ye, Pei-xian; Lin, Tong; Peng, Bi-xian

    1999-08-01

    A series of squarylium cyanine dyes with different substituents were synthesized and the third-order optical nonlinearities of their ground and excited states were investigated by backward degenerate four-wave-mixing. For the ground state, the molecular hyperpolarizability γg increases with the red-shift of the absorption peak λmaxab of the squaraine with different substituents, whereas for the excited-state molecular hyperpolarizability γe, the nonlinear enhancement γe/γg decreases, which may indicate that in the excited state the electron accepting-donating ability of different substituents changes in the reverse order compared with the order in the ground state.

  7. Ground and Low-Lying Excited States of Interacting Electron Systems: A Survey and Some Critical Analyses

    NASA Astrophysics Data System (ADS)

    Farid, Behnam

    1999-12-01

    In this contribution we deal with a number of theoretical aspects concerning physics of systems of interacting electrons. Our discussions, although amenable to appropriate generalisations, are subject to some limitations. To name, we deal with systems of spin-less fermions — or those of spin-compensated fermions with spin —, with nondegenerate ground states, and those in which relativistic effects are negligible; we disregard ionic motions and deal with "normal" (not superconducting, for instance) systems that are in addition free from randomly distributed impurities. We restrict our considerations to the absolute zero of temperature. The Green and response functions feature in our theoretical considerations. Here we give especial attention to the analytic properties of these functions for complex values of energy. We discuss how, both fundamentally and from the practical viewpoint, ground and low-lying excited-states properties can be obtained from these correlation functions. Characterising low-lying excited states by means of elementary excitations, we deal with both those that are particle-like (the Landau quasi-particles) and those that are collective (plasmons, excitation in the total distribution of electrons). We devote some space to discussions concerning the domain of validity and breakdown of the many-body perturbation theory, specifically that for the single-particle Green function and the self-energy operator. Extensive analysis of the asymptotic behaviour of dynamic correlation functions in the limits of small and large energies reveal the significance of the Kohn-Sham-like Hamiltonians within the context of the many-body perturbation theory. In view of this, at places we pay especial attention to a number of the existing density-functional theories (including the ones for the single-particle reduced density matrix and time-dependent external potentials). We discuss in some detail a number of issues that are specific to the (phenomenological

  8. Ground Water Atlas of the United States: Segment 1, California, Nevada

    USGS Publications Warehouse

    Planert, Michael; Williams, John S.

    1995-01-01

    California and Nevada compose Segment 1 of the Ground Water Atlas of the United States. Segment 1 is a region of pronounced physiographic and climatic contrasts. From the Cascade Mountains and the Sierra Nevada of northern California, where precipitation is abundant, to the Great Basin in Nevada and the deserts of southern California, which have the most arid environments in the United States, few regions exhibit such a diversity of topography or environment. Since the discovery of gold in the mid-1800's, California has experienced a population, industrial, and agricultural boom unrivaled by that of any other State. Water needs in California are very large, and the State leads the United States in agricultural and municipal water use. The demand for water exceeds the natural water supply in many agricultural and nearly all urban areas. As a result, water is impounded by reservoirs in areas of surplus and transported to areas of scarcity by an extensive network of aqueducts. Unlike California, which has a relative abundance of water, development in Nevada has been limited by a scarcity of recoverable freshwater. The Truckee, the Carson, the Walker, the Humboldt, and the Colorado Rivers are the only perennial streams of significance in the State. The individual basin-fill aquifers, which together compose the largest known ground-water reserves, receive little annual recharge and are easily depleted. Nevada is sparsely populated, except for the Las Vegas, the Reno-Sparks, and the Carson City areas, which rely heavily on imported water for public supplies. Although important to the economy of Nevada, agriculture has not been developed to the same degree as in California due, in large part, to a scarcity of water. Some additional ground-water development might be possible in Nevada through prudent management of the basin-fill aquifers and increased utilization of ground water in the little-developed carbonate-rock aquifers that underlie the eastern one-half of the State

  9. Spin-polarized ground state and exact quantization at ν=5/2

    NASA Astrophysics Data System (ADS)

    Pan, Wei

    2002-03-01

    The nature of the even-denominator fractional quantum Hall effect at ν=5/2 remains elusive, in particular, its ground state spin-polarization. An earlier, so-called "hollow core" model arrived at a spin-unpolarized wave function. The more recent calculations based on a model of BCS-like pairing of composite fermions, however, suggest that its ground state is spin-polarized. In this talk, I will first review the earlier experiments and then present our recent experimental results showing evidence for a spin-polarized state at ν=5/2. Our ultra-low temperature experiments on a high quality sample established the fully developed FQHE state at ν=5/2 as well as at ν=7/3 and 8/3, manifested by a vanishing R_xx and exact quantization of the Hall plateau. The tilted field experiments showed that the added in-plane magnetic fields not only destroyed the FQHE at ν=5/2, as seen before, but also induced an electrical anisotropy, which is now interpreted as a phase transition from a paired, spin-polarized ν=5/2 state to a stripe phase, not unlike the ones at ν=9/2, 11/2, etc in the N > 1 higher Landau levels. Furthermore, in the experiments on the heterojunction insulated-gate field-effect transistors (HIGFET) at dilution refrigerator temperatures, a strong R_xx minimum and a concomitant developing Hall plateau were observed at ν=5/2 in a magnetic field as high as 12.6 Tesla. This and the subsequent density dependent studies of its energy gap largely rule out a spin-singlet state and point quite convincingly towards a spin-polarized ground state at ν=5/2.

  10. Classical and quantum filaments in the ground state of trapped dipolar Bose gases

    NASA Astrophysics Data System (ADS)

    Cinti, Fabio; Boninsegni, Massimo

    2017-07-01

    We study, by quantum Monte Carlo simulations, the ground state of a harmonically confined dipolar Bose gas with aligned dipole moments and with the inclusion of a repulsive two-body potential of varying range. Two different limits can clearly be identified, namely, a classical one in which the attractive part of the dipolar interaction dominates and the system forms an ordered array of parallel filaments and a quantum-mechanical one, wherein filaments are destabilized by zero-point motion, and eventually the ground state becomes a uniform cloud. The physical character of the system smoothly evolves from classical to quantum mechanical as the range of the repulsive two-body potential increases. An intermediate regime is observed in which ordered filaments are still present, albeit forming different structures from the ones predicted classically; quantum-mechanical exchanges of indistinguishable particles across different filaments allow phase coherence to be established, underlying a global superfluid response.

  11. Bogolyubov inequality for the ground state and its application to interacting rotor systems

    NASA Astrophysics Data System (ADS)

    Wojtkiewicz, Jacek; Pusz, Wiesław; Stachura, Piotr

    2017-10-01

    We have formulated and proved the Bogolyubov inequality for operators at zero temperature. So far this inequality has been known for matrices, and we were able to extend it to certain class of operators. We have also applied this inequality to the system of interacting rotors. We have shown that if: (i) the dimension of the lattice is 1 or 2, (ii) the interaction decreases sufficiently fast with a distance, and (iii) there is an energy gap over the ground state, then the spontaneous magnetization in the ground state is zero, i.e. there is no LRO in the system. We present also heuristic arguments (of perturbation-theoretic nature) suggesting that one- and two-dimensional systems of interacting rotors have the energy gap independent of the system size if the interaction is sufficiently small.

  12. Ground-state properties of the three-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Zhang, Shiwei; Vitali, Ettore; Chiciak, Adam; Shi, Hao

    The three-band Hubbard model proposed by Emery describes the CuO2 plane in cuprate superconductors by retaining both Cu and O orbitals in a minimal sense. Applying the latest developments in the auxiliary-field quantum Monte Carlo (AFQMC) method, we investigate ground-state properties of this model at half-filling and when lightly (under-)doped. The AFQMC uses generalized Hartree-Fock (GHF) trial wave functions to control the sign problem. A self-consistent constraint is applied. We also determine the unrestricted Hartree-Fock (UHF) and GHF ground states and compare their predictions with those from AFQMC. Similarities and differences between the three-band model and one-band Hubbard model will be discussed. Supported by NSF, and the Simons Foundation. Computing is carried out at the Extreme Science and Engineering Discovery Environment(XSEDE).

  13. Phase diagram of quantum critical system via local convertibility of ground state

    PubMed Central

    Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

    2016-01-01

    We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models. PMID:27381284

  14. Analytical ground state for the Jaynes-Cummings model with ultrastrong coupling

    SciTech Connect

    Zhang Yuanwei; Institute of Theoretical Physics, Shanxi University, Taiyuan 030006; Chen Gang

    2011-06-15

    We present a generalized variational method to analytically obtain the ground-state properties of the Jaynes-Cummings model with the ultrastrong coupling. An explicit expression for the ground-state energy, which agrees well with the numerical simulation in a wide range of the experimental parameters, is given. In particular, the introduced method can successfully solve this Jaynes-Cummings model with the positive detuning (the atomic resonant level is larger than the photon frequency), which cannot be treated in the adiabatical approximation and the generalized rotating-wave approximation. Finally, we also demonstrate analytically how to control the mean photon number by means of the current experimentalmore » parameters including the photon frequency, the coupling strength, and especially the atomic resonant level.« less

  15. Realization of ground-state artificial skyrmion lattices at room temperature

    DOE PAGES

    Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew L.; ...

    2015-10-08

    We report that the topological nature of magnetic skyrmions leads to extraordinary properties that provide new insights into fundamental problems of magnetism and exciting potentials for novel magnetic technologies. Prerequisite are systems exhibiting skyrmion lattices at ambient conditions, which have been elusive so far. We demonstrate the realization of artificial Bloch skyrmion lattices over extended areas in their ground state at room temperature by patterning asymmetric magnetic nanodots with controlled circularity on an underlayer with perpendicular magnetic anisotropy (PMA). Polarity is controlled by a tailored magnetic field sequence and demonstrated in magnetometry measurements. The vortex structure is imprinted from themore » dots into the interfacial region of the underlayer via suppression of the PMA by a critical ion-irradiation step. In conclusion, the imprinted skyrmion lattices are identified directly with polarized neutron reflectometry and confirmed by magnetoresistance measurements. Our results demonstrate an exciting platform to explore room-temperature ground-state skyrmion lattices.« less

  16. Ground state of a Heisenberg chain with next-nearest-neighbor bond alternation

    NASA Astrophysics Data System (ADS)

    Capriotti, Luca; Becca, Federico; Sorella, Sandro; Parola, Alberto

    2003-05-01

    We investigate the ground-state properties of the spin-half J1-J2 Heisenberg chain with a next-nearest-neighbor spin-Peierls dimerization using conformal field theory and Lanczos exact diagonalizations. In agreement with the results of a recent bosonization analysis by Sarkar and Sen [Phys. Rev. B 65, 172408 (2002)], we find that for small frustration (J2/J1) the system is in a Luttinger spin-fluid phase, with gapless excitations, and a finite spin-wave velocity. In the regime of strong frustration the ground state is spontaneously dimerized and the bond alternation reduces the triplet gap, leading to a slight enhancement of the critical point separating the Luttinger phase from the gapped one. An accurate determination of the phase boundary is obtained numerically from the study of the excitation spectrum.

  17. State and territorial use of ground-water strategy grant funds (Section 106 Clean Water Act). Technical report (Final)

    SciTech Connect

    Not Available

    1987-05-01

    This document reports on the activities of States in FY 85 and 86 in developing and implementing State ground-water protection strategies using Clean Water Act Section 106 funds. Every State and all but one territory has participated in the program. Strategies have included emphasis on the need to consolidate State and local agency efforts, and to provide clear policy direction, greater public awareness and education concerning ground-water protection.

  18. The properties of 4'-N,N-dimethylaminoflavonol in the ground and excited states

    NASA Astrophysics Data System (ADS)

    Moroz, V. V.; Chalyi, A. G.; Roshal, A. D.

    2008-09-01

    The mechanism of protonation of 4-N,N-dimethylaminoflavonol and the structure of its protolytic forms in the ground and excited states were studied by electron absorption and fluorescence (steady-state and time-resolved) spectroscopy and with the use of the RM1 quantum-chemical method. A comparison of equilibrium constants and the theoretical enthalpies of formation showed that excitation should be accompanied by the inversion of the basicity of the electron acceptor groups of this compound and, as a consequence, changes in the structure of its monocationic form. An analysis of the spectral parameters of the protolytic 4-N,N-dimethylaminoflavonol forms, however, showed that their structure and the sequence of protonation in the excited state were the same as in the ground state. Changes in the structure of the monocation in the excited state were not observed because of the fast radiationless deactivation of this form and the occurrence of excited state intramolecular proton transfer in aprotic solvents.

  19. Distribution of eigenfrequencies for oscillations of the ground state in the Thomas-Fermi limit

    SciTech Connect

    Kevrekidis, P. G.; Pelinovsky, D. E.

    In this work, we present a systematic derivation of the distribution of eigenfrequencies for oscillations of the ground state of a repulsive Bose-Einstein condensate in the semi-classical (Thomas-Fermi) limit. Our calculations are performed in one, two, and three-dimensional settings. Connections with the earlier work of Stringari, with numerical computations, and with theoretical expectations for invariant frequencies based on symmetry principles are also given.

  20. Ground State of the Universe and the Cosmological Constant. A Nonperturbative Analysis.

    PubMed

    Husain, Viqar; Qureshi, Babar

    2016-02-12

    The physical Hamiltonian of a gravity-matter system depends on the choice of time, with the vacuum naturally identified as its ground state. We study the expanding Universe with scalar field in the volume time gauge. We show that the vacuum energy density computed from the resulting Hamiltonian is a nonlinear function of the cosmological constant and time. This result provides a new perspective on the relation between time, the cosmological constant, and vacuum energy.

  1. On the ground state energy of the δ-function Bose gas

    NASA Astrophysics Data System (ADS)

    Tracy, Craig A.; Widom, Harold

    2016-07-01

    The weak coupling asymptotics, to order {(c/ρ )}2, of the ground state energy of the delta-function Bose gas is derived. Here 2c≥slant 0 is the delta-function potential amplitude and ρ the density of the gas in the thermodynamic limit. The analysis uses the electrostatic interpretation of the Lieb-Liniger integral equation. Dedicated to Professor Tony Guttmann on the occasion of his 70th birthday.

  2. Penn State University ground software support for X-ray missions.

    NASA Astrophysics Data System (ADS)

    Townsley, L. K.; Nousek, J. A.; Corbet, R. H. D.

    1995-03-01

    The X-ray group at Penn State is charged with two software development efforts in support of X-ray satellite missions. As part of the ACIS instrument team for AXAF, the authors are developing part of the ground software to support the instrument's calibration. They are also designing a translation program for Ginga data, to change it from the non-standard FRF format, which closely parallels the original telemetry format, to FITS.

  3. Impulsive effects of phase-locked pulse pairs on nuclear motion in the electronic ground state

    NASA Astrophysics Data System (ADS)

    Cina, J. A.; Smith, T. J.

    1993-06-01

    The nonlinear effects of ultrashort phase-locked electronically resonant pulse pairs on the ground state nuclear motion are investigated theoretically. The pulse-pair propagator, momentum impulse, and displacement are determined in the weak field limit for pulse pairs separated by a time delay short on a nuclear time scale. Possible application to large amplitude vibrational excitation of the 104 cm-1 mode of α-perylene is considered and comparisons are made to other Raman excitation methods.

  4. Dynamics Near the Ground State for the Energy Critical Nonlinear Heat Equation in Large Dimensions

    NASA Astrophysics Data System (ADS)

    Collot, Charles; Merle, Frank; Raphaël, Pierre

    2017-05-01

    We consider the energy critical semilinear heat equation partial_tu = Δ u + |u|^{4/d-2}u, \\quad x \\in {R}^d and give a complete classification of the flow near the ground state solitary wave Q(x) = 1/(1+{|x|^2{d(d-2)})^{d-2/2}} in dimension {d ≥ 7}, in the energy critical topology and without radial symmetry assumption. Given an initial data {Q + ɛ_0} with {|\

  5. Ground beetles (Coleoptera, Carabidae) of the Hanford Nuclear Site in south-central Washington State

    PubMed Central

    Looney, Chris; Zack, Richard S.; LaBonte, James R.

    2014-01-01

    Abstract In this paper we report on ground beetles (Coleoptera: Carabidae) collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site), which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte), and Stenolophus lineola (Fabricius). Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity. PMID:24715791

  6. Capping spheres with scarry crystals: Organizing principles of multi-dislocation, ground-state patterns

    NASA Astrophysics Data System (ADS)

    Azadi, Amir; Grason, Gregory M.

    2014-03-01

    Predicting the ground state ordering of curved crystals remains an unsolved, century-old challenge, beginning with the classic Thomson problem to more recent studies of particle-coated droplets. We study the structural features and underlying principles of multi-dislocation ground states of a crystalline cap adhered to a spherical substrate. In the continuum limit, vanishing lattice spacing, a --> 0 , dislocations proliferate and we show that ground states approach a characteristic sequence of patterns of n-fold radial grain boundary ``scars,'' extending from the boundary and terminating in the bulk. A combination of numerical and asymptotic analysis reveals that energetic hierarchy gives rise to a structural hierarchy, whereby the number of dislocation and scars diverge as a --> 0 while the scar length and number of dislocations per scar become remarkably independent of lattice spacing. We show the that structural hierarchy remains intact when n-fold symmetry becomes unstable to polydispersed forked-scar morphologies. We expect this analysis to resolve previously open questions about the optimal symmetries of dislocation patterns in Thomson-like problems, both with and without excess 5-fold defects.

  7. Theoretical and Experimental Photoelectron Spectroscopy Characterization of the Ground State of Thymine Cation.

    PubMed

    Majdi, Youssef; Hochlaf, Majdi; Pan, Yi; Lau, Kai-Chung; Poisson, Lionel; Garcia, Gustavo A; Nahon, Laurent; Al-Mogren, Muneerah Mogren; Schwell, Martin

    2015-06-11

    We report on the vibronic structure of the ground state X̃(2)A″ of the thymine cation, which has been measured using a threshold photoelectron photoion coincidence technique and vacuum ultraviolet synchrotron radiation. The threshold photoelectron spectrum, recorded over ∼0.7 eV above the ionization potential (i.e., covering the whole ground state of the cation) shows rich vibrational structure that has been assigned with the help of calculated anharmonic modes of the ground electronic cation state at the PBE0/aug-cc-pVDZ level of theory. The adiabatic ionization energy has been experimentally determined as AIE = 8.913 ± 0.005 eV, in very good agreement with previous high resolution results. The corresponding theoretical value of AIE = 8.917 eV has been calculated in this work with the explicitly correlated method/basis set (R)CCSD(T)-F12/cc-pVTZ-F12, which validates the theoretical approach and benchmarks its accuracy for future studies of medium-sized biological molecules.

  8. High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb

    SciTech Connect

    Sirohi, Anshu; Saha, Preetha; Gayen, Sirshendu

    CuFeSb is isostructural to the ferro-pnictide and chalcogenide superconductors and it is one of the few materials in the family that are known to stabilize in a ferromagnetic ground state. Majority of the members of this family are either superconductors or antiferromagnets. Therefore, CuFeSb may be used as an ideal source of spin polarized current in spin-transport devices involving pnictide and the chalcogenide superconductors. However, for that the Fermi surface of CuFeSb needs to be sufficiently spin polarized. In this paper we report direct measurement of transport spin polarization in CuFeSb by spin-resolved Andreev reflection spectroscopy. From a number ofmore » measurements using multiple superconducting tips we found that the intrinsic transport spin polarization in CuFeSb is high (∼47%). In order to understand the unique ground state of CuFeSb and the origin of large spin polarization at the Fermi level, we have evaluated the spin-polarized band structure of CuFeSb through first principles calculations. Apart from supporting the observed 47% transport spin polarization, such calculations also indicate that the Sb-Fe-Sb angles and the height of Sb from the Fe plane are strikingly different for CuFeSb than the equivalent parameters in other members of the same family thereby explaining the origin of the unique ground state of CuFeSb.« less

  9. Emergent Ising degrees of freedom above a double-stripe magnetic ground state

    NASA Astrophysics Data System (ADS)

    Zhang, Guanghua; Flint, Rebecca

    2017-12-01

    Double-stripe magnetism [Q =(π /2 ,π /2 )] has been proposed as the magnetic ground state for both the iron-telluride and BaTi2Sb2O families of superconductors. Double-stripe order is captured within a J1-J2-J3 Heisenberg model in the regime J3≫J2≫J1 . Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π ,π ) . Because the ground state is fourfold degenerate, modulo rotations in spin space, only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.

  10. Identification of ground-state spin ordering in antiferromagnetic transition metal oxides using the Ising model and a genetic algorithm

    PubMed Central

    Lee, Kyuhyun; Youn, Yong; Han, Seungwu

    2017-01-01

    Abstract We identify ground-state collinear spin ordering in various antiferromagnetic transition metal oxides by constructing the Ising model from first-principles results and applying a genetic algorithm to find its minimum energy state. The present method can correctly reproduce the ground state of well-known antiferromagnetic oxides such as NiO, Fe2O3, Cr2O3 and MnO2. Furthermore, we identify the ground-state spin ordering in more complicated materials such as Mn3O4 and CoCr2O4. PMID:28458746

  11. Evidence of tetragonal distortion as the origin of the ferromagnetic ground state in γ -Fe nanoparticles

    NASA Astrophysics Data System (ADS)

    Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T. A. L.; Lippertz, G.; Trekels, M.; Menéndez, E.; Kremer, F.; Wahl, U.; Costa, A. R. G.; Correia, J. G.; Banerjee, D.; Gunnlaugsson, H. P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M. J.; Hadermann, J.; Araújo, J. P.; Temst, K.; Vantomme, A.; Pereira, L. M. C.

    2017-11-01

    γ -Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of γ -Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mössbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a =3.76 (2 )Å and c =3.50 (2 )Å , and a magnetic moment of 2.45(5) μB per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured γ -Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of γ -Fe taking tetragonal distortion into account.

  12. Optimal control of the population dynamics of the ground vibrational state of a polyatomic molecule

    NASA Astrophysics Data System (ADS)

    de Clercq, Ludwig E.; Botha, Lourens R.; Rohwer, Erich G.; Uys, Hermann; Du Plessis, Anton

    2011-03-01

    Simulating coherent control with femtosecond pulses on a polyatomic molecule with anharmonic splitting was demonstrated. The simulation mimicked pulse shaping of a Spatial Light Modulator (SLM) and the interaction was described with the Von Neumann equation. A transform limited pulse with a fluence of 600 J/m2 produced 18% of the population in an arbitrarily chosen upper vibrational state, n =2. Phase only and amplitude only shaped pulse produced optimum values of 60% and 40% respectively, of the population in the vibrational state, n=2, after interaction with the ultra short pulse. The combination of phase and amplitude shaping produced the best results, 80% of the population was in the targeted vibrational state, n=2, after interaction. These simulations were carried out with all the population initially in the ground vibrational level. It was found that even at room temperatures (300 Kelvin) that the population in the selected level is comparable with the case where all population is initially in the ground vibrational state. With a 10% noise added to the amplitude and phase masks, selective excitation of the targeted vibrational state is still possible.

  13. Quantifying confidence in density functional theory predictions of magnetic ground states

    NASA Astrophysics Data System (ADS)

    Houchins, Gregory; Viswanathan, Venkatasubramanian

    2017-10-01

    Density functional theory (DFT) simulations, at the generalized gradient approximation (GGA) level, are being routinely used for material discovery based on high-throughput descriptor-based searches. The success of descriptor-based material design relies on eliminating bad candidates and keeping good candidates for further investigation. While DFT has been widely successfully for the former, oftentimes good candidates are lost due to the uncertainty associated with the DFT-predicted material properties. Uncertainty associated with DFT predictions has gained prominence and has led to the development of exchange correlation functionals that have built-in error estimation capability. In this work, we demonstrate the use of built-in error estimation capabilities within the BEEF-vdW exchange correlation functional for quantifying the uncertainty associated with the magnetic ground state of solids. We demonstrate this approach by calculating the uncertainty estimate for the energy difference between the different magnetic states of solids and compare them against a range of GGA exchange correlation functionals as is done in many first-principles calculations of materials. We show that this estimate reasonably bounds the range of values obtained with the different GGA functionals. The estimate is determined as a postprocessing step and thus provides a computationally robust and systematic approach to estimating uncertainty associated with predictions of magnetic ground states. We define a confidence value (c-value) that incorporates all calculated magnetic states in order to quantify the concurrence of the prediction at the GGA level and argue that predictions of magnetic ground states from GGA level DFT is incomplete without an accompanying c-value. We demonstrate the utility of this method using a case study of Li-ion and Na-ion cathode materials and the c-value metric correctly identifies that GGA-level DFT will have low predictability for NaFePO4F . Further, there

  14. Ab initio optimization principle for the ground states of translationally invariant strongly correlated quantum lattice models.

    PubMed

    Ran, Shi-Ju

    2016-05-01

    In this work, a simple and fundamental numeric scheme dubbed as ab initio optimization principle (AOP) is proposed for the ground states of translational invariant strongly correlated quantum lattice models. The idea is to transform a nondeterministic-polynomial-hard ground-state simulation with infinite degrees of freedom into a single optimization problem of a local function with finite number of physical and ancillary degrees of freedom. This work contributes mainly in the following aspects: (1) AOP provides a simple and efficient scheme to simulate the ground state by solving a local optimization problem. Its solution contains two kinds of boundary states, one of which play the role of the entanglement bath that mimics the interactions between a supercell and the infinite environment, and the other gives the ground state in a tensor network (TN) form. (2) In the sense of TN, a novel decomposition named as tensor ring decomposition (TRD) is proposed to implement AOP. Instead of following the contraction-truncation scheme used by many existing TN-based algorithms, TRD solves the contraction of a uniform TN in an opposite way by encoding the contraction in a set of self-consistent equations that automatically reconstruct the whole TN, making the simulation simple and unified; (3) AOP inherits and develops the ideas of different well-established methods, including the density matrix renormalization group (DMRG), infinite time-evolving block decimation (iTEBD), network contractor dynamics, density matrix embedding theory, etc., providing a unified perspective that is previously missing in this fields. (4) AOP as well as TRD give novel implications to existing TN-based algorithms: A modified iTEBD is suggested and the two-dimensional (2D) AOP is argued to be an intrinsic 2D extension of DMRG that is based on infinite projected entangled pair state. This paper is focused on one-dimensional quantum models to present AOP. The benchmark is given on a transverse Ising

  15. 22 CFR 9b.6 - Grounds for denial, revocation, or non-renewal of Department of State press building passes.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... of Department of State press building passes. 9b.6 Section 9b.6 Foreign Relations DEPARTMENT OF STATE GENERAL REGULATIONS GOVERNING DEPARTMENT OF STATE PRESS BUILDING PASSES § 9b.6 Grounds for denial, revocation, or non-renewal of Department of State press building passes. In consultation with the Bureau of...

  16. Spin-Orbit Coupling Controlled J = 3 / 2 Electronic Ground State in 5 d 3 Oxides

    DOE PAGES

    Taylor, A. E.; Calder, S.; Morrow, R.; ...

    2017-05-16

    Spin-orbit entanglement in 5d-based transition metal oxides (TMOs) has been identified as a route to a host of unconventional physical states including quantum spin liquids, Weyl semimetals, and axion insulators. Yet despite intense interest, no clear rules have emerged for the treatment of spin-orbit coupling (SOC) in 5d TMOs outside of idealised LS or jj coupling paradigms. This is exemplified in 5d 3 oxides in which an orbitally-quenched singlet ground state is anticipated, yet SOC is manifest in the observed magnetic properties. Here we solve this long-outstanding puzzle by revealing that the electronic ground state of Os5+ 5d 3 ionsmore » is an unquenched J = 3/2 state. Resonant inelastic x-ray scattering (RIXS) in Ca3LiOsO6 and Ba 2YOsO 6 exposes a SOC-controlled splitting of the t 2g manifold. The results are successfully described using an intermediate-coupling framework in which oxygen hybridisation promotes the breakdown of the orbital singlet. This framework opens the door to realistic treatment of SOC across a range of 5d TMOs beyond the 5d 3 case.« less

  17. Ferrotoroidic ground state in a heterometallic {CrIIIDyIII6} complex displaying slow magnetic relaxation.

    PubMed

    Vignesh, Kuduva R; Soncini, Alessandro; Langley, Stuart K; Wernsdorfer, Wolfgang; Murray, Keith S; Rajaraman, Gopalan

    2017-10-18

    Toroidal quantum states are most promising for building quantum computing and information storage devices, as they are insensitive to homogeneous magnetic fields, but interact with charge and spin currents, allowing this moment to be manipulated purely by electrical means. Coupling molecular toroids into larger toroidal moments via ferrotoroidic interactions can be pivotal not only to enhance ground state toroidicity, but also to develop materials displaying ferrotoroidic ordered phases, which sustain linear magneto-electric coupling and multiferroic behavior. However, engineering ferrotoroidic coupling is known to be a challenging task. Here we have isolated a {Cr III Dy III 6 } complex that exhibits the much sought-after ferrotoroidic ground state with an enhanced toroidal moment, solely arising from intramolecular dipolar interactions. Moreover, a theoretical analysis of the observed sub-Kelvin zero-field hysteretic spin dynamics of {Cr III Dy III 6 } reveals the pivotal role played by ferrotoroidic states in slowing down the magnetic relaxation, in spite of large calculated single-ion quantum tunneling rates.

  18. Spin-Orbit Coupling Controlled J = 3 / 2 Electronic Ground State in 5 d 3 Oxides

    SciTech Connect

    Taylor, A. E.; Calder, S.; Morrow, R.

    Spin-orbit entanglement in 5d-based transition metal oxides (TMOs) has been identified as a route to a host of unconventional physical states including quantum spin liquids, Weyl semimetals, and axion insulators. Yet despite intense interest, no clear rules have emerged for the treatment of spin-orbit coupling (SOC) in 5d TMOs outside of idealised LS or jj coupling paradigms. This is exemplified in 5d 3 oxides in which an orbitally-quenched singlet ground state is anticipated, yet SOC is manifest in the observed magnetic properties. Here we solve this long-outstanding puzzle by revealing that the electronic ground state of Os5+ 5d 3 ionsmore » is an unquenched J = 3/2 state. Resonant inelastic x-ray scattering (RIXS) in Ca3LiOsO6 and Ba 2YOsO 6 exposes a SOC-controlled splitting of the t 2g manifold. The results are successfully described using an intermediate-coupling framework in which oxygen hybridisation promotes the breakdown of the orbital singlet. This framework opens the door to realistic treatment of SOC across a range of 5d TMOs beyond the 5d 3 case.« less

  19. The water situation in the United States with special reference to ground water

    USGS Publications Warehouse

    McGuinness, Charles Lee

    1951-01-01

    This report constitutes appendixes B and C of a report prepared in April 1950 by the Geological Survey at the request of the President’s Water Resources Policy Commission. The full report was entitled "Water facts in relation to a national water-resources policy.” The brief text, entitled "Water in relation to the national economy,” and appendix A, entitled "A  summary of the water situation in the United States, with special reference to ground water,” were drafted by A. M. Piper of the Geological Survey and are to be published separately, in slightly modified form, under his name.This report discusses the occurrence of ground water in nature and its relation to surface water and to the national water picture as a whole, and it lists numerous existing water problems and discusses their solution.

  20. Arsenic in ground-water under oxidizing conditions, south-west United States

    USGS Publications Warehouse

    Robertson, F.N.

    1989-01-01

    Concentrations of dissolved arsenic in ground-water in alluvial basins of Arizona commonly exceed 50 ??g L-1 and reach values as large as 1,300 ??g L-1. Arsenic speciation analyses show that arsenic occurs in the fully oxidized state of plus 5 (As+5), most likely in the form of HAsO4???2, under existing oxidizing and pH conditions. Arsenic in source areas presumably is oxidized to soluble As before transport into the basin or, if after transport, before burial. Probable sources of arsenic are the sulphide and arsenide deposits in the mineralized areas of the mountains surrounding the basins. Arsenic content of alluvial material ranged from 2 to 88 ppm. Occurrence and removal of arsenic in ground-water are related to the pH and the redox condition of the ground-water, the oxidation state of arsenic, and sorption or exchange. Within basins, dissolved arsenic correlates (P<0.01) with dissolved molybdenum, selenium, vanadium, and fluoride and with pH, suggesting sorption of negative ions. The sorption hypothesis is further supported by enrichment of teachable arsenic in the basin-fill sediments by about tenfold relative to the crustal abundance and by as much as a thousandfold relative to concentrations found in ground-water. Silicate hydrolysis reactions, as defined within the alluvial basins, under closed conditions cause increases in pH basinward and would promote desorption. Within the region, large concentrations of arsenic are commonly associated with the central parts of basins whose chemistries evolve under closed conditions. Arsenic does not correlate with dissolved iron (r = 0.09) but may be partly controlled by iron in the solid phase. High solid-phase arsenic contents were found in red clay beds. Large concentrations of arsenic also were found in water associated with red clay beds. Basins that contain the larger concentrations are bounded primarily by basalt and andesite, suggesting that the iron content as well as the arsenic content of the basin fill may

  1. Using narrowband excitation to confirm that the S∗ state in carotenoids is not a vibrationally-excited ground state species

    NASA Astrophysics Data System (ADS)

    Jailaubekov, Askat E.; Song, Sang-Hun; Vengris, Mikas; Cogdell, Richard J.; Larsen, Delmar S.

    2010-02-01

    The hypothesis that S∗ is a vibrationally-excited ground-state population is tested and discarded for two carotenoid samples: β-carotene in solution and rhodopin glucoside embedded in the light harvesting 2 protein from Rhodopseudomonas acidophila. By demonstrating that the transient absorption signals measured in both systems that are induced by broadband (1000 cm -1) and narrowband (50 cm -1) excitation pulses are near identical and hence bandwidth independent, the impulsive stimulated Raman scattering mechanism proposed as the primary source for S∗ generation is discarded. To support this conclusion, previously published multi-pulse pump-dump-probe signals [17] are revisited to discard secondary mechanisms for S∗ formation.

  2. Structure, strain, and control of ground state property in LaTiO3/LaAlO3 superlattice

    NASA Astrophysics Data System (ADS)

    Lee, Alex Taekyung; Han, Myung Joon

    2014-03-01

    We examined the ground state property of LaTiO3/LaAlO3 superlattice through density functional band calculations. Total energy calculations, including the structural distortions, U dependence, and the exchange correlation functional dependence, clearly showed that the spin and orbital ground state can be controlled systematically by the epitaxial strain. In the wide range of strain, the ferromagnetic-spin and antiferro-orbital order are stabilized, which is notably different from the previously reported ground state in the titanate systems. By applying +2.8% of tensile strains, we showed that the antiferromagnetic-spin and ferro-orbital ordered phase become stabilized.

  3. The ground-state energy of the ± J sping glass. A comparison of various biologically motivated algorithms

    NASA Astrophysics Data System (ADS)

    Gropengiesser, Uwe

    1995-06-01

    We compare various evlutionary strategies to determine the ground-state energy of the ± J spin glass. We show that the choice of different evolution laws is less important than a suitable treatment of the "free spins" of the system At least one combination of these strategies does not give the correct results, but the ground states of the other different strategies coincide. Therefore we are able to extrapolate the infinit-size ground-state energy for the square lattice to -1.401±0.0015 and for the simple cubic lattice to -1.786±0.004.

  4. Ground-state and pairing-vibrational bands with equal quadrupole collectivity in 124Xe

    NASA Astrophysics Data System (ADS)

    Radich, A. J.; Garrett, P. E.; Allmond, J. M.; Andreoiu, C.; Ball, G. C.; Bianco, L.; Bildstein, V.; Chagnon-Lessard, S.; Cross, D. S.; Demand, G. A.; Diaz Varela, A.; Dunlop, R.; Finlay, P.; Garnsworthy, A. B.; Hackman, G.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A. T.; Leach, K. G.; Michetti-Wilson, J.; Orce, J. N.; Rajabali, M. M.; Rand, E. T.; Starosta, K.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wang, Z. M.; Wood, J. L.; Wong, J.; Williams, S. J.; Yates, S. W.

    2015-04-01

    The nuclear structure of 124Xe has been investigated via measurements of the β+/EC decay of 124Cs with the 8 π γ -ray spectrometer at the TRIUMF-ISAC facility. The data collected have enabled branching ratio measurements of weak, low-energy transitions from highly excited states, and the 2+→0+ in-band transitions have been observed. Combining these results with those from a previous Coulomb excitation study, B (E 2 ;23+→02+) =78 (13 ) W.u. and B (E 2 ;24+→03+) =53 (12 ) W.u. were determined. The 03+ state, in particular, is interpreted as the main fragment of the proton-pairing vibrational band identified in a previous 122Te (3He,n )124Xe measurement, and has quadrupole collectivity equal to, within uncertainty, that of the ground-state band.

  5. A grounded theory of young tennis players use of music to manipulate emotional state.

    PubMed

    Bishop, Daniel T; Karageorghis, Costas I; Loizou, Georgios

    2007-10-01

    The main objectives of this study were (a) to elucidate young tennis players' use of music to manipulate emotional states, and (b) to present a model grounded in present data to illustrate this phenomenon and to stimulate further research. Anecdotal evidence suggests that music listening is used regularly by elite athletes as a preperformance strategy, but only limited empirical evidence corroborates such use. Young tennis players (N = 14) were selected purposively for interview and diary data collection. Results indicated that participants consciously selected music to elicit various emotional states; frequently reported consequences of music listening included improved mood, increased arousal, and visual and auditory imagery. The choice of music tracks and the impact of music listening were mediated by a number of factors, including extramusical associations, inspirational lyrics, music properties, and desired emotional state. Implications for the future investigation of preperformance music are discussed.

  6. Ground-water recharge in the arid and semiarid southwestern United States

    USGS Publications Warehouse

    Stonestrom, David A.; Constantz, Jim; Ferré, Ty P.A.; Leake, Stanley A.

    2007-01-01

    Ground-water recharge in the arid and semiarid southwestern United States results from the complex interplay of climate, geology, and vegetation across widely ranging spatial and temporal scales. Present-day recharge tends to be narrowly focused in time and space. Widespread water-table declines accompanied agricultural development during the twentieth century, demonstrating that sustainable ground-water supplies are not guaranteed when part of the extracted resource represents paleorecharge. Climatic controls on ground-water recharge range from seasonal cycles of summer monsoonal and winter frontal storms to multimillennial cycles of glacial and interglacial periods. Precipitation patterns reflect global-scale interactions among the oceans, atmosphere, and continents. Large-scale climatic influences associated with El Niño and Pacific Decadal Oscillations strongly, but irregularly, control weather in the study area, so that year-to-year variations in precipitation and ground-water recharge are large and difficult to predict. Proxy data indicate geologically recent periods of naturally occurring multidecadal droughts unlike any in the modern instrumental record. Any anthropogenically induced climate change will likely reduce ground-water recharge through diminished snowpack at higher elevations. Future changes in El Niño and monsoonal patterns, both crucial to precipitation in the study area, are highly uncertain in current models. Current land-use modifications influence ground-water recharge through vegetation, irrigation, and impermeable area. High mountain ranges bounding the study area—the San Bernadino Mountains and Sierra Nevada to the west, and the Wasatch and southern Colorado Rocky Mountains to the east—provide external geologic controls on ground-water recharge. Internal geologic controls stem from tectonic processes that led to numerous, variably connected alluvial-filled basins, exposure of extensive Paleozoic aquifers in mountainous recharge

  7. Accurate ab initio calculations which demonstrate a 3 Pi u ground state for Al2

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Langhoff, Stephen R.; Taylor, Peter R.; Walch, Stephen P.

    1986-01-01

    The spectroscopic parameters and separations between the three low-lying X 3 Pi u, A 3 Sigma g -, and a 1 Sigma g + states of Al2 are studied as a function of both the one-particle and n-particle basis set. Approximate correlation treatments are calibrated against full Cl calculations correlating the six valence electrons in a double-zeta plus two d-function basis set. Since the CASSCF/MRCI 3 Pi u to 3 Sigma g - separation is in excellent agreement wtih the FCI value, the MRCI calculations were carried out in an extended (20s13p6d4f)/(6s5p3d2f) gaussian basis. Including a small correction for relativistic effects, the best estimate is that 3 Sigma g - state lies 174/cm above the 3 Pi u ground state. The 1 Sigma g + state lies at least 2000/cm higher in energy. At the CPF level, inclusion of 2s and 2p correlation has little effect on D sub e, reduces T sub e by only 26/cm, and shortens the bond lengths by about 0.02 a sub o. Further strong support for a 3 Pi u ground state comes from the experimental absorption spectra, since both observed transitions can be convincingly assigned as 3 Pi u yields 3 Pi g. The (2) 3 Pi g state is observed to be sensitive to the level of correlation treatment, and to have its minimum shifted to shorter rho values, such that the strongest experimental absorption peak probably corresponds to the 0 yields 2 transition.

  8. Stat3 phosphorylation is required for embryonic stem cells ground state maintenance in 2i culture media.

    PubMed

    Wang, Dan; Sang, Hui; Zhang, Kaiyue; Nie, Yan; Zhao, Shuang; Zhang, Yan; He, Ningning; Wang, Yuebing; Xu, Yang; Xie, Xiaoyan; Li, Zongjin; Liu, Na

    2017-05-09

    Embryonic stem cells (ES cells) can be maintained its undifferentiated state with feeder cells or LIF, which can activate Jak/Stat3 pathway. Recently, it has been reported a new culture condition comprising serum-free medium with ERK and GSK3β inhibitors (2i) could drive ES cells into a state of pluripotency more like inner cell mass (ICM) in mouse blastocysts called ground state. However, although 2i could sustain ES cells self-renewal, LIF is routinely added. The roles of Stat3 activation are still unclear now. Here we investigated whether Jak/Stat3 might also contribute to the induction of ground state pluripotency. We introduced a lentiviral construct with 7-repeat Stat3-binding sequence to drive Renilla luciferase into ES cells, which can be used as a reporter to detect Stat3 activation by noninvasive bioluminescence imaging. Using this ES cells, we investigated the role of Stat3 activation in ground state maintenance. The results showed that Stat3 could be activated by 2i. Stattic, a chemical inhibitor of Stat3 phosphorylation, could effectively inhibit Stat3 activation in ES cells. When Stat3 activation was suppressed, ground state related genes were down regulated, and ES cells could not be maintained the ground state pluripotency even in 2i medium. All of these results indicate Stat3 activation is required in ground state maintenance.

  9. Ground beetles (Coleoptera, Carabidae) of the Hanford Nuclear Site in south-central Washington State.

    PubMed

    Looney, Chris; Zack, Richard S; Labonte, James R

    2014-01-01

    Carabidae) collected from the Hanford Nuclear Reservation and Hanford National Monument (together the Hanford Site), which is located in south-central Washington State. The Site is a relatively undisturbed relict of the shrub-steppe habitat present throughout much of the western Columbia Basin before the westward expansion of the United States. Species, localities, months of capture, and capture method are reported for field work conducted between 1994 and 2002. Most species were collected using pitfall traps, although other capture methods were employed. Trapping results indicate the Hanford Site supports a diverse ground beetle community, with over 90% of the 92 species captured native to North America. Four species collected during the study period are newly recorded for Washington State: Bembidion diligens Casey, Calosoma obsoletum Say, Pseudaptinus rufulus (LeConte), and Stenolophus lineola (Fabricius). Based on these data, the Site maintains a diverse ground beetle fauna and, due to its size and diversity of habitats, is an important repository of shrub-steppe biodiversity.

  10. Structure and magnetic ground states of spin-orbit coupled compound alpha-RuCl3

    NASA Astrophysics Data System (ADS)

    Banerjee, Arnab; Bridges, Craig; Yan, Jiaqiang; Mandrus, David; Stone, Matthew; Aczel, Adam; Li, Ling; Yiu, Yuen; Lumsden, Mark; Chakoumakos, Bryan; Tennant, Alan; Nagler, Stephen

    2015-03-01

    The layered material alpha-RuCl3 is composed of stacks of weakly coupled honeycomb lattices of octahedrally coordinated Ru3 + ions. The Ru ion ground state has 5 d electrons in the low spin state, with spin-orbit coupling very strong compared to other terms in the single ion Hamiltonian. The material is therefore an excellent candidate for investigating possible Heisenberg-Kitaev physics. In addition, this compound is very amenable to investigation by neutron scattering to explore the magnetic ground state and excitations in detail. In this talk, we discuss the synthesis of phase-pure alpha-RuCl3 and the characterization of the magnetization, susceptibility, and heat-capacity. We also report neutron diffraction on both powder and single crystal alpha-RuCl3, identifying the low temperature magnetic order observed in the material. The results, when compared to theoretical calculations, shed light on the relative importance of Kitaev and Heisenberg terms in the Hamiltonian. The research is supported by the DOE BES Scientific User Facility Division.

  11. Effect of site disorder on the ground state of a frustrated spin dimer quantum magnet

    NASA Astrophysics Data System (ADS)

    Hristov, Alexander; Shapiro, Maxwell; Lee, Minseong; Rodenbach, Linsey; Choi, Eun Sang; Park, Ju-Hyun; Munsie, Tim; Luke, Graeme; Fisher, Ian

    Ba3Mn2O8 is a geometrically frustrated spin dimer quantum magnet. Pairs of Mn 5+ (S = 1) ions are strongly coupled via antiferromagnetic exchange to yield a singlet ground state, with excited triplet and quintuplet states. Isovalent substitution of V5+ (S = 0) for Mn breaks dimers, resulting in unpaired S = 1 spins, the ground state of which is investigated here for compositions spanning the range 0 <= x <= 1 of Ba3(Mn1-xVx)2O8. From a theoretical perspective, for dimers occupying an unfrustrated bipartite lattice, such site disorder is anticipated to yield long range magnetism for unpaired Mn spins both in the dilute limit where x is small, a phenomena known as order-by-disorder, and in the proximity of x = 1 / 2 where the system is maximally disordered and close to a percolation threshold. In this frustrated system, however, our experiments find evidence of spin freezing for six compositions 0 . 05 <= x <= 0 . 85 . In this regime, we find entropy removed at an energy scale independent of the freezing temperature. We discuss the possibility of a spin-glass to random singlet transition for critical compositions in the two dilute limits x -> 0 and x -> 1 . NSF DMR-Award 1205165.

  12. Magnetic ground state and electronic structure of CeRu(2)Al(10).

    PubMed

    Goraus, Jerzy; Ślebarski, Andrzej

    2012-03-07

    We present a combined theoretical and experimental study of the electronic structure for CeRu(2)Al(10) based on ab initio band structure calculations and x-ray photoemission spectroscopy (XPS) data. Our calculations were performed for the base unit cell and for the hypothetical unit cell which enables antiferromagnetic ordering. The stability of the magnetic phase was investigated within fixed spin moment calculations. When additional 4f correlations are not included in the LSDA C U approach, CeRu(2)Al(10) exhibits an unstable magnetic configuration with the difference in total energy per unit cell between the weakly magnetic state and the non-magnetic one of the order ~0.3 meV. We found that Coulomb correlations among 4f electrons, when they are included in the LSDA C U approach, stabilize the magnetic structure. In the weakly correlated system (small U) an antiferromagnetic (AFM) ground state with the lowest total energy is preferred. The situation is, however, the opposite when the 4f correlations are strong. In this case the ferromagnetic (FM) ground state is preferred. By comparing our calculations with the experimental data we conclude that the 4f correlations in CeRu(2)Al(10) are weak. We also carried out a structural relaxation of atomic positions within the Cmcm unit cell and we found that the Al atoms exhibit noticeable displacement from their positions known from x-ray diffraction (XRD) analysis.

  13. Origin and Manipulation of Stable Vortex Ground States in Permalloy Nanotubes.

    PubMed

    Zimmermann, Michael; Meier, Thomas Norbert Gerhard; Dirnberger, Florian; Kákay, Attila; Decker, Martin; Wintz, Sebastian; Finizio, Simone; Josten, Elisabeth; Raabe, Jörg; Kronseder, Matthias; Bougeard, Dominique; Lindner, Jürgen; Back, Christian Horst

    2018-05-09

    We present a detailed study on the static magnetic properties of individual permalloy nanotubes (NTs) with hexagonal cross-sections. Anisotropic magnetoresistance (AMR) measurements and scanning transmission X-ray microscopy (STXM) are used to investigate their magnetic ground states and its stability. We find that the magnetization in zero applied magnetic field is in a very stable vortex state. Its origin is attributed to a strong growth-induced anisotropy with easy axis perpendicular to the long axis of the tubes. AMR measurements of individual NTs in combination with micromagnetic simulations allow the determination of the magnitude of the growth-induced anisotropy for different types of NT coatings. We show that the strength of the anisotropy can be controlled by introducing a buffer layer underneath the magnetic layer. The magnetic ground states depend on the external magnetic field history and are directly imaged using STXM. Stable vortex domains can be introduced by external magnetic fields and can be erased by radio-frequency magnetic fields applied at the center of the tubes via a strip line antenna.

  14. High Fidelity Preparation of a Single Atom in Its 2D Center of Mass Ground State

    NASA Astrophysics Data System (ADS)

    Sompet, Pimonpan; Fung, Yin Hsien; Schwartz, Eyal; Hunter, Matthew D. J.; Phrompao, Jindaratsamee; Andersen, Mikkel F.

    2017-04-01

    Complete control over quantum states of individual atoms is important for the study of the microscopic world. Here, we present a push button method for high fidelity preparation of a single 85Rb atom in the vibrational ground state of tightly focused optical tweezers. The method combines near-deterministic preparation of a single atom with magnetically-insensitive Raman sideband cooling. We achieve 2D cooling in the radial plane with a ground state population of 0.85, which provides a fidelity of 0.7 for the entire procedure (loading and cooling). The Raman beams couple two sublevels (| F = 3 , m = 0 〉 and | F = 2 , m = 0 〉) that are indifferent to magnetic noise to first order. This leads to long atomic coherence times, and allows us to implement the cooling in an environment where magnetic field fluctuations prohibit previously demonstrated variations. Additionally, we implement the trapping and manipulation of two atoms confined in separate dynamically reconfigurable optical tweezers, to study few-body dynamics.

  15. Ground state and magnetic phase transitions of the spin Lieb nanolattice: Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Masrour, R.; Jabar, A.

    2018-02-01

    We study the ground state and magnetic properties of the spin Lieb nanolattice with three lattice sites with spins (S = 2 , σ = 1 / 2 , q = 3 / 2) using Monte Carlo simulations. The ground state phase diagrams of the Lieb nanolattice have been studied. The phase diagrams show some key features: coexistence between regions, points where six, eight and ten states can coexist. The total and partial magnetization of each sublattice is given and the corresponding magnetic susceptibility is also found. The variation of total magnetization with the exchange interaction RSq and Rσq of the Lieb nanolattice with three lattice sites with spins (S , σ , q) has been studied. Moreover, the total magnetization versus the fields Δ /JSσ of the Lieb nanolattice with three lattice sites with spins (S , σ , q) are established for several values of Rσq and Rsq. Magnetic hysteresis cycles of the Lieb nanolattice with three lattice sites with spins (S , σ , q) are found for several values of Rsq and temperature. We show that the superparamagnetism behaviour appears for a weak coupling value between S and q thus around the transition temperature.

  16. A Computational Study on the Ground and Excited States of Nickel Silicide.

    PubMed

    Schoendorff, George; Morris, Alexis R; Hu, Emily D; Wilson, Angela K

    2015-09-17

    Nickel silicide has been studied with a range of computational methods to determine the nature of the Ni-Si bond. Additionally, the physical effects that need to be addressed within calculations to predict the equilibrium bond length and bond dissociation energy within experimental error have been determined. The ground state is predicted to be a (1)Σ(+) state with a bond order of 2.41 corresponding to a triple bond with weak π bonds. It is shown that calculation of the ground state equilibrium geometry requires a polarized basis set and treatment of dynamic correlation including up to triple excitations with CR-CCSD(T)L resulting in an equilibrium bond length of only 0.012 Å shorter than the experimental bond length. Previous calculations of the bond dissociation energy resulted in energies that were only 34.8% to 76.5% of the experimental bond dissociation energy. It is shown here that use of polarized basis sets, treatment of triple excitations, correlation of the valence and subvalence electrons, and a Λ coupled cluster approach is required to obtain a bond dissociation energy that deviates as little as 1% from experiment.

  17. Thermodynamic framework for the ground state of a simple quantum system

    NASA Astrophysics Data System (ADS)

    Souza, Andre M. C.; Nobre, Fernando D.

    2017-01-01

    The ground state of a two-level system (associated with probabilities p and 1 -p , respectively) defined by a general Hamiltonian H ̂=Ĥ0+λ V ̂ is studied. The simple case characterized by λ =0 , whose Hamiltonian Ĥ0 is represented by a diagonal matrix, is well established and solvable within Boltzmann-Gibbs statistical mechanics; in particular, it follows the third law of thermodynamics, presenting zero entropy (SBG=0 ) at zero temperature (T =0 ). Herein it is shown that the introduction of a perturbation λ V ̂ (λ >0 ) in the Hamiltonian may lead to a nontrivial ground state, characterized by an entropy S [p ] (with S [p ] ≠SBG[p ] ), if the Hermitian operator V ̂ is represented by a 2 ×2 matrix, defined by nonzero off-diagonal elements V12=V21=-z , where z is a real positive number. Hence, this new term in the Hamiltonian, presenting V12≠0 , may produce physically significant changes in the ground state, and especially, it allows for the introduction of an effective temperature θ (θ ∝λ z ), which is shown to be a parameter conjugated to the entropy S . Based on this, one introduces an infinitesimal heatlike quantity, δ Q =θ d S , leading to a consistent thermodynamic framework, and by proposing an infinitesimal form for the first law, a Carnot cycle and thermodynamic potentials are obtained. All results found are very similar to those of usual thermodynamics, through the identification T ↔θ , and particularly the form for the efficiency of the proposed Carnot Cycle. Moreover, S also follows a behavior typical of a third law, i.e., S →0 , when θ →0 .

  18. Thermodynamic framework for the ground state of a simple quantum system.

    PubMed

    Souza, Andre M C; Nobre, Fernando D

    2017-01-01

    The ground state of a two-level system (associated with probabilities p and 1-p, respectively) defined by a general Hamiltonian H[over ̂]=H[over ̂]_{0}+λV[over ̂] is studied. The simple case characterized by λ=0, whose Hamiltonian H[over ̂]_{0} is represented by a diagonal matrix, is well established and solvable within Boltzmann-Gibbs statistical mechanics; in particular, it follows the third law of thermodynamics, presenting zero entropy (S_{BG}=0) at zero temperature (T=0). Herein it is shown that the introduction of a perturbation λV[over ̂] (λ>0) in the Hamiltonian may lead to a nontrivial ground state, characterized by an entropy S[p] (with S[p]≠S_{BG}[p]), if the Hermitian operator V[over ̂] is represented by a 2×2 matrix, defined by nonzero off-diagonal elements V_{12}=V_{21}=-z, where z is a real positive number. Hence, this new term in the Hamiltonian, presenting V_{12}≠0, may produce physically significant changes in the ground state, and especially, it allows for the introduction of an effective temperature θ (θ∝λz), which is shown to be a parameter conjugated to the entropy S. Based on this, one introduces an infinitesimal heatlike quantity, δQ=θdS, leading to a consistent thermodynamic framework, and by proposing an infinitesimal form for the first law, a Carnot cycle and thermodynamic potentials are obtained. All results found are very similar to those of usual thermodynamics, through the identification T↔θ, and particularly the form for the efficiency of the proposed Carnot Cycle. Moreover, S also follows a behavior typical of a third law, i.e., S→0, when θ→0.

  19. New more accurate calculations of the ground state potential energy surface of H(3) (+).

    PubMed

    Pavanello, Michele; Tung, Wei-Cheng; Leonarski, Filip; Adamowicz, Ludwik

    2009-02-21

    Explicitly correlated Gaussian functions with floating centers have been employed to recalculate the ground state potential energy surface (PES) of the H(3) (+) ion with much higher accuracy than it was done before. The nonlinear parameters of the Gaussians (i.e., the exponents and the centers) have been variationally optimized with a procedure employing the analytical gradient of the energy with respect to these parameters. The basis sets for calculating new PES points were guessed from the points already calculated. This allowed us to considerably speed up the calculations and achieve very high accuracy of the results.

  20. Ground states for fractional Schrödinger equations with critical growth

    NASA Astrophysics Data System (ADS)

    Li, Quanqing; Teng, Kaimin; Wu, Xian

    2018-03-01

    In this paper, we study the following critical fractional Schrödinger equation: (-Δ) su +V (x ) u =|u |2s*-2u +λ f (x ,u ) , x ∈RN, where λ > 0, 0 < s < 1, N > 2s, 2s*=2/N N -2 s , (-Δ)s denotes the fractional Laplacian of order s, and f is a continuous superlinear but subcritical function. When V and f are asymptotically periodic in x, we prove that the equation has a ground state solution for large λ by the Nehari method.

  1. On the number of infinite geodesics and ground states in disordered systems

    NASA Astrophysics Data System (ADS)

    Wehr, Jan

    1997-04-01

    We study first-passage percolation models and their higher dimensional analogs—models of surfaces with random weights. We prove that under very general conditions the number of lines or, in the second case, hypersurfaces which locally minimize the sum of the random weights is with probability one equal to 0 or with probability one equal to +∞. As corollaries we show that in any dimension d≥2 the number of ground states of an Ising ferromagnet with random coupling constants equals (with probability one) 2 or +∞. Proofs employ simple large-deviation estimates and ergodic arguments.

  2. Characteristics of cloud-to-ground lightning flashes along the east coast of the United States

    NASA Technical Reports Server (NTRS)

    Orville, R. E., Sr.; Pyle, R. B.; Henderson, R. W.; Orville, R. E., Jr.; Weisman, R. A.

    1985-01-01

    A magnetic direction-finding network for the detection of lightning cloud-to-ground strikes has been installed along the east coast of the United States. Most of the lightning occurring from Maine to Florida and as far west as Ohio is detected. Time, location, flash polarity, stroke count, and peak signal amplitude are recorded in real time. Flash locations, time, and polarity are displayed routinely for research and operational purposes. Flash density maps have been generated for the summers of 1983 and 1984, when the network only extended to North Carolina, and show density maxima in northern Virginia and Maryland.

  3. Asymptotic Behaviour of the Ground State of Singularly Perturbed Elliptic Equations

    NASA Astrophysics Data System (ADS)

    Piatnitski, Andrey L.

    The ground state of a singularly perturbed nonselfadjoint elliptic operator defined on a smooth compact Riemannian manifold with metric aij(x)=(aij(x))-1, is studied. We investigate the limiting behaviour of the first eigenvalue of this operator as μ goes to zero, and find the logarithmic asymptotics of the first eigenfunction everywhere on the manifold. The results are formulated in terms of auxiliary variational problems on the manifold. This approach also allows to study the general singularly perturbed second order elliptic operator on a bounded domain in Rn.

  4. Ground-state fidelity and bipartite entanglement in the Bose-Hubbard model.

    PubMed

    Buonsante, P; Vezzani, A

    2007-03-16

    We analyze the quantum phase transition in the Bose-Hubbard model borrowing two tools from quantum-information theory, i.e., the ground-state fidelity and entanglement measures. We consider systems at unitary filling comprising up to 50 sites and show for the first time that a finite-size scaling analysis of these quantities provides excellent estimates for the quantum critical point. We conclude that fidelity is particularly suited for revealing a quantum phase transition and pinning down the critical point thereof, while the success of entanglement measures depends on the mechanisms governing the transition.

  5. Ground-state properties of trapped Bose-Fermi mixtures: Role of exchange correlation

    SciTech Connect

    Albus, Alexander P.; Wilkens, Martin; Illuminati, Fabrizio

    2003-06-01

    We introduce density-functional theory for inhomogeneous Bose-Fermi mixtures, derive the associated Kohn-Sham equations, and determine the exchange-correlation energy in local-density approximation. We solve numerically the Kohn-Sham system, and determine the boson and fermion density distributions and the ground-state energy of a trapped, dilute mixture beyond mean-field approximation. The importance of the corrections due to exchange correlation is discussed by a comparison with current experiments; in particular, we investigate the effect of the repulsive potential-energy contribution due to exchange correlation on the stability of the mixture against collapse.

  6. Jastrow-like ground states for quantum many-body potentials with near-neighbors interactions

    NASA Astrophysics Data System (ADS)

    Baradaran, Marzieh; Carrasco, José A.; Finkel, Federico; González-López, Artemio

    2018-01-01

    We completely solve the problem of classifying all one-dimensional quantum potentials with nearest- and next-to-nearest-neighbors interactions whose ground state is Jastrow-like, i.e., of Jastrow type but depending only on differences of consecutive particles. In particular, we show that these models must necessarily contain a three-body interaction term, as was the case with all previously known examples. We discuss several particular instances of the general solution, including a new hyperbolic potential and a model with elliptic interactions which reduces to the known rational and trigonometric ones in appropriate limits.

  7. Towards photonic quantum simulation of ground states of frustrated Heisenberg spin systems

    PubMed Central

    Ma, Xiao-song; Dakić, Borivoje; Kropatschek, Sebastian; Naylor, William; Chan, Yang-hao; Gong, Zhe-xuan; Duan, Lu-ming; Zeilinger, Anton; Walther, Philip

    2014-01-01

    Photonic quantum simulators are promising candidates for providing insight into other small- to medium-sized quantum systems. Recent experiments have shown that photonic quantum systems have the advantage to exploit quantum interference for the quantum simulation of the ground state of Heisenberg spin systems. Here we experimentally characterize this quantum interference at a tuneable beam splitter and further investigate the measurement-induced interactions of a simulated four-spin system by comparing the entanglement dynamics using pairwise concurrence. We also study theoretically a four-site square lattice with next-nearest neighbor interactions and a six-site checkerboard lattice, which might be in reach of current technology. PMID:24394808

  8. Ground-states for the liquid drop and TFDW models with long-range attraction

    NASA Astrophysics Data System (ADS)

    Alama, Stan; Bronsard, Lia; Choksi, Rustum; Topaloglu, Ihsan

    2017-10-01

    We prove that both the liquid drop model in R 3 with an attractive background nucleus and the Thomas-Fermi-Dirac-von Weizsäcker (TFDW) model attain their ground-states for all masses as long as the external potential V(x) in these models is of long range, that is, it decays slower than Newtonian (e.g., V ( x ) ≫ | x | - 1 for large |x|.) For the TFDW model, we adapt classical concentration-compactness arguments by Lions, whereas for the liquid drop model with background attraction, we utilize a recent compactness result for sets of finite perimeter by Frank and Lieb.

  9. Restoring the Pauli principle in the random phase approximation ground state

    NASA Astrophysics Data System (ADS)

    Kosov, D. S.

    2017-12-01

    Random phase approximation ground state contains electronic configurations where two (and more) identical electrons can occupy the same molecular spin-orbital violating the Pauli exclusion principle. This overcounting of electronic configurations happens due to quasiboson approximation in the treatment of electron-hole pair operators. We describe the method to restore the Pauli principle in the RPA wavefunction. The proposed theory is illustrated by the calculations of molecular dipole moments and electronic kinetic energies. The Hartree-Fock based RPA, which is corrected for the Pauli principle, gives the results of comparable accuracy with Møller-Plesset second order perturbation theory and coupled-cluster singles and doubles method.

  10. Auditory Power-Law Activation Avalanches Exhibit a Fundamental Computational Ground State

    NASA Astrophysics Data System (ADS)

    Stoop, Ruedi; Gomez, Florian

    2016-07-01

    The cochlea provides a biological information-processing paradigm that we are only beginning to understand in its full complexity. Our work reveals an interacting network of strongly nonlinear dynamical nodes, on which even a simple sound input triggers subnetworks of activated elements that follow power-law size statistics ("avalanches"). From dynamical systems theory, power-law size distributions relate to a fundamental ground state of biological information processing. Learning destroys these power laws. These results strongly modify the models of mammalian sound processing and provide a novel methodological perspective for understanding how the brain processes information.

  11. Polytypism in the ground state structure of the Lennard-Jonesium.

    PubMed

    Pártay, Lívia B; Ortner, Christoph; Bartók, Albert P; Pickard, Chris J; Csányi, Gábor

    2017-07-26

    We present a systematic study of the stability of nineteen different periodic structures using the finite range Lennard-Jones potential model discussing the effects of pressure, potential truncation, cutoff distance and Lennard-Jones exponents. The structures considered are the hexagonal close packed (hcp), face centred cubic (fcc) and seventeen other polytype stacking sequences, such as dhcp and 9R. We found that at certain pressure and cutoff distance values, neither fcc nor hcp is the ground state structure as previously documented, but different polytypic sequences. This behaviour shows a strong dependence on the way the tail of the potential is truncated.

  12. Ground state transitions in vertically coupled N-layer single electron quantum dots

    NASA Astrophysics Data System (ADS)

    Xie, Wenfang; Wang, Anmei

    2003-12-01

    A method is proposed to exactly diagonalize the Hamiltonian of a N-layer quantum dot containing a single electron in each dot in arbitrary magnetic fields. For N=4, the energy spectra of the dot are calculated as a function of the applied magnetic field. We find discontinuous ground-state energy transitions induced by an external magnetic field in the case of strong coupling. However, in the case of weak coupling, such a transition does not occur and the angular momentum remains zero.

  13. Ground state of excitonic molecules by the Green's-function Monte Carlo method

    SciTech Connect

    Lee, M.A.; Vashishta, P.; Kalia, R.K.

    1983-12-26

    The ground-state energy of excitonic molecules is evaluated as a function of the ratio of electron and hole masses, sigma, with use of the Green's-function Monte Carlo method. For all sigma, the Green's-function Monte Carlo energies are significantly lower than the variational estimates and in favorable agreement with experiments. In excitonic rydbergs, the binding energy of the positronium molecule (sigma = 1) is predicted to be -0.06 and for sigma<<1, the Green's-function Monte Carlo energies agree with the ''exact'' limiting behavior, E = -2.346+0.764sigma.

  14. The laser versus the lamp: Reactivity of the diphenyl ketyl radical in the ground and excited states

    NASA Astrophysics Data System (ADS)

    Baumann, H.; Merckel, C.; Timpe, H.-J.; Graness, A.; Kleinschmidt, J.; Gould, I. R.; Turro, N. J.

    1984-01-01

    The diphenyl ketyl radical which is formed upon photolysis of α-phenyl benzoin is produced in its excited state upon intense pulsed laser irradiation. Using the techniques of time-resolved absorption and emission spectroscopy, reaction rate constants for the ground and excited states of this radical were obtained. For the radical quenchers employed, the excited state reactivity is found to be typically several orders of magnitude greater than that of the ground state. It is concluded that the excited state of diphenyl ketyl radical reacts predominantly by electron transfer processes.

  15. Conformationally Constrained, Stable, Triplet Ground State (S = 1) Nitroxide Diradicals. Antiferromagnetic Chains of S = 1 Diradicals

    SciTech Connect

    Rajca, Andrzej; Takahashi, Masahiro; Pink, Maren

    2008-06-30

    Nitroxide diradicals, in which nitroxides are annelated to m-phenylene forming tricyclic benzobisoxazine-like structures, have been synthesized and characterized by X-ray crystallography, magnetic resonance (EPR and {sup 1}H NMR) spectroscopy, as well as magnetic studies in solution and in solid state. For the octamethyl derivative of benzobisoxazine nitroxide diradical, the conformationally constrained nitroxide moieties are coplanar with the m-phenylene, leading to large values of 2J (2J/k > 200 K in solution and 2J/k >> 300 K in the solid state). For the diradical, in which all ortho and para positions of the m-phenylene are sterically shielded, distortion of the nitroxide moietiesmore » from coplanarity is moderate, such that the singlet-triplet gaps remain large in both solution (2J/k > 200 K) and the solid state (2J/k {approx} 400-800 K), though an onset of thermal depopulation of the triplet ground state is detectable near room temperature. These diradicals have robust triplet ground states with strong ferromagnetic coupling and good stability at ambient conditions. Magnetic behavior of the nitroxide diradicals at low temperature is best fit to the model of one-dimensional S = 1 Heisenberg chains with intrachain antiferromagnetic coupling. The antiferromagnetic coupling between the S = 1 diradicals may be associated with the methyl nitroxide C-H {hor_ellipsis} O contacts, including nonclassical hydrogen bonds. These unprecedented organic S = 1 antiferromagnetic chains are highly isotropic, compared to those of the extensively studied Ni(II)-based chains.« less

  16. Spin-isospin excitations from the ground-state of 64Ni

    SciTech Connect

    Popescu, L.; Frenne, D. de; Jacobs, E.

    2006-03-13

    Spin-isospin (Gamow-Teller) excitations in 64Cu and 64Co have been studied using (3He,t) and (d,2He) charge-exchange reactions on 64Ni. As the isospin of the 64Ni ground-state is T0=4, states with T=3, 4 and 5 in 64Cu are excited via the (3He,t) reaction and states with T=5 in 64Co via (d,2He). If we assume that the nuclear interaction is charge symmetric, the T=5 states in 64Cu should appear at corresponding excitation energies (if corrected for the Coulomb displacement) and with similar strengths as the T=5 states in 64Co. As in the 64Cu spectrum the T=5 states are very weakly excited, only bymore » combining the results of the two complementary experiments one can estimate the Gamow-Teller strength starting from 64Ni in a consistent way.« less

  17. Quantum communication for satellite-to-ground networks with partially entangled states

    NASA Astrophysics Data System (ADS)

    Chen, Na; Quan, Dong-Xiao; Pei, Chang-Xing; Yang-Hong

    2015-02-01

    To realize practical wide-area quantum communication, a satellite-to-ground network with partially entangled states is developed in this paper. For efficiency and security reasons, the existing method of quantum communication in distributed wireless quantum networks with partially entangled states cannot be applied directly to the proposed quantum network. Based on this point, an efficient and secure quantum communication scheme with partially entangled states is presented. In our scheme, the source node performs teleportation only after an end-to-end entangled state has been established by entanglement swapping with partially entangled states. Thus, the security of quantum communication is guaranteed. The destination node recovers the transmitted quantum bit with the help of an auxiliary quantum bit and specially defined unitary matrices. Detailed calculations and simulation analyses show that the probability of successfully transferring a quantum bit in the presented scheme is high. In addition, the auxiliary quantum bit provides a heralded mechanism for successful communication. Based on the critical components that are presented in this article an efficient, secure, and practical wide-area quantum communication can be achieved. Project supported by the National Natural Science Foundation of China (Grant Nos. 61072067 and 61372076), the 111 Project (Grant No. B08038), the Fund from the State Key Laboratory of Integrated Services Networks (Grant No. ISN 1001004), and the Fundamental Research Funds for the Central Universities (Grant Nos. K5051301059 and K5051201021).

  18. Effects of ground trainer use on the psychological and physiological states of students in private pilot training.

    DOT National Transportation Integrated Search

    1976-03-01

    Student pilots receiving all instruction in an aircraft and student pilots who received a portion of their flight training in a ground trainer were compared in terms of flying proficiency, psychological (anxiety) states during training, and certain p...

  19. State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

    PubMed

    Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H

    2013-10-07

    The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.

  20. Estimating the Probability of Elevated Nitrate Concentrations in Ground Water in Washington State

    USGS Publications Warehouse

    Frans, Lonna M.

    2008-01-01

    Logistic regression was used to relate anthropogenic (manmade) and natural variables to the occurrence of elevated nitrate concentrations in ground water in Washington State. Variables that were analyzed included well depth, ground-water recharge rate, precipitation, population density, fertilizer application amounts, soil characteristics, hydrogeomorphic regions, and land-use types. Two models were developed: one with and one without the hydrogeomorphic regions variable. The variables in both models that best explained the occurrence of elevated nitrate concentrations (defined as concentrations of nitrite plus nitrate as nitrogen greater than 2 milligrams per liter) were the percentage of agricultural land use in a 4-kilometer radius of a well, population density, precipitation, soil drainage class, and well depth. Based on the relations between these variables and measured nitrate concentrations, logistic regression models were developed to estimate the probability of nitrate concentrations in ground water exceeding 2 milligrams per liter. Maps of Washington State were produced that illustrate these estimated probabilities for wells drilled to 145 feet below land surface (median well depth) and the estimated depth to which wells would need to be drilled to have a 90-percent probability of drawing water with a nitrate concentration less than 2 milligrams per liter. Maps showing the estimated probability of elevated nitrate concentrations indicated that the agricultural regions are most at risk followed by urban areas. The estimated depths to which wells would need to be drilled to have a 90-percent probability of obtaining water with nitrate concentrations less than 2 milligrams per liter exceeded 1,000 feet in the agricultural regions; whereas, wells in urban areas generally would need to be drilled to depths in excess of 400 feet.

  1. Rovibrational Interactions in the Ground and Two Lowest Excited Vibrational States of Methoxy Isocyanate

    NASA Astrophysics Data System (ADS)

    Pienkina, A.; Margulès, L.; Motiyenko, R. A.; Guillemin, J.-C.

    2017-06-01

    Recent detection of methyl isocyanate (CH_3NCO) in the Orion, towards Sgr B2(N) and on the surface of the comet 67P/Churyumov-Gerasimenko motivated us to study another isocyanate, methoxy isocyanate (CH_3ONCO) as a possible candidate molecule for searches in the interstellar clouds. Neither identification or laboratory rotational spectra of CH_3ONCO has been reported up to now. Methoxy isocyanate was synthesized by the flash vacuum pyrolysis of N-Methoxycarbonyl-O-methyl-hydroxylamine (MeOC(O)NHOMe) at a temperature of 800 K. Experimental spectrum of CH_3ONCO was recorded in situ in the millimeter-wave range (75-105 GHz and 150-330 GHz) using Lille's fast-scan fully solid-state DDS spectrometer. The recorded spectrum is strongly perturbed due to the interaction between the overall rotation and the skeletal torsion. Perturbations affect even rotational transitions with low K_a levels of the ground vibrational state, appearing in shifting frequency predictions and intensities distortions of the lines. The interactions are significant due to the relatively small vibrational energy difference (≈50 \\wn) between the states and different representations of the C_s symmetry point group for the ground (A'), ν_{18}=1 (A'') and ν_{18}=2 (A') vibrational states, thus leading to a "ladder" of multiple resonances by means of a-, and b-type Coriolis coupling. The global fit analysis of the rotational spectrum of methoxy isocyanate using Coriolis coupling terms in the ground and two lowest vibrational states (ν_{18}=1 and ν_{18}=2) will be presented. J. Cernicharo, N. Marcelino, E. Roueff et al. 2012, ApJ, 759, L43 D. T. Halfen, V. V. Ilyushin, & L. M. Ziurys, 2015, ApJ, 812, L5 F. Goesmann, H. Rosenbauer, J. H. Bredehöft et al. 2015, Science, 349.6247, aab0689 This work was funded by the French ANR under the Contract No. ANR-13-BS05-0008-02 IMOLABS.

  2. Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.

    PubMed

    Ellis, J Michael; Altman, Michael D; Cash, Brandon; Haidle, Andrew M; Kubiak, Rachel L; Maddess, Matthew L; Yan, Youwei; Northrup, Alan B

    2016-12-08

    Optimization of a series of highly potent and kinome selective carbon-linked carboxamide spleen tyrosine kinase (Syk) inhibitors with favorable drug-like properties is described. A pervasive Ames liability in an analogous nitrogen-linked carboxamide series was obviated by replacement with a carbon-linked moiety. Initial efforts lacked on-target potency, likely due to strain induced between the hinge binding amide and solvent front heterocycle. Consideration of ground state and bound state energetics allowed rapid realization of improved solvent front substituents affording subnanomolar Syk potency and high kinome selectivity. These molecules were also devoid of mutagenicity risk as assessed via the Ames test using the TA97a Salmonella strain.

  3. Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization

    PubMed Central

    2016-01-01

    Optimization of a series of highly potent and kinome selective carbon-linked carboxamide spleen tyrosine kinase (Syk) inhibitors with favorable drug-like properties is described. A pervasive Ames liability in an analogous nitrogen-linked carboxamide series was obviated by replacement with a carbon-linked moiety. Initial efforts lacked on-target potency, likely due to strain induced between the hinge binding amide and solvent front heterocycle. Consideration of ground state and bound state energetics allowed rapid realization of improved solvent front substituents affording subnanomolar Syk potency and high kinome selectivity. These molecules were also devoid of mutagenicity risk as assessed via the Ames test using the TA97a Salmonella strain. PMID:27994755

  4. Electronic and structural ground state of heavy alkali metals at high pressure

    NASA Astrophysics Data System (ADS)

    Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

    2015-02-01

    Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

  5. Systematics of ground state multiplets of atomic nuclei in the delta-interaction approach

    SciTech Connect

    Imasheva, L. T.; Ishkhanov, B. S.; Stepanov, M. E., E-mail: stepanov@depni.sinp.msu.ru

    2015-12-15

    Pairing forces between nucleons in an atomic nucleus strongly influence its structure. One of the manifestations of pair interaction is the ground state multiplet (GSM) formation in the spectrum of low-lying excited states of even–even nuclei. The value of GSM splitting is determined by the value of pair interaction of nucleons; for each isotope, it can be estimated on the basis of experimental nuclear masses. The quality of this estimate is characterized by the degree of reproduction of GSM levels in the nucleus. The GSM systematics in even–even nuclei with a pair of identical nucleons in addition to the filledmore » nuclear core is considered on the basis of delta interaction.« less

  6. Studies on the magnetic ground state of a spin Mobius strip

    DOE PAGES

    Newton, Graham N.; Hoshino, Norihisa; Matsumoto, Takuto; ...

    2016-08-22

    In this paper, we report the synthesis, structure and detailed characterisation of three n-membered oxovanadium rings, Na n[(V=O) nNa n(H 2O) n(α, β, or γ-CD) 2]•m H 2O (n=6, 7, or 8), prepared by the reactions of (V=O)SO 4•x H 2O with α, β, or γ-cyclodextrins (CDs) and NaOH in water. Their alternating heterometallic vanadium/sodium cyclic core structures were sandwiched between two CD moieties such that O-Na-O groups separated the neighbouring vanadyl ions. Antiferromagnetic interactions between the S=1/2 vanadyl ions led to S=0 ground states for the even-membered rings, but to two quasi-degenerate S=1/2 states for the spin-frustrated heptanuclear cluster.

  7. The Electronic Ground State of the Nitrate Radical: a Decade of Controversy

    NASA Astrophysics Data System (ADS)

    Stanton, John F.

    2017-06-01

    In the ten years since the traditional assignment of its degenerate stretching fundamental became controversial, a great deal of work - both theoretical and experimental - has been done on the NO_3 molecule. A brief review of these developments will be given, and results of very high-level calculations of the dispersed fluorescence and negative ion photoelectron spectra of this molecule will be presented together with the corresponding experimental results. In addition, the question of "what is next to do" on the ground state - from a theoretical point of view - will be addressed. Time permitting, some discussion will also be devoted to the strongly Jahn-Teller active ^2E^{''} (first excited) electronic state, where the level of understanding and agreement thus far obtained from experiment and theory is still at a rather primitive stage.

  8. Ground-state cooling of a carbon nanomechanical resonator by spin-polarized current.

    PubMed

    Stadler, P; Belzig, W; Rastelli, G

    2014-07-25

    We study the nonequilibrium steady state of a mechanical resonator in the quantum regime realized by a suspended carbon nanotube quantum dot in contact with two ferromagnets. Because of the spin-orbit interaction and/or an external magnetic field gradient, the spin on the dot couples directly to the flexural eigenmodes. Accordingly, the nanomechanical motion induces inelastic spin flips of the tunneling electrons. A spin-polarized current at finite bias voltage causes either heating or active cooling of the mechanical modes. We show that maximal cooling is achieved at resonant transport when the energy splitting between two dot levels of opposite spin equals the vibrational frequency. Even for weak electron-resonator coupling and moderate polarizations we can achieve ground-state cooling with a temperature of the leads, for instance, of T = 10 ω.

  9. Electronic and structural ground state of heavy alkali metals at high pressure

    DOE PAGES

    Fabbris, G.; Lim, J.; Veiga, L. S. I.; ...

    2015-02-17

    Here, alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We investigate the high pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with ab initio theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the oC84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of themore » valence electrons characterized by pseudo-gap formation near the Fermi level and strong spd hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.« less

  10. The first-principles investigations on magnetic ground-state in Sm-doped phenanthrene

    NASA Astrophysics Data System (ADS)

    Han, Jia-Xing; Zhong, Guo-Hua; Wang, Xiao-Hui; Chen, Xiao-Jia; Lin, Hai-Qing

    2017-05-01

    Based on the density functional theory plus the effective Coulomb repulsion U, we have investigated the crystal structure, electronic properties and magnetic characteristics in Sm-doped phenanthrene, recently characterized as a superconductor with Tc˜5 -6 Kelvin. Calculated total energies of different magnetic states indicate that Sm-doped phenanthrene is stable at the ferromagnetic ground-state. Considered the strong electronic correlations effect due to the intercalation of Sm-4f electrons, we found that the Sm-4f contributes to the Fermi surface together with C-2p, which is different from K-doped phenanthrene. Compared with alkali-metal-doped phenanthrene, Sm atom has larger local magnetic moment, which suppresses the superconductivity in conventional superconductors. Our results indicate that the electron-electron correlations play an important role in superconductivity of Sm-doped phenanthrene.

  11. Analytic Empirical Potentials for all Stable Isotopologues of the Ground X(^1Σ^+) State of ZnO from Purely Rotational Measurements

    NASA Astrophysics Data System (ADS)

    Dattani, Nikesh S.; Zack, Lindsay; Sun, Ming; Johnson, Erin R.; Le Roy, Robert; Ziurys, Lucy

    2014-06-01

    We report eight new ultra-high precision (±5 kHz) measurements of purely rotational N(1←0) transitions in several vibrational states of all stable isotopologues of the ground X(11Σ+) -state of ZnO. Combined with previous high-resolution (±50 kHz) measurements of purely rotational transitions between higher rotational states for the same system, we are able to build analytic potentials for 64Zn16O, 66Zn16O, 67Zn16O, 68Zn16O, and 70Zn16O, that are in full agreement with all known spectroscopic measurements of the system. Despite there being absolutely no vibrational information, our empirical potentials are able to determine the size of the vibrational spacings and the bond lengths, each with a precision of more than two orders of magnitude greater than the most precise empirical values previously known. We then use the XDM method to calculate values for the C6, C8, and C10 long-range constants for this molecule, and use these to accurately anchor the long-range regions of the potentials, where no measurements have yet been performed. In the region lying between the short-range measurements and the long-range theory on which our potentials are based, our final analytic global potentials are in very good agreement with state of the art ab initio potentials. L. N. Zack, R. L. Pulliam, L. M. Ziurys, J. Mol. Spec., 256, 186-191 (2009).

  12. The magnetic ground state and relationship to Kitaev physics in α-RuCl3

    NASA Astrophysics Data System (ADS)

    Banerjee, Arnab

    The 2D Kitaev candidate alpha-RuCl3 consists of stacked honeycomb layers weakly coupled by Van der Waals interactions. Here we report the measurements of bulk properties and neutron diffraction in both powder and single crystal samples. Our results show that the full three dimensional magnetic ground state is highly pliable with at least two dominant phases corresponding to two different out-of-plane magnetic orders. They have different Neel temperatures dependent on the stacking of the 2D layers, such as a broad magnetic transition at TN = 14 K as observed in phase-pure powder samples, or a sharp magnetic transition at a lower TN = 7 K as observed in homogeneous single crystals with no evidence for stacking faults. The magnetic refinements of the neutron scattering data will be discussed, which in all cases shows the in-plane magnetic ground state is the zigzag phase common in Kitaev related materials including the honeycomb lattice Iridates. Inelastic neutron scattering in all cases shows that this material consistently exhibit strong two-dimensional magnetic fluctuations leading to a break-down of the classical spin-wave picture. Work performed at ORNL is supported by U.S. Dept. of Energy, Office of Basic Energy Sciences and Office of User Facilities Division.

  13. Ground-State Hyperfine Structure of Heavy Hydrogen-Like Ions

    NASA Astrophysics Data System (ADS)

    Kühl, T.; Borneis, S.; Dax, A.; Engel, T.; Faber, S.; Gerlach, M.; Holbrow, C.; Huber, G.; Marx, D.; Merz, P.; Quint, W.; Schmitt, F.; Seelig, P.; Tomaselli, M.; Winter, H.; Wuertz, M.; Beckert, K.; Franzke, B.; Nolden, F.; Reich, H.; Steck, M.

    Contributions of quantum electrodynamics (QED) to the combined electric and magnetic interaction between the electron and the nucleus can be studied by optical spectroscopy in high-Z hydrogen-like heavy ions. The transition studied is the ground-state hyperfine structure transition, well known from the 21 cm line in atomic hydrogen. The hyperfine splitting of the is ground state of hydrogen-like systems constitutes the simplest and most basic magnetic interaction in atomic physics. The Z3-increase leads to a transition energy in the UV-region of the optical spectrum for the case of Bi82+. At the same time, the QED correction rises to nearly 1 fraction of higher order contributions. This situation is particularly useful for a comparison with non-perturbative QED calculations. The combination of exceptionally intense electric and magnetic fields electric and magnetic fields is unique. This transition has become accessible to precision laser spectroscopy at the high-energy heavy-ion storage ring at GSI-Darmstadt in the hydrogen-like 209Bi82+ and 207Pb81+. In the meantime, 165Ho66+ and 185,187Re74+ were also studied with reduced resolution by conventional optical spectroscopy at the SuperEBIT ion trap at Lawrence Livermore National Laboratory.

  14. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    SciTech Connect

    Morini, Filippo; Deleuze, Michael Simon, E-mail: michael.deleuze@uhasselt.be; Watanabe, Noboru

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point outmore » in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.« less

  15. Rationalization of the solvation effects on the AtO+ ground-state change.

    PubMed

    Ayed, Tahra; Réal, Florent; Montavon, Gilles; Galland, Nicolas

    2013-09-12

    (211)At radionuclide is of considerable interest as a radiotherapeutic agent for targeted alpha therapy in nuclear medicine, but major obstacles remain because the basic chemistry of astatine (At) is not well understood. The AtO(+) cationic form might be currently used for (211)At-labeling protocols in aqueous solution and has proved to readily react with inorganic/organic ligands. But AtO(+) reactivity must be hindered at first glance by spin restriction quantum rules: the ground state of the free cation has a dominant triplet character. Investigating AtO(+) clustered with an increasing number of water molecules and using various flavors of relativistic quantum methods, we found that AtO(+) adopts in solution a Kramers restricted closed-shell configuration resembling a scalar-relativistic singlet. The ground-state change was traced back to strong interactions, namely, attractive electrostatic interactions and charge transfer, with water molecules of the first solvation shell that lift up the degeneracy of the frontier π* molecular orbitals (MOs). This peculiarity brings an alternative explanation to the highly variable reproducibility reported for some astatine reactions: depending on the production protocols (with distillation in gas-phase or "wet chemistry" extraction), (211)At may or may not readily react.

  16. Climate-driven ground-level ozone extreme in the fall over the Southeast United States

    PubMed Central

    Wang, Yuhang

    2016-01-01

    Ground-level ozone is adverse to human and vegetation health. High ground-level ozone concentrations usually occur over the United States in the summer, often referred to as the ozone season. However, observed monthly mean ozone concentrations in the southeastern United States were higher in October than July in 2010. The October ozone average in 2010 reached that of July in the past three decades (1980–2010). Our analysis shows that this extreme October ozone in 2010 over the Southeast is due in part to a dry and warm weather condition, which enhances photochemical production, air stagnation, and fire emissions. Observational evidence and modeling analysis also indicate that another significant contributor is enhanced emissions of biogenic isoprene, a major ozone precursor, from water-stressed plants under a dry and warm condition. The latter finding is corroborated by recent laboratory and field studies. This climate-induced biogenic control also explains the puzzling fact that the two extremes of high October ozone both occurred in the 2000s when anthropogenic emissions were lower than the 1980s and 1990s, in contrast to the observed decreasing trend of July ozone in the region. The occurrences of a drying and warming fall, projected by climate models, will likely lead to more active photochemistry, enhanced biogenic isoprene and fire emissions, an extension of the ozone season from summer to fall, and an increase of secondary organic aerosols in the Southeast, posing challenges to regional air quality management. PMID:27551089

  17. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

    PubMed

    Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2012-11-13

    The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

  18. Kinetic energy partition method applied to ground state helium-like atoms.

    PubMed

    Chen, Yu-Hsin; Chao, Sheng D

    2017-03-28

    We have used the recently developed kinetic energy partition (KEP) method to solve the quantum eigenvalue problems for helium-like atoms and obtain precise ground state energies and wave-functions. The key to treating properly the electron-electron (repulsive) Coulomb potential energies for the KEP method to be applied is to introduce a "negative mass" term into the partitioned kinetic energy. A Hartree-like product wave-function from the subsystem wave-functions is used to form the initial trial function, and the variational search for the optimized adiabatic parameters leads to a precise ground state energy. This new approach sheds new light on the all-important problem of solving many-electron Schrödinger equations and hopefully opens a new way to predictive quantum chemistry. The results presented here give very promising evidence that an effective one-electron model can be used to represent a many-electron system, in the spirit of density functional theory.

  19. Dust transport model validation using satellite- and ground-based methods in the southwestern United States

    NASA Astrophysics Data System (ADS)

    Mahler, Anna-Britt; Thome, Kurt; Yin, Dazhong; Sprigg, William A.

    2006-08-01

    Dust is known to aggravate respiratory diseases. This is an issue in the desert southwestern United States, where windblown dust events are common. The Public Health Applications in Remote Sensing (PHAiRS) project aims to address this problem by using remote-sensing products to assist in public health decision support. As part of PHAiRS, a model for simulating desert dust cycles, the Dust Regional Atmospheric Modeling (DREAM) system is employed to forecast dust events in the southwestern US. Thus far, DREAM has been validated in the southwestern US only in the lower part of the atmosphere by comparison with measurement and analysis products from surface synoptic, surface Meteorological Aerodrome Report (METAR), and upper-air radiosonde. This study examines the validity of the DREAM algorithm dust load prediction in the desert southwestern United States by comparison with satellite-based MODIS level 2 and MODIS Deep Blue aerosol products, and ground-based observations from the AERONET network of sunphotometers. Results indicate that there are difficulties obtaining MODIS L2 aerosol optical thickness (AOT) data in the desert southwest due to low AOT algorithm performance over areas with high surface reflectances. MODIS Deep Blue aerosol products show improvement, but the temporal and vertical resolution of MODIS data limit its utility for DREAM evaluation. AERONET AOT data show low correlation to DREAM dust load predictions. The potential contribution of space- or ground-based lidar to the PHAiRS project is also examined.

  20. Climate-driven ground-level ozone extreme in the fall over the Southeast United States.

    PubMed

    Zhang, Yuzhong; Wang, Yuhang

    2016-09-06

    Ground-level ozone is adverse to human and vegetation health. High ground-level ozone concentrations usually occur over the United States in the summer, often referred to as the ozone season. However, observed monthly mean ozone concentrations in the southeastern United States were higher in October than July in 2010. The October ozone average in 2010 reached that of July in the past three decades (1980-2010). Our analysis shows that this extreme October ozone in 2010 over the Southeast is due in part to a dry and warm weather condition, which enhances photochemical production, air stagnation, and fire emissions. Observational evidence and modeling analysis also indicate that another significant contributor is enhanced emissions of biogenic isoprene, a major ozone precursor, from water-stressed plants under a dry and warm condition. The latter finding is corroborated by recent laboratory and field studies. This climate-induced biogenic control also explains the puzzling fact that the two extremes of high October ozone both occurred in the 2000s when anthropogenic emissions were lower than the 1980s and 1990s, in contrast to the observed decreasing trend of July ozone in the region. The occurrences of a drying and warming fall, projected by climate models, will likely lead to more active photochemistry, enhanced biogenic isoprene and fire emissions, an extension of the ozone season from summer to fall, and an increase of secondary organic aerosols in the Southeast, posing challenges to regional air quality management.

  1. Absolute radiometric calibration of advanced remote sensing systems

    NASA Technical Reports Server (NTRS)

    Slater, P. N.

    1982-01-01

    The distinction between the uses of relative and absolute spectroradiometric calibration of remote sensing systems is discussed. The advantages of detector-based absolute calibration are described, and the categories of relative and absolute system calibrations are listed. The limitations and problems associated with three common methods used for the absolute calibration of remote sensing systems are addressed. Two methods are proposed for the in-flight absolute calibration of advanced multispectral linear array systems. One makes use of a sun-illuminated panel in front of the sensor, the radiance of which is monitored by a spectrally flat pyroelectric radiometer. The other uses a large, uniform, high-radiance reference ground surface. The ground and atmospheric measurements required as input to a radiative transfer program to predict the radiance level at the entrance pupil of the orbital sensor are discussed, and the ground instrumentation is described.

  2. A five states survivability model for missions with ground-to-air threats

    NASA Astrophysics Data System (ADS)

    Erlandsson, Tina; Niklasson, Lars

    2013-05-01

    Fighter pilots are exposed to the risk of getting hit by enemy fire when flying missions with ground-to-air threats. A tactical support system including a survivability model could aid the pilot to assess and handle this risk. The survivability model presented here is a Markov model with five states; Undetected, Detected, Tracked, Engaged and Hit. The output from the model is the probabilities that the aircraft is in these states during the mission. The enemy's threat systems are represented with sensor and weapon areas and the transitions between the states depend on whether or not the aircraft is within any of these areas. Contrary to previous work, the model can capture the behaviors that the enemy's sensor systems communicate and that the risk of getting hit depends on the enemy's knowledge regarding the aircraft's kinematics. The paper includes a discussion regarding the interpretation of the states and the factors that influence the transitions between the states. Further developments are also identified for using the model to aid fighter pilots and operators of unmanned aerial vehicles with planning and evaluating missions as well as analyzing the situation during flight.

  3. Photoassociation of cold (RbCs)2 tetramers in the ground electronic state

    NASA Astrophysics Data System (ADS)

    Gacesa, Marko; Côté, Robin

    2017-04-01

    We theoretically investigate prospects for photoassociative formation of cold (RbCs)2 tetramers from a pair of ultracold RbCs molecules. The long-range region of the potential energy surface (PES) of the lowest electronic state of (RbCs)2 can be affected by orienting both RbCs molecules by an external electric field. In fact, we find a long-range barrier that supports long-range shelf states for relative angles between the dimers' internuclear axes smaller than about 20°. We show that these shelf states can be populated by spontaneous decay from the first excited electronic state which can be efficiently populated by photoassociation from the scattering continuum at ultracold temperatures. The vibrationally excited ground-state tetramer molecules formed this way have sufficiently long lifetimes to allow experimental detection. Moreover, for the relative angles between the dimers close to 20°, the proposed approach may result in production of deeply bound tetramers. Partially supported by the NASA Postdoctoral Program at the NASA Ames Research Center, administered by USRA and the MURI US Army Research Office Grant No. W911NF-14-1-0378 (MG), and by the PIF program of the National Science Foundation Grant No. PHY-141556.

  4. Estimating the absolute wealth of households

    PubMed Central

    Gerkey, Drew; Hadley, Craig

    2015-01-01

    Abstract Objective To estimate the absolute wealth of households using data from demographic and health surveys. Methods We developed a new metric, the absolute wealth estimate, based on the rank of each surveyed household according to its material assets and the assumed shape of the distribution of wealth among surveyed households. Using data from 156 demographic and health surveys in 66 countries, we calculated absolute wealth estimates for households. We validated the method by comparing the proportion of households defined as poor using our estimates with published World Bank poverty headcounts. We also compared the accuracy of absolute versus relative wealth estimates for the prediction of anthropometric measures. Findings The median absolute wealth estimates of 1 403 186 households were 2056 international dollars per capita (interquartile range: 723–6103). The proportion of poor households based on absolute wealth estimates were strongly correlated with World Bank estimates of populations living on less than 2.00 United States dollars per capita per day (R2 = 0.84). Absolute wealth estimates were better predictors of anthropometric measures than relative wealth indexes. Conclusion Absolute wealth estimates provide new opportunities for comparative research to assess the effects of economic resources on health and human capital, as well as the long-term health consequences of economic change and inequality. PMID:26170506

  5. Estimating the absolute wealth of households.

    PubMed

    Hruschka, Daniel J; Gerkey, Drew; Hadley, Craig

    2015-07-01

    To estimate the absolute wealth of households using data from demographic and health surveys. We developed a new metric, the absolute wealth estimate, based on the rank of each surveyed household according to its material assets and the assumed shape of the distribution of wealth among surveyed households. Using data from 156 demographic and health surveys in 66 countries, we calculated absolute wealth estimates for households. We validated the method by comparing the proportion of households defined as poor using our estimates with published World Bank poverty headcounts. We also compared the accuracy of absolute versus relative wealth estimates for the prediction of anthropometric measures. The median absolute wealth estimates of 1,403,186 households were 2056 international dollars per capita (interquartile range: 723-6103). The proportion of poor households based on absolute wealth estimates were strongly correlated with World Bank estimates of populations living on less than 2.00 United States dollars per capita per day (R(2)  = 0.84). Absolute wealth estimates were better predictors of anthropometric measures than relative wealth indexes. Absolute wealth estimates provide new opportunities for comparative research to assess the effects of economic resources on health and human capital, as well as the long-term health consequences of economic change and inequality.

  6. Orion Absolute Navigation System Progress and Challenge

    NASA Technical Reports Server (NTRS)

    Holt, Greg N.; D'Souza, Christopher

    2012-01-01

    The absolute navigation design of NASA's Orion vehicle is described. It has undergone several iterations and modifications since its inception, and continues as a work-in-progress. This paper seeks to benchmark the current state of the design and some of the rationale and analysis behind it. There are specific challenges to address when preparing a timely and effective design for the Exploration Flight Test (EFT-1), while still looking ahead and providing software extensibility for future exploration missions. The primary onboard measurements in a Near-Earth or Mid-Earth environment consist of GPS pseudo-range and delta-range, but for future explorations missions the use of star-tracker and optical navigation sources need to be considered. Discussions are presented for state size and composition, processing techniques, and consider states. A presentation is given for the processing technique using the computationally stable and robust UDU formulation with an Agee-Turner Rank-One update. This allows for computational savings when dealing with many parameters which are modeled as slowly varying Gauss-Markov processes. Preliminary analysis shows up to a 50% reduction in computation versus a more traditional formulation. Several state elements are discussed and evaluated, including position, velocity, attitude, clock bias/drift, and GPS measurement biases in addition to bias, scale factor, misalignment, and non-orthogonalities of the accelerometers and gyroscopes. Another consideration is the initialization of the EKF in various scenarios. Scenarios such as single-event upset, ground command, and cold start are discussed as are strategies for whole and partial state updates as well as covariance considerations. Strategies are given for dealing with latent measurements and high-rate propagation using multi-rate architecture. The details of the rate groups and the data ow between the elements is discussed and evaluated.

  7. Estimate of ground water in storage in the Great Lakes basin, United States, 2006

    USGS Publications Warehouse

    Coon, William F.; Sheets, Rodney A.

    2006-01-01

    Hydrogeologic data from Regional Aquifer System Analyses (RASA) studies by the U.S. Geological Survey in the Great Lakes Basin, United States, during 1978-95, were compiled and used to estimate the total volume of water that is stored in the many aquifers of the basin. These studies focused on six regional aquifer systems: the Cambrian-Ordovician aquifer system in Wisconsin, Illinois, and Indiana; the Silurian- Devonian aquifers in Wisconsin, Michigan, Illinois, Indiana, and Ohio; the surficial aquifer system (aquifers of alluvial and glacial origin) found throughout the Great Lakes Basin; and the Pennsylvanian sandstone and carbonate-rock aquifers and the Mississippian sandstone aquifer in Michigan. Except for the surficial aquifers, all of these aquifer systems are capable of yielding substantial quantities of water and are not small aquifers with only local importance. Individual surficial aquifers, although small in comparison to the bedrock aquifers, collectively represent large potential sources of ground water and therefore have been treated as a regional system. Summation of ground-water volumes in the many regional aquifers of the basin indicates that about 1,340 cubic miles of water is in storage; of this, about 984 cubic miles is considered freshwater (that is, water with dissolved-solids concentration less than 1,000 mg/L). These volumes should not be interpreted as available in their entirety to meet water-supply needs; complete dewatering of any aquifer is environmentally undesirable. The amount of water that is considered available on the basis of water quality and environmental, economic, and legal constraints has not been determined. The effect of heavy pumping in the Chicago, Ill., and Milwaukee, Wis., areas, which has caused the regional ground-water divide in the Cambrian-Ordovician aquifer system to shift westward, has been included in the above estimates. This shift in the ground-water divide has increased the amount of water in storage in the

  8. Probing ground-state hole transfer between equivalent, electrochemically inaccessible states in multiporphyrin arrays using time-resolved optical spectroscopy.

    PubMed

    Song, Hee-eun; Taniguchi, Masahiko; Kirmaier, Christine; Bocian, David F; Lindsey, Jonathan S; Holten, Dewey

    2009-01-01

    A new strategy is described and implemented for determining the rates of hole-transfer between equivalent porphyrins in multiporphyrin architectures. The approach allows access to these rates between sites that are not the most easily oxidized components of the array. The specific architectures investigated with this new strategy are triads consisting of one zinc porphyrin (Zn) and two free base porphyrins (Fb). The triads employ a diphenylethyne linker (ZnFbFbU) and a phenylene linker (ZnFbFbPhi). The zinc porphyrin is selectively oxidized to produce Zn(+)FbFb, the free base porphyrins are excited to produce the excited-state mixture Zn(+)Fb*Fb and Zn(+)FbFb*, and the subsequent dynamics are monitored by ultrafast absorption spectroscopy. The system evolves by a combination of energy- and hole-transfer processes involving (adjacent and nonadjacent) zinc and free base porphyrin constituents that are complete within 100 ps of excitation; the rate constants of many of these processes are derived from prior studies of the oxidized forms of the benchmark dyads (ZnFbU and ZnFbPhi). One of the excited-state decay channels produces the metastable state ZnFbFb(+) that decays to a second metastable state ZnFb(+)Fb by the target hole-transfer process, followed by rapid hole transfer to produce the Zn(+)FbFb thermodynamic ground state of the system. The rate constant for hole transfer between the free base porphyrins in the oxidized ZnFbFb triads is found to be (0.5 ns)(-1) and (0.6 ns)(-1) across phenylene and diphenylethyne linkers, respectively. These rate constants are comparable to those recently measured, using a related but distinct strategy, for ground-state hole transfer between zinc porphyrins in oxidized ZnZnFb triads. The two complementary strategies provide unique approaches for probing hole transfer between equivalent sites in multiporphyrin arrays, with the choice of method being guided by the particular target process and the ease of synthesis of the necessary

  9. Impacts of microtopographic snow-redistribution and lateral subsurface processeson hydrologic and thermal states in an Arctic polygonal ground ecosystem

    SciTech Connect

    Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.

    Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. We analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the ACME Earth System Model (ESM) to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ALMv0-3D). Three 10-years long simulations were performed for a transect across polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SRmore » and subsurface process representation. When SR was included, model results show a better agreement (higher R 2 with lower bias and RMSE) for the observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R 2 of 0.59°C, 1.82°C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ~10 cm shallower and ~5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on active layer depths was modest with mean absolute difference of ~3 cm. Finally, our integration of three-dimensional subsurface hydrologic and thermal

  10. Impacts of microtopographic snow-redistribution and lateral subsurface processeson hydrologic and thermal states in an Arctic polygonal ground ecosystem

    DOE PAGES

    Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.; ...

    2018-01-08

    Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. We analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the ACME Earth System Model (ESM) to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ALMv0-3D). Three 10-years long simulations were performed for a transect across polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SRmore » and subsurface process representation. When SR was included, model results show a better agreement (higher R 2 with lower bias and RMSE) for the observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R 2 of 0.59°C, 1.82°C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ~10 cm shallower and ~5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on active layer depths was modest with mean absolute difference of ~3 cm. Finally, our integration of three-dimensional subsurface hydrologic and thermal

  11. Deaggregation of Probabilistic Ground Motions in the Central and Eastern United States

    USGS Publications Warehouse

    Harmsen, S.; Perkins, D.; Frankel, A.

    1999-01-01

    Probabilistic seismic hazard analysis (PSHA) is a technique for estimating the annual rate of exceedance of a specified ground motion at a site due to known and suspected earthquake sources. The relative contributions of the various sources to the total seismic hazard are determined as a function of their occurrence rates and their ground-motion potential. The separation of the exceedance contributions into bins whose base dimensions are magnitude and distance is called deaggregation. We have deaggregated the hazard analyses for the new USGS national probabilistic ground-motion hazard maps (Frankel et al., 1996). For points on a 0.2?? grid in the central and eastern United States (CEUS), we show color maps of the geographical variation of mean and modal magnitudes (M??, M??) and distances (D??, D??) for ground motions having a 2% chance of exceedance in 50 years. These maps are displayed for peak horizontal acceleration and for spectral response accelerations of 0.2, 0.3, and 1.0 sec. We tabulate M??, D??, M??, and D?? for 49 CEUS cities for 0.2- and 1.0-sec response. Thus, these maps and tables are PSHA-derived estimates of the potential earthquakes that dominate seismic hazard at short and intermediate periods in the CEUS. The contribution to hazard of the New Madrid and Charleston sources dominates over much of the CEUS; for 0.2-sec response, over 40% of the area; for 1.0-sec response, over 80% of the area. For 0.2-sec response, D?? ranges from 20 to 200 km, for 1.0 sec, 30 to 600 km. For sites influenced by New Madrid or Charleston, D is less than the distance to these sources, and M?? is less than the characteristic magnitude of these sources, because averaging takes into account the effect of smaller magnitude and closer sources. On the other hand, D?? is directly the distance to New Madrid or Charleston and M?? for 0.2- and 1.0-sec response corresponds to the dominating source over much of the CEUS. For some cities in the North Atlantic states, short

  12. Microwave Spectroscopy of Trans-Ethyl Methyl Ether in the Ground State

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kaori; Sakai, Yusuke; Tsunekawa, Shozo; Miyamoto, Taihei; Fujitake, Masaharu; Ohashi, Nobukimi

    2013-06-01

    The trans-ethyl methyl ether molecule (CH_3CH_2OCH_3) has two inequivalent methyl group internal rotors which corresponds to the two vibrational motions, ν_{28} and ν_{29}. Due to these internal rotations, a rotational transition could be split into maximum five components. The skeletal torsion (ν_{30}) is another low-lying state (ν_{30}) that interacts with the ν_{28} and ν_{29} modes. The microwave spectra of the trans-ethyl methyl ether molecule in the ν_{28} = 1, ν_{29} = 1, and ν_{30} = 1, 2 and 3 have been extensively studied by using Hougen's tunneling matrix formalism. The microwave spectroscopy in the ground state was studied by several groups. The splitting due to the ν_{28} mode (C-CH_3 internal rotation) is small in the ground state and was not fully resolved in most of the previous studied rotational transitions. In this paper, we report the results of the pulsed nozzle-jet Fourier transform microwave spectroscopy so as to measure the fully resolved spectra. The submillmeter wave spectroscopy was also carried out. Our analysis including the previously reported transitions would be useful for astronomical observations. K. Kobayashi, T. Matsui, N. Mori, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc. {269}, 242 2011. K. Kobayashi, T. Matsui, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc. {255}, 164 2009. K. Kobayashi, T. Matsui, N. Mori, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc.{251}, 301 2008. K. Kobayashi, K. Murata, S. Tsunekawa, and N. Ohashi Int. Symposium on Mol. Spectrosc., 65th Meeting TH15 2010.} M. Hayashi, and K. Kuwada J. Mol. Structure {28}, 147 1975. M. Hayashi, and M. Adachi J. Mol. Structure {78}, 53 1982. S. Tsunekawa, Y. Kinai, Y. Kondo, H. Odashima, and K. Takagi Molecules {8}, 103 2003. U. Fuchs, G. Winnewisser, P. Groner, F. C. De Lucia, and E. Herbst Astrophys. J. Suppl. {144}, 277 2003.

  13. Symmetry-breaking dynamics of the finite-size Lipkin-Meshkov-Glick model near ground state

    NASA Astrophysics Data System (ADS)

    Huang, Yi; Li, Tongcang; Yin, Zhang-qi

    2018-01-01

    We study the dynamics of the Lipkin-Meshkov-Glick (LMG) model with a finite number of spins. In the thermodynamic limit, the ground state of the LMG model with an isotropic Hamiltonian in the broken phase breaks to a mean-field ground state with a certain direction. However, when the spin number N is finite, the exact ground state is always unique and is not given by a classical mean-field ground state. Here, we prove that when N is large but finite, through a tiny external perturbation, a localized state which is close to a mean-field ground state can be prepared, which mimics spontaneous symmetry breaking. Also, we find the localized in-plane spin polarization oscillates with two different frequencies ˜O (1 /N ) , and the lifetime of the localized state is long enough to exhibit this oscillation. We numerically test the analytical results and find that they agree very well with each other. Finally, we link the phenomena to quantum time crystals and time quasicrystals.

  14. Nature of the insulating ground state of the 5d postperovskite CaIrO 3

    DOE PAGES

    Kim, Sun -Woo; Liu, Chen; Kim, Hyun -Jung; ...

    2015-08-26

    In this study, the insulating ground state of the 5d transition metal oxide CaIrO 3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t 2g states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir 4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t 2g states to open an insulating gap.more » These results indicate that CaIrO 3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other.« less

  15. Spectroscopic and structural investigation for the ground and excited states of CaNa+ molecular ion

    NASA Astrophysics Data System (ADS)

    Jellali, Soulef; Habli, Héla; Mejrissi, Leila; Hamdi, Rafika; Oujia, Brahim; Xavier Gadéa, Florent

    2018-04-01

    In the current theoretical study, we investigated several electronic states correlated with the {Ca+Na+} and {Ca++Na} asymptotic limits of different symmetries (Σ+, Π, Δ). Our calculations were based on ab intio method using semi-empirical pseudo-potential theory of both cores Na+ and Ca2+ and Full Configuration Interaction (FCI). Hence, we computed the adiabatic potential energy curves (PECs) and vibrational levels of the ground state along with several higher states of (CaNa)+ molecular ion. From these curves, we extracted all related spectroscopic parameters (De, D0, Te, Re, Be, ωe and ωeχe). Dipolar properties of (CaNa)+ such as Permanent and Transition Dipole Moments (PDM, TDM) were determined and analyzed. Numerous Avoided Crossings (ACs) were detected in PECs and their reflections were clearly observed in PDM and TDM functions. The strong interactions could lead to significant charge or excitation transfer for atom-ion collisions in the diverse charge or excited states.

  16. Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

    NASA Astrophysics Data System (ADS)

    Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

    2018-04-01

    The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

  17. High-field magnetoconductance in La-Sr manganites of FM and AFM ground states

    NASA Astrophysics Data System (ADS)

    Jirák, Zdeněk; Kaman, Ondřej; Knížek, Karel; Levinský, Petr; Míšek, Martin; Veverka, Pavel; Hejtmánek, Jiří

    2018-06-01

    Large-grain La1-xSrxMnO3 ceramic samples of compositions x = 0.45 and 0.55, representing the ferromagnetic (FM) and A-type antiferromagnetic (AFM) ground states, were produced via classical sintering at 1500 °C of cold-pressed sol-gel prepared single-phase nanoparticles. Using the same precursors, nanogranular forms of both manganite ceramics were prepared by fast spark plasma sintering at low temperature of 900 °C, which limits the growth of crystal grains. The magnetotransport of both the bulk and nanogranular forms was investigated in a broad range of magnetic fields up to 130 kOe and analyzed on the basis of detailed magnetic measurements. Both the large-grain and nanogranular systems with x = 0.45, possessing a pure FM state with similar Curie tempereature TC ≈ 345 K), show nearly the same conductivity enhancement in external fields when expressed relatively to the zero-field values. This positive magnetoconductance (MC) can be separated into two terms: (i) the hysteretic low-field MC that reflects the field-induced orientation of magnetic moments of individual grains, and (ii) the high-field MC that depends linearly on external field. In the case of large-grain ceramics with x = 0.55, a partially ordered FM state formed below TC = 264 K is replaced by pure A-type AFM ground state below 204 K. This A-type AFM state is characterized by positive magnetoconductance that is essentially of quadratic dependence on external field in the investigated range up to 130 kOe. On contrary, the nanogranular product with x = 0.55 exhibits a mixed FM/AFM state at low temperatures, and, as a consequence, its magnetotransport combines the features of FM and A-type AFM systems, in which the quadratic term is much enhanced and clearly dominates at high fields. For interpretation of observed behaviors, the theory of grain-boundary tunneling is revisited.

  18. Decadal-scale changes of pesticides in ground water of the United States, 1993-2003.

    PubMed

    Bexfield, Laura M

    2008-01-01

    Pesticide data for ground water sampled across the United States between 1993-1995 and 2001-2003 by the U.S. Geological Survey National Water-Quality Assessment Program were evaluated for trends in detection frequency and concentration. The data analysis evaluated samples collected from a total of 362 wells located in 12 local well networks characterizing shallow ground water in agricultural areas and six local well networks characterizing the drinking water resource in areas of variable land use. Each well network was sampled once during 1993-1995 and once during 2001-2003. The networks provide an overview of conditions across a wide range of hydrogeologic settings and in major agricultural areas that vary in dominant crop type and pesticide use. Of about 80 pesticide compounds analyzed, only six compounds were detected in ground water from at least 10 wells during both sampling events. These compounds were the triazine herbicides atrazine, simazine, and prometon; the acetanilide herbicide metolachlor; the urea herbicide tebuthiuron; and an atrazine degradate, deethylatrazine (DEA). Observed concentrations of these compounds generally were < 0.12 microg L(-1). At individual wells, changes in concentrations typically were < 0.02 microg L(-1). Data analysis incorporated adjustments for changes in laboratory recovery as assessed through laboratory spikes. In wells yielding detectable concentrations of atrazine, DEA, and prometon, concentrations were significantly lower (alpha = 0.1) in 2001-2003 than in 1993-1995, whereas detection frequency of these compounds did not change significantly. Trends in atrazine concentrations at shallow wells in agricultural areas were found to be consistent overall with recent atrazine use data.

  19. Factors influencing ground-water recharge in the eastern United States

    USGS Publications Warehouse

    Nolan, B.T.; Healy, R.W.; Taber, P.E.; Perkins, K.; Hitt, K.J.; Wolock, D.M.

    2007-01-01

    Ground-water recharge estimates for selected locations in the eastern half of the United States were obtained by Darcian and chloride-tracer methods and compared using statistical analyses. Recharge estimates derived from unsaturated-zone (RUZC) and saturated-zone (RSZC) chloride mass balance methods are less variable (interquartile ranges or IQRs are 9.5 and 16.1 cm/yr, respectively) and more strongly correlated with climatic, hydrologic, land use, and sediment variables than Darcian estimates (IQR = 22.8 cm/yr). The unit-gradient Darcian estimates are a nonlinear function of moisture content and also reflect the uncertainty of pedotransfer functions used to estimate hydraulic parameters. Significance level is 0.3. Estimates of RSZC were evaluated using analysis of variance, multiple comparison tests, and an exploratory nonlinear regression (NLR) model. Recharge generally is greater in coastal plain surficial aquifers, fractured crystalline rocks, and carbonate rocks, or in areas with high sand content. Westernmost portions of the study area have low recharge, receive somewhat less precipitation, and contain fine-grained sediment. The NLR model simulates water input to the land surface followed by transport to ground water, depending on factors that either promote or inhibit water infiltration. The model explains a moderate amount of variation in the data set (coefficient of determination = 0.61). Model sensitivity analysis indicates that mean annual runoff, air temperature, and precipitation, and an index of ground-water exfiltration potential most influence estimates of recharge at sampled sites in the region. Soil characteristics and land use have less influence on the recharge estimates, but nonetheless are significant in the NLR model. ?? 2006 Elsevier B.V. All rights reserved.

  20. Decadal-scale changes of pesticides in ground water of the United States, 1993-2003

    USGS Publications Warehouse

    Bexfield, L.M.

    2008-01-01

    Pesticide data for ground water sampled across the United States between 1993-1995 and 2001-2003 by the U.S. Geological Survey National Water-Quality Assessment Program were evaluated for trends in detection frequency and concentration. The data analysis evaluated samples collected from a total of 362 wells located in 12 local well networks characterizing shallow ground water in agricultural areas and six local well networks characterizing the drinking water resource in areas of variable land use. Each well network was sampled once during 1993-1995 and once during 2001-2003. The networks provide an overview of conditions across a wide range of hydrogeologic settings and in major agricultural areas that vary in dominant crop type and pesticide use. Of about 80 pesticide compounds analyzed, only six compounds were detected in ground water from at least 10 wells during both sampling events. These compounds were the triazine herbicides atrazine, simazine, and prometon; the acetanilide herbicide metolachlor; the urea herbicide tebuthiuron; and an atrazine degradate, deethylatrazine (DEA). Observed concentrations of these compounds generally were <0.12 ??g L-1. At individual wells, changes in concentrations typically were <0.02 ??g L-1. Data analysis incorporated adjustments for changes in laboratory recovery as assessed through laboratory spikes. In wells yielding detectable concentrations of atrazine, DEA, and prometon, concentrations were significantly lower (?? = 0.1) in 2001-2003 than in 1993-1995, whereas detection frequency of these compounds did not change significantly. Trends in atrazine concentrations at shallow wells in agricultural areas were found to be consistent overall with recent atrazine use data. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  1. Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole

    NASA Astrophysics Data System (ADS)

    Li, Shaohong L.; Truhlar, Donald G.

    2017-02-01

    Analytic potential energy surfaces (PESs) and state couplings of the ground and two lowest singlet excited states of thioanisole (C6H5SCH3) are constructed in a diabatic representation based on electronic structure calculations including dynamic correlation. They cover all 42 internal degrees of freedom and a wide range of geometries including the Franck-Condon region and the reaction valley along the breaking S-CH3 bond with the full ranges of the torsion angles. The parameters in the PESs and couplings are fitted to the results of smooth diabatic electronic structure calculations including dynamic electron correlation by the extended multi-configurational quasi-degenerate perturbation theory method for the adiabatic state energies followed by diabatization by the fourfold way. The fit is accomplished by the anchor points reactive potential method with two reactive coordinates and 40 nonreactive degrees of freedom, where the anchor-point force fields are obtained with a locally modified version of the QuickFF package. The PESs and couplings are suitable for study of the topography of the trilayer potential energy landscape and for electronically nonadiabatic molecular dynamics simulations of the photodissociation of the S-CH3 bond.

  2. Ground-state phase diagram in the Kugel-Khomskii model with finite spin-orbit interactions

    NASA Astrophysics Data System (ADS)

    Koga, Akihisa; Nakauchi, Shiryu; Nasu, Joji

    2018-05-01

    We study ground-state properties in the Kugel-Khomskii model on the two-dimensional honeycomb lattice. Using the cluster mean-field approximations, we deal with the exchange and spin-orbit couplings on an equal footing. We then discuss the stability of the ferromagnetically ordered states against the nonmagnetic state, which is adiabatically connected to the quantum spin liquid state realized in a strong spin-orbit coupling limit.

  3. 20 CFR 404.1205 - Absolute coverage groups.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 20 Employees' Benefits 2 2014-04-01 2014-04-01 false Absolute coverage groups. 404.1205 Section... INSURANCE (1950- ) Coverage of Employees of State and Local Governments What Groups of Employees May Be Covered § 404.1205 Absolute coverage groups. (a) General. An absolute coverage group is a permanent...

  4. 20 CFR 404.1205 - Absolute coverage groups.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 20 Employees' Benefits 2 2013-04-01 2013-04-01 false Absolute coverage groups. 404.1205 Section... INSURANCE (1950- ) Coverage of Employees of State and Local Governments What Groups of Employees May Be Covered § 404.1205 Absolute coverage groups. (a) General. An absolute coverage group is a permanent...

  5. 20 CFR 404.1205 - Absolute coverage groups.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 20 Employees' Benefits 2 2012-04-01 2012-04-01 false Absolute coverage groups. 404.1205 Section... INSURANCE (1950- ) Coverage of Employees of State and Local Governments What Groups of Employees May Be Covered § 404.1205 Absolute coverage groups. (a) General. An absolute coverage group is a permanent...

  6. XUV frequency-comb metrology on the ground state of helium

    SciTech Connect

    Kandula, Dominik Z.; Gohle, Christoph; Pinkert, Tjeerd J.

    2011-12-15

    The operation of a frequency comb at extreme ultraviolet (xuv) wavelengths based on pairwise amplification and nonlinear upconversion to the 15th harmonic of pulses from a frequency-comb laser in the near-infrared range is reported. It is experimentally demonstrated that the resulting spectrum at 51 nm is fully phase coherent and can be applied to precision metrology. The pulses are used in a scheme of direct-frequency-comb excitation of helium atoms from the ground state to the 1s4p and 1s5p {sup 1} P{sub 1} states. Laser ionization by auxiliary 1064 nm pulses is used to detect the excited-state population, resulting in amore » cosine-like signal as a function of the repetition rate of the frequency comb with a modulation contrast of up to 55%. Analysis of the visibility of this comb structure, thereby using the helium atom as a precision phase ruler, yields an estimated timing jitter between the two upconverted-comb laser pulses of 50 attoseconds, which is equivalent to a phase jitter of 0.38 (6) cycles in the xuv at 51 nm. This sets a quantitative figure of merit for the operation of the xuv comb and indicates that extension to even shorter wavelengths should be feasible. The helium metrology investigation results in transition frequencies of 5 740 806 993 (10) and 5 814 248 672 (6) MHz for excitation of the 1s4p and 1s5p {sup 1} P{sub 1} states, respectively. This constitutes an important frequency measurement in the xuv, attaining high accuracy in this windowless part of the electromagnetic spectrum. From the measured transition frequencies an eight-fold-improved {sup 4}He ionization energy of 5 945 204 212 (6) MHz is derived. Also, a new value for the {sup 4}He ground-state Lamb shift is found of 41 247 (6) MHz. This experimental value is in agreement with recent theoretical calculations up to order m{alpha}{sup 6} and m{sup 2}/M{alpha}{sup 5}, but with a six-times-higher precision, therewith providing a stringent test of quantum electrodynamics in bound

  7. [The sanitary and hygienic state of solid garbage burial grounds in the stages of a life cycle].

    PubMed

    Zomarev, A M; Vaĭsman, Ia I; Zaĭtseva, T A; Glushankova, I S

    2010-01-01

    The purpose of the study was to assess the sanitary-and-hygienic state of solid garbage (SG) burial grounds in the Perm Territory in different stage of a life cycle. This paper presents the results of the study of deposited waste, forming dump soil, and SG ground emissions by general sanitary and sanitary-microbiological parameters and their effect on environmental objects. The performed studies of the sanitary-and-hygienic situation on some grounds of the Perm Territory suggest that there is a need for setting up a system for sanitary-and-monitoring of SG ground and for elaborating engineering, organizational, and prophylactic measures to assure the sanitary-and-hygienic safety of objects and to control the quality and quantity of waste to be buried and the currents of emissions (ground body degassing, filtrating sewage drainage and purification).

  8. Untangling complex networks: risk minimization in financial markets through accessible spin glass ground states

    PubMed Central

    Lisewski, Andreas Martin; Lichtarge, Olivier

    2010-01-01

    Recurrent international financial crises inflict significant damage to societies and stress the need for mechanisms or strategies to control risk and tamper market uncertainties. Unfortunately, the complex network of market interactions often confounds rational approaches to optimize financial risks. Here we show that investors can overcome this complexity and globally minimize risk in portfolio models for any given expected return, provided the relative margin requirement remains below a critical, empirically measurable value. In practice, for markets with centrally regulated margin requirements, a rational stabilization strategy would be keeping margins small enough. This result follows from ground states of the random field spin glass Ising model that can be calculated exactly through convex optimization when relative spin coupling is limited by the norm of the network's Laplacian matrix. In that regime, this novel approach is robust to noise in empirical data and may be also broadly relevant to complex networks with frustrated interactions that are studied throughout scientific fields. PMID:20625477

  9. Spin-orbit coupling controlled ground state in Sr 2 ScOsO 6

    DOE PAGES

    Taylor, A. E.; Morrow, R.; Fishman, R. S.; ...

    2016-06-27

    In this paper, we report neutron scattering experiments which reveal a large spin gap in the magnetic excitation spectrum of weakly-monoclinic double perovskite Sr 2ScOsO 6. The spin gap is demonstrative of appreciable spin-orbit-induced anisotropy, despite nominally orbitally-quenched 5d 3Os 5+ ions. The system is successfully modeled including nearest neighbor interactions in a Heisenberg Hamiltonian with exchange anisotropy. We find that the presence of the spin-orbit-induced anisotropy is essential for the realization of the type I antiferromagnetic ground state. Finally, this demonstrates that physics beyond the LS or JJ coupling limits plays an active role in determining the collective propertiesmore » of 4d 3 and 5d 3 systems and that theoretical treatments must include spin-orbit coupling.« less

  10. Ground-state hyperfine splitting for Rb, Cs, Fr, Ba+, and Ra+

    NASA Astrophysics Data System (ADS)

    Ginges, J. S. M.; Volotka, A. V.; Fritzsche, S.

    2017-12-01

    We have systematically investigated the ground-state hyperfine structure for alkali-metal atoms 87Rb,133Cs, and 211Fr and alkali-metal-like ions +135Ba and +225Ra, which are of particular interest for parity violation studies. The quantum electrodynamic one-loop radiative corrections have been rigorously evaluated within an extended Furry picture employing core-Hartree and Kohn-Sham atomic potentials. Moreover, the effect of the nuclear magnetization distribution on the hyperfine structure intervals has been studied in detail and its uncertainty has been estimated. Finally, the theoretical description of the hyperfine structure has been completed with full many-body calculations performed in the all-orders correlation potential method.

  11. Ground states of linear rotor chains via the density matrix renormalization group

    NASA Astrophysics Data System (ADS)

    Iouchtchenko, Dmitri; Roy, Pierre-Nicholas

    2018-04-01

    In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting from the placement of dipolar linear rotors in one-dimensional lattices at low temperature has a transition between ordered and disordered phases. We use the density matrix renormalization group (DMRG) to compute ground states of chains of up to 100 rotors and provide further evidence of the phase transition in the form of a diverging entanglement entropy. We also propose two methods and present some first steps toward rotational spectra of such molecular assemblies using DMRG. The present work showcases the power of DMRG in this new context of interacting molecular rotors and opens the door to the study of fundamental questions regarding criticality in systems with continuous degrees of freedom.

  12. Analytical model of ground-state lasing phenomenon in broadband semiconductor quantum dot lasers

    NASA Astrophysics Data System (ADS)

    Korenev, Vladimir V.; Savelyev, Artem V.; Zhukov, Alexey E.; Omelchenko, Alexander V.; Maximov, Mikhail V.

    2013-05-01

    We introduce an analytical approach to the description of broadband lasing spectra of semiconductor quantum dot lasers emitting via ground-state optical transitions of quantum dots. The explicit analytical expressions describing the shape and the width of lasing spectra as well as their temperature and injection current dependences are obtained in the case of low homogeneous broadening. It is shown that in this case these dependences are determined by only two dimensionless parameters, which are the dispersion of the distribution of QDs over the energy normalized to the temperature and loss-to-maximum gain ratio. The possibility of optimization of laser's active region size and structure by using the intentionally introduced disorder is also carefully considered.

  13. Unexpected Ground-State Structure and Mechanical Properties of Ir₂Zr Intermetallic Compound.

    PubMed

    Zhang, Meiguang; Cao, Rui; Zhao, Meijie; Du, Juan; Cheng, Ke

    2018-01-10

    Using an unbiased structure searching method, a new orthorhombic Cmmm structure consisting of ZrIr 12 polyhedron building blocks is predicted to be the thermodynamic ground-state of stoichiometric intermetallic Ir₂Zr in Ir-Zr systems. The formation enthalpy of the Cmmm structure is considerably lower than that of the previously synthesized Cu₂Mg-type phase, by ~107 meV/atom, as demonstrated by the calculation of formation enthalpy. Meanwhile, the phonon dispersion calculations further confirmed the dynamical stability of Cmmm phase under ambient conditions. The mechanical properties, including elastic stability, rigidity, and incompressibility, as well as the elastic anisotropy of Cmmm -Ir₂Zr intermetallic, have thus been fully determined. It is found that the predicted Cmmm phase exhibits nearly elastic isotropic and great resistance to shear deformations within the (100) crystal plane. Evidence of atomic bonding related to the structural stability for Ir₂Zr were manifested by calculations of the electronic structures.

  14. Local convertibility of the ground state of the perturbed toric code

    NASA Astrophysics Data System (ADS)

    Santra, Siddhartha; Hamma, Alioscia; Cincio, Lukasz; Subasi, Yigit; Zanardi, Paolo; Amico, Luigi

    2014-12-01

    We present analytical and numerical studies of the behavior of the α -Renyi entropies in the toric code in presence of several types of perturbations aimed at studying the simulability of these perturbations to the parent Hamiltonian using local operations and classical communications (LOCC)—a property called local convertibility. In particular, the derivatives, with respect to the perturbation parameter, present different signs for different values of α within the topological phase. From the information-theoretic point of view, this means that such ground states cannot be continuously deformed within the topological phase by means of catalyst assisted local operations and classical communications (LOCC). Such LOCC differential convertibility is on the other hand always possible in the trivial disordered phase. The non-LOCC convertibility is remarkable because it can be computed on a system whose size is independent of correlation length. This method can therefore constitute an experimentally feasible witness of topological order.

  15. An Investigation for Ground State Features of Some Structural Fusion Materials

    NASA Astrophysics Data System (ADS)

    Aytekin, H.; Tel, E.; Baldik, R.; Aydin, A.

    2011-02-01

    Environmental concerns associated with fossil fuels are creating increased interest in alternative non-fossil energy sources. Nuclear fusion can be one of the most attractive sources of energy from the viewpoint of safety and minimal environmental impact. When considered in all energy systems, the requirements for performance of structural materials in a fusion reactor first wall, blanket or diverter, are arguably more demanding or difficult than for other energy system. The development of fusion materials for the safety of fusion power systems and understanding nuclear properties is important. In this paper, ground state properties for some structural fusion materials as 27Al, 51V, 52Cr, 55Mn, and 56Fe are investigated using Skyrme-Hartree-Fock method. The obtained results have been discussed and compared with the available experimental data.

  16. Long-Range Adiabatic Corrections to the Ground Molecular State of Alkali-Metal Dimers.

    NASA Astrophysics Data System (ADS)

    Marinescu, M.; Dalgarno, A.

    1997-04-01

    The structure of the long-range limit of the diagonal adiabatic corrections to the ground molecular state of diatomic molecules, may be expressed as a series of inverse powers of internuclear distance, R. The coefficients of this expansion are proportional to the inverse of the nuclear mass. Thus, they may be interpreted as a nuclear mass-dependent corrections to the dispersion coefficients. Using perturbation theory we have calculated the long-range coefficients of the diagonal adiabatic corrections up to the order of R-10. The final expressions are in terms of integrals over imaginary frequencies of products of atomic matrix elements involving Green's functions of complex energy. Thus, in our approach the molecular problem is reduced to an atomic one. Numerical evaluations have been done for all alkali-metal dimers. We acknowledge the support of the U.S. Dept. of Energy.

  17. The ground state magnetic moment and susceptibility of a two electron Gaussian quantum dot

    NASA Astrophysics Data System (ADS)

    Boda, Aalu; Chatterjee, Ashok

    2018-04-01

    The problem of two interacting electrons moving in a two-dimensional semiconductor quantum dot with Gaussian confinement under the influence of an external magnetic field is studied by using a method of numerical diagonalization of the Hamiltonian matrix with in the effective-mass approximation. The energy spectrum is calculated as a function of the magnetic field. We find the ground state magnetic moment and the magnetic susceptibility show zero temperature diamagnetic peaks due to exchange induced singlet-triplet oscillations. The position and the number of these peaks depend on the size of the quantum dot and also strength of the electro-electron interaction. The theory is applied to a GaAs quantum dot.

  18. Spin-orbit coupling controlled ground state in Sr 2 ScOsO 6

    SciTech Connect

    Taylor, A. E.; Morrow, R.; Fishman, R. S.

    In this paper, we report neutron scattering experiments which reveal a large spin gap in the magnetic excitation spectrum of weakly-monoclinic double perovskite Sr 2ScOsO 6. The spin gap is demonstrative of appreciable spin-orbit-induced anisotropy, despite nominally orbitally-quenched 5d 3Os 5+ ions. The system is successfully modeled including nearest neighbor interactions in a Heisenberg Hamiltonian with exchange anisotropy. We find that the presence of the spin-orbit-induced anisotropy is essential for the realization of the type I antiferromagnetic ground state. Finally, this demonstrates that physics beyond the LS or JJ coupling limits plays an active role in determining the collective propertiesmore » of 4d 3 and 5d 3 systems and that theoretical treatments must include spin-orbit coupling.« less

  19. Untangling complex networks: Risk minimization in financial markets through accessible spin glass ground states

    NASA Astrophysics Data System (ADS)

    Lisewski, Andreas Martin; Lichtarge, Olivier

    2010-08-01

    Recurrent international financial crises inflict significant damage to societies and stress the need for mechanisms or strategies to control risk and tamper market uncertainties. Unfortunately, the complex network of market interactions often confounds rational approaches to optimize financial risks. Here we show that investors can overcome this complexity and globally minimize risk in portfolio models for any given expected return, provided the margin requirement remains below a critical, empirically measurable value. In practice, for markets with centrally regulated margin requirements, a rational stabilization strategy would be keeping margins small enough. This result follows from ground states of the random field spin glass Ising model that can be calculated exactly through convex optimization when relative spin coupling is limited by the norm of the network’s Laplacian matrix. In that regime, this novel approach is robust to noise in empirical data and may be also broadly relevant to complex networks with frustrated interactions that are studied throughout scientific fields.

  20. Structural expansions for the ground state energy of a simple metal

    NASA Technical Reports Server (NTRS)

    Hammerberg, J.; Ashcroft, N. W.

    1973-01-01

    A structural expansion for the static ground state energy of a simple metal is derived. An approach based on single particle band structure which treats the electron gas as a non-linear dielectric is presented, along with a more general many particle analysis using finite temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi surface distortions, and chemical potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron ion interaction, and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero temperature thermodynamic functions of atomic hydrogen are reported.

  1. A new orthorhombic ground-state phase and mechanical strengths of ternary B2CO compound

    NASA Astrophysics Data System (ADS)

    Yan, Haiyan; Zhang, Meiguang; Wei, Qun; Zhang, Yun

    2018-06-01

    A novel orthorhombic oI16 structure, formed by strong covalent sp2-sp3 Bsbnd C and Bsbnd O bonds, was identified as to be the thermodynamic ground-state phase for B2CO compound by using an unbiased structure searching method. The energy of this new oI16 phase is considerably lower than all those of previously proposed candidates, and it is dynamically stable at atmosphere pressure through the phonon calculations. The evidences of the indirect semiconducting and chemical bonding nature are manifested by the electronic structure calculations and AIM analyses. The pronounced elastic anisotropy of oI16 structure has been revealed by the calculated distributions of elastic moduli along different crystal orientations. The calculated stress-strain relations of oI16 structure disclose its common hard nature but with an extended ductility.

  2. Prediction of new ground-state crystal structure of T a2O5

    NASA Astrophysics Data System (ADS)

    Yang, Yong; Kawazoe, Yoshiyuki

    2018-03-01

    Tantalum pentoxide (T a2O5 ) is a wide-gap semiconductor which has important technological applications. Despite the enormous efforts from both experimental and theoretical studies, the ground-state crystal structure of T a2O5 is not yet uniquely determined. Based on first-principles calculations in combination with evolutionary algorithm, we identify a triclinic phase of T a2O5 , which is energetically much more stable than any phases or structural models reported previously. Characterization of the static and dynamical properties of the phase reveals the common features shared with previous metastable phases of T a2O5 . In particular, we show that the d spacing of ˜3.8 Å found in the x-ray diffraction patterns of many previous experimental works is actually the radius of the second Ta-Ta coordination shell as defined by radial distribution functions.

  3. Further investigation of g factors for the lead monofluoride ground state

    NASA Astrophysics Data System (ADS)

    Skripnikov, L. V.; Petrov, A. N.; Titov, A. V.; Mawhorter, R. J.; Baum, A. L.; Sears, T. J.; Grabow, J.-U.

    2015-09-01

    We report the results of our theoretical study and analysis of earlier experimental data for the g -factor tensor components of the ground 2Π1 /2 state of the free PbF radical. The values were obtained both within the relativistic coupled-cluster method combined with the generalized relativistic effective core potential approach and with our fit of the experimental data from [R. J. Mawhorter, B. S. Murphy, A. L. Baum, T. J. Sears, T. Yang, P. M. Rupasinghe, C. P. McRaven, N. E. Shafer-Ray, L. D. Alphei, and J.-U. Grabow, Phys. Rev. A 84, 022508 (2011), 10.1103/PhysRevA.84.022508; A. L. Baum, B.A. thesis, Pomona College, 2011]. The obtained results agree very well with each other but contradict the previous fit performed in the cited works. Our final prediction for g factors is G∥=0.081 (5 ) ,G⊥=-0.27 (1 ) .

  4. Efficient Raman sideband cooling of trapped ions to their motional ground state

    NASA Astrophysics Data System (ADS)

    Che, H.; Deng, K.; Xu, Z. T.; Yuan, W. H.; Zhang, J.; Lu, Z. H.

    2017-07-01

    Efficient cooling of trapped ions is a prerequisite for various applications of the ions in precision spectroscopy, quantum information, and coherence control. Raman sideband cooling is an effective method to cool the ions to their motional ground state. We investigate both numerically and experimentally the optimization of Raman sideband cooling strategies and propose an efficient one, which can simplify the experimental setup as well as reduce the number of cooling pulses. Several cooling schemes are tested and compared through numerical simulations. The simulation result shows that the fixed-width pulses and varied-width pulses have almost the same efficiency for both the first-order and the second-order Raman sideband cooling. The optimized strategy is verified experimentally. A single 25Mg+ ion is trapped in a linear Paul trap and Raman sideband cooled, and the achieved average vibrational quantum numbers under different cooling strategies are evaluated. A good agreement between the experimental result and the simulation result is obtained.

  5. Ground state properties of 3d metals from self-consistent GW approach

    DOE PAGES

    Kutepov, Andrey L.

    2017-10-06

    The self consistent GW approach (scGW) has been applied to calculate the ground state properties (equilibrium Wigner–Seitz radius S WZ and bulk modulus B) of 3d transition metals Sc, Ti, V, Fe, Co, Ni, and Cu. The approach systematically underestimates S WZ with average relative deviation from the experimental data of about 1% and it overestimates the calculated bulk modulus with relative error of about 25%. We show that scGW is superior in accuracy as compared to the local density approximation but it is less accurate than the generalized gradient approach for the materials studied. If compared to the randommore » phase approximation, scGW is slightly less accurate, but its error for 3d metals looks more systematic. Lastly, the systematic nature of the deviation from the experimental data suggests that the next order of the perturbation theory should allow one to reduce the error.« less

  6. Magnetic Ground State Stabilized by Three-Site Interactions: Fe /Rh (111 )

    NASA Astrophysics Data System (ADS)

    Krönlein, Andreas; Schmitt, Martin; Hoffmann, Markus; Kemmer, Jeannette; Seubert, Nicolai; Vogt, Matthias; Küspert, Julia; Böhme, Markus; Alonazi, Bandar; Kügel, Jens; Albrithen, Hamad A.; Bode, Matthias; Bihlmayer, Gustav; Blügel, Stefan

    2018-05-01

    We report the direct observation of a theoretically predicted magnetic ground state in a monolayer Fe on Rh(111), which is referred to as an up-up-down-down (↑↑↓↓) double-row-wise antiferromagnetic spin structure, using spin-polarized scanning tunneling microscopy. This exotic phase, which exists in three orientational domains, is revealed by experiments with magnetic probe tips performed in external magnetic fields. It is shown that a hitherto unconsidered four-spin-three-site beyond-Heisenberg interaction distinctly contributes to the spin coupling of atoms with S ≥1 spins. The observation of the ↑↑↓↓ order substantiates the presence of higher-order, in particular, three-site interactions, in thin magnetic films of itinerant magnets.

  7. Ground state properties of 3d metals from self-consistent GW approach

    SciTech Connect

    Kutepov, Andrey L.

    The self consistent GW approach (scGW) has been applied to calculate the ground state properties (equilibrium Wigner–Seitz radius S WZ and bulk modulus B) of 3d transition metals Sc, Ti, V, Fe, Co, Ni, and Cu. The approach systematically underestimates S WZ with average relative deviation from the experimental data of about 1% and it overestimates the calculated bulk modulus with relative error of about 25%. We show that scGW is superior in accuracy as compared to the local density approximation but it is less accurate than the generalized gradient approach for the materials studied. If compared to the randommore » phase approximation, scGW is slightly less accurate, but its error for 3d metals looks more systematic. Lastly, the systematic nature of the deviation from the experimental data suggests that the next order of the perturbation theory should allow one to reduce the error.« less

  8. A ground-based memory state tracker for satellite on-board computer memory

    NASA Technical Reports Server (NTRS)

    Quan, Alan; Angelino, Robert; Hill, Michael; Schwuttke, Ursula; Hervias, Felipe

    1993-01-01

    The TOPEX/POSEIDON satellite, currently in Earth orbit, will use radar altimetry to measure sea surface height over 90 percent of the world's ice-free oceans. In combination with a precise determination of the spacecraft orbit, the altimetry data will provide maps of ocean topography, which will be used to calculate the speed and direction of ocean currents worldwide. NASA's Jet Propulsion Laboratory (JPL) has primary responsibility for mission operations for TOPEX/POSEIDON. Software applications have been developed to automate mission operations tasks. This paper describes one of these applications, the Memory State Tracker, which allows the ground analyst to examine and track the contents of satellite on-board computer memory quickly and efficiently, in a human-readable format, without having to receive the data directly from the spacecraft. This process is accomplished by maintaining a groundbased mirror-image of spacecraft On-board Computer memory.

  9. ELECTRONIC STRUCTURE FOR THE GROUND STATE OF T1H FROM RELATIVISTIC MULTICONFIGURATION SCF CALCULATIONS

    SciTech Connect

    Christiansen, P.A.; Pitzer, K.S.

    The dissociation curve for the ground state of TlH was computed using a relativistic {omega}-{omega} coupling formalism. The relativistic effects represented by the Dirac equation were introduced using effective potentials generated from atomic Dirac-Fock wave functions using a generalization of the improved effective potential formulation of Christiansen, Lee, and Pitzer. The multiconfiguration SCF treatment used is a generalization of the two-component molecular spinor formalism of Lee, Ermler, and Pitzer. Using a five configuration wave function we were able to obtain approximately 85% of the experimental dissociation energy. Our computations indicate that the bond is principally sigma in form, despite themore » large spin-orbit splitting in atomic thallium. Furthermore the bond appears to be slightly ionic (Tl{sup +}H{sup -}) with about 0.3 extra electron charge on the hydrogen.« less

  10. Electronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations

    SciTech Connect

    Christiansen, P.A.; Pitzer, K.S.

    The dissociation curve for the ground state of TlH was computed using a relativistic ..omega..--..omega.. coupling formalism. The relativistic effects represented by the Dirac equation were introduced using effective potentials generated from atomic Dirac--Fock wave functions using a generalization of the improved effective potential formulation of Christiansen, Lee, and Pitzer. The multiconfiguration SCF treatment used is a generalization of the two-component molecular spinor formalism of Lee, Ermler, and Pitzer. Using a five configuration wave function we were able to obtain approximately 85% of the experimental dissociation energy. Our computations indicate that the bond is principally sigma in form, despite themore » large spin--orbit splitting in atomic thallium. Furthermore the bond appears to be slightly ionic (Tl/sup +/H/sup -/) with about 0.3 extra electron charge on the hydrogen.« less

  11. Role of entropy in the ground state formation of frustrated systems

    NASA Astrophysics Data System (ADS)

    Sereni, Julian G.

    2018-05-01

    The absence of magnetic order in Rare Earth-based frustrated compounds allows to recognize the action of the third law of thermodynamics in the low temperature behavior of those systems. One of the most relevant findings is the appearance of a coincident specific heat Cm / T|T→0 ≈ 7 J /molK2 'plateau' in six Yb systems. This characteristic feature occurs after a systematic modification of the thermal trajectory of their entropies Sm (T) in the range of a few hundred milikelvin degrees. Such behavior is explained by the formation of an entropy-bottleneck imposed by the third law constraint (Sm|T→0 ≥ 0), that drives the system into alternative ground states. Based in these finding, three possible approaches to the Sm|T→0 limit observed in real systems are analyzed in terms of the ∂2Sm / ∂T2 dependencies.

  12. Untangling complex networks: risk minimization in financial markets through accessible spin glass ground states.

    PubMed

    Lisewski, Andreas Martin; Lichtarge, Olivier

    2010-08-15

    Recurrent international financial crises inflict significant damage to societies and stress the need for mechanisms or strategies to control risk and tamper market uncertainties. Unfortunately, the complex network of market interactions often confounds rational approaches to optimize financial risks. Here we show that investors can overcome this complexity and globally minimize risk in portfolio models for any given expected return, provided the relative margin requirement remains below a critical, empirically measurable value. In practice, for markets with centrally regulated margin requirements, a rational stabilization strategy would be keeping margins small enough. This result follows from ground states of the random field spin glass Ising model that can be calculated exactly through convex optimization when relative spin coupling is limited by the norm of the network's Laplacian matrix. In that regime, this novel approach is robust to noise in empirical data and may be also broadly relevant to complex networks with frustrated interactions that are studied throughout scientific fields.

  13. Ground-state and pairing-vibrational bands with equal quadrupole collectivity in 124Xe

    DOE PAGES

    Radich, A. J.; Garrett, P. E.; Allmond, J. M.; ...

    2015-04-01

    The nuclear structure of 124Xe has been investigated via measurements of the β +/EC decay of 124Cs with the 8π γ-ray spectrometer at the TRIUMF-ISAC facility. The data collected have enabled branching ratio measurements of weak, low-energy transitions from highly excited states, and the 2 + → 0 + in-band transitions have been observed. Combining these results with those from a previous Coulomb excitation study,more » $$B(E2; 2^+_3 → 0^+_2)$$ = 78(13) W.u. and $$B(E2; 2^+_4 → 0^+_3)$$ = 53(12) W.u. were determined. The $$0^+_3$$ state, in particular, is interpreted as the main fragment of the proton-pairing vibrational band identified in a previous 122Te( 3He,n) 124Xe measurement, and has quadrupole collectivity equal to, within uncertainty, that of the ground-state band.« less

  14. Photoisomerization around a fulvene double bond: coherent population transfer to the electronic ground state?

    PubMed

    Ioffe, Ilya; Dobryakov, Alexander L; Granovsky, Alexander A; Ernsting, Nikolaus P; Lustres, J Luis Pérez

    2011-07-11

    Photoisomerization around a central fulvene-type double bond is known to proceed through a conical intersection at the perpendicular geometry. The process is studied with an indenylidene-dihydropyridine model compound, allowing the use of visible excitation pulses. Transient absorption shows that 1) stimulated emission shifts to the red and loses oscillator strength on a 50 fs timescale, and 2) bleach recovery is highly nonexponential and not affected by solvent viscosity or methyl substitution at the dihydropyridine ring. Quantum-chemical calculations are used to explain point 1 as a result of initial elongation of the central C=C bond with mixing of S(2) and S(1) states. From point 2 it is concluded that internal conversion of S(1)→S(0) does not require torsional motion to the fully perpendicular state. The S(1) population appears to encounter a sink on the torsional coordinate before the conical intersection is reached. Rate equations cannot model the observed ground-state recovery adequately. Instead the dynamics are best described with a strongly damped oscillatory contribution, which could indicate coherent S(1)-S(0) population transfer. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Ground-state and pairing-vibrational bands with equal quadrupole collectivity in 124Xe

    SciTech Connect

    Radich, A. J.; Garrett, P. E.; Allmond, J. M.

    The nuclear structure of 124Xe has been investigated via measurements of the β +/EC decay of 124Cs with the 8π γ-ray spectrometer at the TRIUMF-ISAC facility. The data collected have enabled branching ratio measurements of weak, low-energy transitions from highly excited states, and the 2 + → 0 + in-band transitions have been observed. Combining these results with those from a previous Coulomb excitation study,more » $$B(E2; 2^+_3 → 0^+_2)$$ = 78(13) W.u. and $$B(E2; 2^+_4 → 0^+_3)$$ = 53(12) W.u. were determined. The $$0^+_3$$ state, in particular, is interpreted as the main fragment of the proton-pairing vibrational band identified in a previous 122Te( 3He,n) 124Xe measurement, and has quadrupole collectivity equal to, within uncertainty, that of the ground-state band.« less

  16. Electron-Impact Cross Sections for Ground State to np Excitations of Sodium and Potassium.

    PubMed

    Stone, Philip M; Kim, Yong-Ki

    2004-01-01

    Cross sections for electron impact excitation of atoms are important for modeling of low temperature plasmas and gases. While there are many experimental and theoretical results for excitation to the first excited states, little information is available for excitation to higher states. We present here calculations of excitations from the ground state to the np levels of sodium (n = 3 through 11) and potassium (n = 4 through 12). We also present a calculation for a transition from the excited sodium level 3p to 3d to show the generality of the method. Scaling formulas developed earlier by Kim [Phys. Rev. A 64, 032713 (2001)] for plane-wave Born cross sections are used. These formulas have been shown to be remarkably accurate yet simple to use. We have used a core polarization potential in a Dirac-Fock wave function code to calculate target atom wave functions and a matching form of the dipole transition operator to calculate oscillator strengths and Born cross sections. The scaled Born results here for excitation to the first excited levels are in very good agreement with experimental and other theoretical data, and the results for excitation to the next few levels are in satisfactory agreement with the limited data available. The present results for excitation to the higher levels are believed to be the only data available.

  17. Family, state, class and solidarity: re-conceptualising intergenerational solidarity through the grounded theory approach.

    PubMed

    Timonen, Virpi; Conlon, Catherine; Scharf, Thomas; Carney, Gemma

    2013-09-01

    The relationship between class and intergenerational solidarities in the public and private spheres calls for further conceptual and theoretical development. This article discusses the findings from the first wave of a qualitative longitudinal study entitled Changing Generations , conducted in Ireland in 2011-2012, comprising 100 in-depth interviews with men and women across the age and socioeconomic spectrums. Constructivist grounded theory analysis of the data gives rise to the following postulates: (1) intergenerational solidarity at the family level is strongly contoured by socioeconomic status (SES); (2) intergenerational solidarity evolves as family generations observe each others' practices and adjust their expectations accordingly; (3) intergenerational solidarity within families is also shaped by the public sphere (the welfare state) that generates varying expectations and levels of solidarity regarding State supports for different age groups, again largely dependent on SES; (4) the liberal welfare state context, especially at a time of economic crisis, enhances the significance of intergenerational solidarity within families. We conclude by calling for research that is attuned to age/generation, gender and class, and how these operate across the family and societal levels.

  18. Ground Water Atlas of the United States: Segment 7, Idaho, Oregon, Washington

    USGS Publications Warehouse

    Whitehead, R.L.

    1994-01-01

    The States of Idaho, Oregon, and Washington, which total 248,730 square miles, compose Segment 7 of this Atlas. The area is geologically and topographically diverse and contains a wealth of scenic beauty, natural resources, and ground and surface water that generally are suitable for all uses. Most of the area of Segment 7 is drained by the Columbia River, its tributaries, and other streams that discharge to the Pacific Ocean. Exceptions are those streams that flow to closed basins in southeastern Oregon and northern Nevada and to the Great Salt Lake in northern Utah. The Columbia River is one of the largest rivers in the Nation. The downstream reach of the Columbia River forms most of the border between Oregon and Washington. In 1990, Idaho, Oregon, and Washington had populations of 1.0 million, 2.8 million, and 4.9 million, respectively. The more densely populated parts are in lowland areas and stream valleys. Many of the mountains, the deserts, and the upland areas of Idaho, Oregon, and Washington lack major population centers. Large areas of Idaho and Oregon are uninhabited and are mostly public land (fig. 1) where extensive ground-water development is restricted. Surface water is abundant in Idaho, Oregon, and Washington, though not always available when and where needed. In some places, surface water provides much of the water used for public-supply, domestic and commercial, agricultural (primarily irrigation and livestock watering), and industrial purposes. In arid parts of Segment 7, however, surface water has long been fully appropriated, chiefly for irrigation. Ground water is used when and where surface-water supplies are lacking. Ground water is commonly available to shallow wells that are completed in unconsolidated-deposit aquifers that consist primarily of sand and gravel but contain variable quantities of clay and silt. Many large-yield public-supply and irrigation wells and thousands of domestic wells are completed in these types of aquifers

  19. Ground-State Wave Function with Interactions between Different Species in M-Component Miscible Bose-Einstein Condensates

    NASA Astrophysics Data System (ADS)

    Kohno, Wataru; Kirikoshi, Akimitsu; Kita, Takafumi

    2018-03-01

    We construct a variational ground-state wave function of weakly interacting M-component Bose-Einstein condensates beyond the mean-field theory by incorporating the dynamical 3/2-body processes, where one of the two colliding particles drops into the condensate and vice versa. Our numerical results with various masses and particle numbers show that the 3/2-body processes between different particles make finite contributions to lowering the ground-state energy, implying that many-body correlation effects between different particles are essential even in the weak-coupling regime of the Bose-Einstein condensates. We also consider the stability condition for 2-component miscible states using the new ground-state wave function. Through this calculation, we obtain the relation UAB2/UAAUBB < 1 + α , where Uij is the effective contact potential between particles i and j and α is the correction, which originates from the 3/2- and 2-body processes.

  20. Influence of ground-state scattering properties on photoassociation spectra near the intercombination line of bosonic ytterbium

    SciTech Connect

    Borkowski, M.; Ciurylo, R.; Julienne, P. S.

    2010-10-29

    We study theoretically the properties of photoassociation spectra near the {sup 1}S{sub 0}-{sup 3}P{sub 1} inter-combination line of bosonic ytterbium. We construct a mass scaled model of the excited state interaction potential that well describes bound state energies obtained in a previous photoassociation experiment. We then use it to calculate theoretical photoassociation spectra in a range of ultracold temperatures using semianalytical theory developed by Bohn and Julienne.Photoassociation spectra not only give us the energies of excited bound states, but also provide information about the behavior of the ground state wavefunction. In fact, it can be shown that within the so-calledmore » reflection approximation the line intensity is proportional to the ground state wavefunction at the transition's Condon point. We show that in the case of ytterbium, the rotational structure of the photoassociation spectra depends heavily on the behavior of the ground-state wavefunction. The change of the scattering length from one isotope to another and the resulting occurence of shape resonances in higher partial waves determines the appearance and disapperance of rotational components, especially in the deeper lying states, whose respective Condon points lie near the ground state centrifugal barrier. Thus, photoassociation spectra differ qualitatively between isotopes.« less

  1. Ground and excited state dissociation dynamics of ionized 1,1-difluoroethene.

    PubMed

    Gridelet, E; Dehareng, D; Locht, R; Lorquet, A J; Lorquet, J C; Leyh, B

    2005-09-22

    The kinetic energy release distributions (KERDs) for the fluorine atom loss from the 1,1-difluoroethene cation have been recorded with two spectrometers in two different energy ranges. A first experiment uses dissociative photoionization with the He(I) and Ne(I) resonance lines, providing the ions with a broad internal energy range, up to 7 eV above the dissociation threshold. The second experiment samples the metastable range, and the average ion internal energy is limited to about 0.2 eV above the threshold. In both energy domains, KERDs are found to be bimodal. Each component has been analyzed by the maximum entropy method. The narrow, low kinetic energy components display for both experiments the characteristics of a statistical, simple bond cleavage reaction: constraint equal to the square root of the fragment kinetic energy and ergodicity index higher than 90%. Furthermore, this component is satisfactorily accounted for in the metastable time scale by the orbiting transition state theory. Potential energy surfaces corresponding to the five lowest electronic states of the dissociating 1,1-C2H2F2+ ion have been investigated by ab initio calculations at various levels. The equilibrium geometry of these states, their dissociation energies, and their vibrational wavenumbers have been calculated, and a few conical intersections between these surfaces have been identified. It comes out that the ionic ground state X2B1 is adiabatically correlated with the lowest dissociation asymptote. Its potential energy curve increases in a monotonic way along the reaction coordinate, giving rise to the narrow KERD component. Two states embedded in the third photoelectron band (B2A1 at 15.95 eV and C2B2 at 16.17 eV) also correlate with the lowest asymptote at 14.24 eV. We suggest that their repulsive behavior along the reaction coordinate be responsible for the KERD high kinetic energy contribution.

  2. Three-body problem in d-dimensional space: Ground state, (quasi)-exact-solvability

    NASA Astrophysics Data System (ADS)

    Turbiner, Alexander V.; Miller, Willard; Escobar-Ruiz, M. A.

    2018-02-01

    As a straightforward generalization and extension of our previous paper [A. V. Turbiner et al., "Three-body problem in 3D space: Ground state, (quasi)-exact-solvability," J. Phys. A: Math. Theor. 50, 215201 (2017)], we study the aspects of the quantum and classical dynamics of a 3-body system with equal masses, each body with d degrees of freedom, with interaction depending only on mutual (relative) distances. The study is restricted to solutions in the space of relative motion which are functions of mutual (relative) distances only. It is shown that the ground state (and some other states) in the quantum case and the planar trajectories (which are in the interaction plane) in the classical case are of this type. The quantum (and classical) Hamiltonian for which these states are eigenfunctions is derived. It corresponds to a three-dimensional quantum particle moving in a curved space with special d-dimension-independent metric in a certain d-dependent singular potential, while at d = 1, it elegantly degenerates to a two-dimensional particle moving in flat space. It admits a description in terms of pure geometrical characteristics of the interaction triangle which is defined by the three relative distances. The kinetic energy of the system is d-independent; it has a hidden sl(4, R) Lie (Poisson) algebra structure, alternatively, the hidden algebra h(3) typical for the H3 Calogero model as in the d = 3 case. We find an exactly solvable three-body S3-permutationally invariant, generalized harmonic oscillator-type potential as well as a quasi-exactly solvable three-body sextic polynomial type potential with singular terms. For both models, an extra first order integral exists. For d = 1, the whole family of 3-body (two-dimensional) Calogero-Moser-Sutherland systems as well as the Tremblay-Turbiner-Winternitz model is reproduced. It is shown that a straightforward generalization of the 3-body (rational) Calogero model to d > 1 leads to two primitive quasi

  3. Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed.

    PubMed

    Perdew, John P; Ruzsinszky, Adrienn; Constantin, Lucian A; Sun, Jianwei; Csonka, Gábor I

    2009-04-14

    Some fundamental issues in ground-state density functional theory are discussed without equations: (1) The standard Hohenberg-Kohn and Kohn-Sham theorems were proven for a Hamiltonian that is not quite exact for real atoms, molecules, and solids. (2) The density functional for the exchange-correlation energy, which must be approximated, arises from the tendency of electrons to avoid one another as they move through the electron density. (3) In the absence of a magnetic field, either spin densities or total electron density can be used, although the former choice is better for approximations. (4) "Spin contamination" of the determinant of Kohn-Sham orbitals for an open-shell system is not wrong but right. (5) Only to the extent that symmetries of the interacting wave function are reflected in the spin densities should those symmetries be respected by the Kohn-Sham noninteracting or determinantal wave function. Functionals below the highest level of approximations should however sometimes break even those symmetries, for good physical reasons. (6) Simple and commonly used semilocal (lower-level) approximations for the exchange-correlation energy as a functional of the density can be accurate for closed systems near equilibrium and yet fail for open systems of fluctuating electron number. (7) The exact Kohn-Sham noninteracting state need not be a single determinant, but common approximations can fail when it is not. (8) Over an open system of fluctuating electron number, connected to another such system by stretched bonds, semilocal approximations make the exchange-correlation energy and hole-density sum rule too negative. (9) The gap in the exact Kohn-Sham band structure of a crystal underestimates the real fundamental gap but may approximate the first exciton energy in the large-gap limit. (10) Density functional theory is not really a mean-field theory, although it looks like one. The exact functional includes strong correlation, and semilocal approximations often

  4. Retrieving the ground state of spin glasses using thermal noise: Performance of quantum annealing at finite temperatures.

    PubMed

    Nishimura, Kohji; Nishimori, Hidetoshi; Ochoa, Andrew J; Katzgraber, Helmut G

    2016-09-01

    We study the problem to infer the ground state of a spin-glass Hamiltonian using data from another Hamiltonian with interactions disturbed by noise from the original Hamiltonian, motivated by the ground-state inference in quantum annealing on a noisy device. It is shown that the average Hamming distance between the inferred spin configuration and the true ground state is minimized when the temperature of the noisy system is kept at a finite value, and not at zero temperature. We present a spin-glass generalization of a well-established result that the ground state of a purely ferromagnetic Hamiltonian is best inferred at a finite temperature in the sense of smallest Hamming distance when the original ferromagnetic interactions are disturbed by noise. We use the numerical transfer-matrix method to establish the existence of an optimal finite temperature in one- and two-dimensional systems. Our numerical results are supported by mean-field calculations, which give an explicit expression of the optimal temperature to infer the spin-glass ground state as a function of variances of the distributions of the original interactions and the noise. The mean-field prediction is in qualitative agreement with numerical data. Implications on postprocessing of quantum annealing on a noisy device are discussed.

  5. Dipole-resonance assisted isomerization in the electronic ground state using few-cycle infrared pulses.

    PubMed

    Skocek, Oliver; Uiberacker, Christoph; Jakubetz, Werner

    2011-06-30

    A computational investigation of HCN → HNC isomerization in the electronic ground state by one- and few-cycle infrared pulses is presented. Starting from a vibrationally pre-excited reagent state, isomerization yields of more than 50% are obtained using single one- to five-cycle pulses. The principal mechanism includes two steps of population transfer by dipole-resonance (DR), and hence, the success of the method is closely linked to the polarity of the system and, in particular, the stepwise change of the dipole moment from reactant to transition state and on to products. The yield drops massively if the diagonal dipole matrix elements are artificially set to zero. In detail, the mechanism includes DR-induced preparation of a delocalized vibrational wavepacket, which traverses the barrier region and is finally trapped in the product well by DR-dominated de-excitation. The excitation and de-excitation steps are triggered by pulse lobes of opposite field direction. As the number of optical cycles is increased, the leading field lobes prepare a vibrational superposition state by off-resonant ladder climbing, which is then subjected to the three steps of the principal isomerization mechanism. DR excitation is more efficient from a preformed vibrational wavepacket than from a molecular eigenstate. The entire process can be loosely described as Tannor-Kosloff-Rice type transfer mechanism on a single potential surface effected by a single pulse, individual field lobes assuming the roles of pump- and dump-pulses. Pre-excitation to a transient wavepacket can be enhanced by applying a separate, comparatively weak few-cycle prepulse, in which the prepulse prepares a vibrational wavepacket. The two-pulse setup corresponds to a double Tannor-Kosloff-Rice control scheme on a single potential surface.

  6. Evolution of superconducting gap and metallic ground state in cuprates from transport

    NASA Astrophysics Data System (ADS)

    Taillefer, Louis

    2006-03-01

    We report on fundamental characteristics of the ground state of cuprates in the limit of T=0, for both normal and superconducting states, obtained from transport measurements on high-quality single crystals of YBCO and Tl-2201, as a function of hole concentration. The superconducting gap is extracted from thermal conductivity; it is found to scale with the superconducting transition temperature throughout the overdoped regime, with a gap-to-Tc ratio of 5 [1]. The normal state is accessed by suppressing superconductivity with magnetic fields up to 60 T and is characterized by the limiting behavior of its electrical resistivity; while carrier localization is observed in YBCO at low temperature for carrier concentrations p below 0.1 hole/planar Cu, at p=0.1 and above the material remains highly metallic down to T=0 [2]. This shows that the non-superconducting state of underdoped cuprates, deep in the pseudogap phase, is remarkably similar to that of strongly overdoped cuprates, e.g. at p=0.3. We compare these results with similar measurements on other cuprates and discuss their implication for our understanding of the cuprate phase diagram. [1] In collaboration with: D.G. Hawthorn, S.Y. Li, M. Sutherland, E. Boaknin, R.W. Hill, C. Proust, F. Ronning, M. Tanatar, J. Paglione, D. Peets, R. Liang, D.A. Bonn, W.N. Hardy, and N.N. Kolesnikov. [2] In collaboration with: C. Proust, M. Sutherland, N. Doiron- Leyraud, S.Y. Li, R. Liang, D.A. Bonn, W.N. Hardy, N.E. Hussey, S. Adachi, S. Tajima, J. Levallois, and M. Narbone.

  7. Electronic Absolute Cartesian Autocollimator

    NASA Technical Reports Server (NTRS)

    Leviton, Douglas B.

    2006-01-01

    An electronic absolute Cartesian autocollimator performs the same basic optical function as does a conventional all-optical or a conventional electronic autocollimator but differs in the nature of its optical target and the manner in which the position of the image of the target is measured. The term absolute in the name of this apparatus reflects the nature of the position measurement, which, unlike in a conventional electronic autocollimator, is based absolutely on the position of the image rather than on an assumed proportionality between the position and the levels of processed analog electronic signals. The term Cartesian in the name of this apparatus reflects the nature of its optical target. Figure 1 depicts the electronic functional blocks of an electronic absolute Cartesian autocollimator along with its basic optical layout, which is the same as that of a conventional autocollimator. Referring first to the optical layout and functions only, this or any autocollimator is used to measure the compound angular deviation of a flat datum mirror with respect to the optical axis of the autocollimator itself. The optical components include an illuminated target, a beam splitter, an objective or collimating lens, and a viewer or detector (described in more detail below) at a viewing plane. The target and the viewing planes are focal planes of the lens. Target light reflected by the datum mirror is imaged on the viewing plane at unit magnification by the collimating lens. If the normal to the datum mirror is parallel to the optical axis of the autocollimator, then the target image is centered on the viewing plane. Any angular deviation of the normal from the optical axis manifests itself as a lateral displacement of the target image from the center. The magnitude of the displacement is proportional to the focal length and to the magnitude (assumed to be small) of the angular deviation. The direction of the displacement is perpendicular to the axis about which the

  8. Low absolute neutrophil counts in African infants.

    PubMed

    Kourtis, Athena P; Bramson, Brian; van der Horst, Charles; Kazembe, Peter; Ahmed, Yusuf; Chasela, Charles; Hosseinipour, Mina; Knight, Rodney; Lugalia, Lebah; Tegha, Gerald; Joaki, George; Jafali, Robert; Jamieson, Denise J

    2005-07-01

    Infants of African origin have a lower normal range of absolute neutrophil counts than white infants; this fact, however, remains under appreciated by clinical researchers in the United States. During the initial stages of a clinical trial in Malawi, the authors noted an unexpectedly high number of infants with absolute neutrophil counts that would be classifiable as neutropenic using the National Institutes of Health's Division of AIDS toxicity tables. The authors argue that the relevant Division of AIDS table does not take into account the available evidence of low absolute neutrophil counts in African infants and that a systematic collection of data from many African settings might help establish the absolute neutrophil count cutpoints to be used for defining neutropenia in African populations.

  9. Characterization of the HSiN HNSi system in its electronic ground state

    NASA Astrophysics Data System (ADS)

    Lind, Maria C.; Pickard, Frank C.; Ingels, Justin B.; Paul, Ankan; Yamaguchi, Yukio; Schaefer, Henry F.

    2009-03-01

    The electronic ground states (X˜Σ+1) of HSiN, HNSi, and the transition state connecting the two isomers were systematically studied using configuration interaction with single and double (CISD) excitations, coupled cluster with single and double (CCSD) excitations, CCSD with perturbative triple corrections [CCSD(T)], multireference complete active space self-consistent field (CASSCF), and internally contracted multireference configuration interaction (ICMRCI) methods. The correlation-consistent polarized valence (cc-pVXZ), augmented correlation-consistent polarized valence (aug-cc-pVXZ) (X=T,Q,5), correlation-consistent polarized core-valence (cc-pCVYZ), and augmented correlation-consistent polarized core-valence (aug-cc-pCVYZ) (Y=T,Q) basis sets were used. Via focal point analyses, we confirmed the HNSi isomer as the global minimum on the ground state HSiN HNSi zero-point vibrational energy corrected surface and is predicted to lie 64.7kcalmol-1 (22640cm-1, 2.81eV) below the HSiN isomer. The barrier height for the forward isomerization reaction (HSiN→HNSi) is predicted to be 9.7kcalmol-1, while the barrier height for the reverse process (HNSi→HSiN) is determined to be 74.4kcalmol-1. The dipole moments of the HSiN and HNSi isomers are predicted to be 4.36 and 0.26D, respectively. The theoretical vibrational isotopic shifts for the HSiN/DSiN and HNSi/DNSi isotopomers are in strong agreement with the available experimental values. The dissociation energy for HSiN [HSiN(X˜Σ+1)→H(S2)+SiN(XΣ+2)] is predicted to be D0=59.6kcalmol-1, whereas the dissociation energy for HNSi [HNSi(X˜Σ+1)→H(S2)+NSi(XΣ+2)] is predicted to be D0=125.0kcalmol-1 at the CCSD(T)/aug-cc-pCVQZ level of theory. Anharmonic vibrational frequencies computed using second order vibrational perturbation theory are in good agreement with available matrix isolation experimental data for both HSiN and HNSi isomers root mean squared derivation (RMSD=9cm-1).

  10. Ground-state configurations and theoretical soft-x-ray emission of highly charged actinide ions

    NASA Astrophysics Data System (ADS)

    Sheil, J.; Kilbane, D.; O'Sullivan, G.; Liu, L.; Suzuki, C.

    2017-12-01

    It is well known that the lanthanide and actinide elements are formed by the filling of 4 f and 5 f subshells which occurs after the filling of 5 d and 6 d subshells, respectively, has begun. With increasing ionization one expects the energy levels to eventually regroup to their hydrogenic ordering, i.e., in terms of principal quantum number. In the lanthanides, the 4 f electron binding energy overtakes that of 5 p near the 6th or 7th ion stage and 5 s near the 14th or 15th ion stage, leading to dramatic rearrangements of ground-state configurations. In this paper we report on the results of a study to explore the effects of increasing ionization on the ground-state configurations of actinide ions as a result of 5 f and 6 p or 6 s level crossings. It is seen that the effects generally occur later and are more strongly influenced by spin-orbit splitting than in the lanthanides. The near degeneracies of 5 f and 6 l energies in these stages lead to configuration interaction (CI) amongst configurations with variable numbers of 5 f and 6 p electrons. The effects of CI on the level complexity are explored for ions along the Rn I sequence and are found to lead to the formation of "compound states" as predicted for the lanthanides. The extreme ultraviolet and soft x-ray spectra of medium and highly charged lanthanides are dominated by emission from unresolved transition arrays (UTAs) of the type Δ n =0 , 4 p64 dN +1-4 p54 dN +2+4 p64 dN4 f , which, in general, overlap in adjacent ion stages of a particular element. Here, the corresponding Δ n =0 , 5 p65 dN +1-5 p55 dN +2+5 p65 dN5 f UTAs have been studied theoretically with the aid of Hartree-Fock with configuration interaction calculations. As well as predicting the wavelengths and spectral details of the anticipated features, the calculations show that the effects of configuration interaction are quite different for the two different families of Δ n =0 transitions and, once more, spin-orbit interactions play a major

  11. Ground Water Atlas of the United States: Segment 9, Iowa, Michigan, Minnesota, Wisconsin

    USGS Publications Warehouse

    Olcott, Perry G.

    1992-01-01

    Segment 9, which consists of Minnesota, Iowa, Wisconsin, and Michigan, abuts the Canadian border in the upper Midwest and lies adjacent to or surrounds four of the Great Lakes-Superior, Michigan, Huron, and Erie. Thousands of small to large lakes similar to the one shown in figure 1 dot the landscape, which is drained by numerous rivers and streams tributary primarily to the Mississippi River in the west and to the Great Lakes-St. Lawrence River system in the east. These abundant surface-water sources represent an ample supply of water to large users, such as the cities of Milwaukee, Wis., and Detroit, Mich. However, water stored in unconsolidated and consolidated sedimentary-rock aquifers that underlie the four States also is in abundant supply and is an economical source that can be used for nearly any purpose, usually with little or no treatment. In more than 95 percent of the four-State area, these aquifers supply water to a broad spectrum of consumers-from individual households to cities, such as St. Paul, Minn., Madison, Wis., and Lansing, Mich. These aquifers are the subject of this chapter. The geology and the hydrology of each of the principal aquifers are illustrated and discussed insofar as information was available from the literature. Hydrogeology, ground-water flow, availability and quality of water, and freshwater withdrawals from each of the aquifers are the principal subjects of discussion. Population in the four States is concentrated in the cities and is thinly dispersed in the broad agricultural areas of the States (fig. 2). Minneapolis-St. Paul, Minn., Des Moines, Iowa, Milwaukee and Madison, Wis., and Detroit and Lansing, Mich., are a few of the principal cities. Many of these cities and other large population centers represent areas of concentrated ground-water withdrawals. Precipitation is the source of all water in Segment 9. Average annual precipitation ranges from about 20 to 40 inches across the segment and generally increases from

  12. Magnetic ground state of the Ising-like antiferromagnet DyScO 3

    SciTech Connect

    Wu, L. S.; Nikitin, Stanislav E.; Frontzek, Matthias D.

    2017-10-05

    Here, we report on the low-temperature magnetic properties of the DyScO3 perovskite, which were characterized by means of single crystal and powder neutron scattering, and by magnetization measurements. Below T N = 3.15 K, Dy 3+ moments form an antiferromagnetic structure with an easy axis of magnetization lying in the ab plane. The magnetic moments are inclined at an angle of ~ ±28° to the b axis. We show that the ground-state Kramers doublet of Dy 3+ is made up of primarily |±15/2> eigenvectors and well separated by a crystal field from the first excited state at E 1 =more » 24.9 meV. This leads to an extreme Ising single-ion anisotropy, M ⊥/M ∥~0.05. The transverse magnetic fluctuations, which are proportional to M 2 ⊥/M 2 ∥, are suppressed, and only moment fluctuations along the local Ising direction are allowed. We also found that the Dy-Dy dipolar interactions along the crystallographic c axis are two to four times larger than in-plane interactions.« less

  13. Experimental apparatus for overlapping a ground-state cooled ion with ultracold atoms

    NASA Astrophysics Data System (ADS)

    Meir, Ziv; Sikorsky, Tomas; Ben-shlomi, Ruti; Akerman, Nitzan; Pinkas, Meirav; Dallal, Yehonatan; Ozeri, Roee

    2018-03-01

    Experimental realizations of charged ions and neutral atoms in overlapping traps are gaining increasing interest due to their wide research application ranging from chemistry at the quantum level to quantum simulations of solid state systems. In this paper, we describe our experimental system in which we overlap a single ground-state cooled ion trapped in a linear Paul trap with a cloud of ultracold atoms such that both constituents are in the ?K regime. Excess micromotion (EMM) currently limits atom-ion interaction energy to the mK energy scale and above. We demonstrate spectroscopy methods and compensation techniques which characterize and reduce the ion's parasitic EMM energy to the ?K regime even for ion crystals of several ions. We further give a substantial review on the non-equilibrium dynamics which governs atom-ion systems. The non-equilibrium dynamics is manifested by a power law distribution of the ion's energy. We also give an overview on the coherent and non-coherent thermometry tools which can be used to characterize the ion's energy distribution after single to many atom-ion collisions.

  14. Low energy collisions of spin-polarized metastable argon atoms with ground state argon atoms

    NASA Astrophysics Data System (ADS)

    Taillandier-Loize, T.; Perales, F.; Baudon, J.; Hamamda, M.; Bocvarski, V.; Ducloy, M.; Correia, F.; Fabre, N.; Dutier, G.

    2018-04-01

    The collision between a spin-polarized metastable argon atom in Ar* (3p54s, 3P2, M = +2) state slightly decelerated by the Zeeman slower-laser technique and a co-propagating thermal ground state argon atom Ar (3p6, 1S0), both merged from the same supersonic beam, but coming through adjacent slots of a rotating disk, is investigated at the center of mass energies ranging from 1 to 10 meV. The duration of the laser pulse synchronised with the disk allows the tuning of the relative velocity and thus the collision energy. At these sub-thermal energies, the ‘resonant metastability transfer’ signal is too small to be evidenced. The explored energy range requires using indiscernibility amplitudes for identical isotopes to have a correct interpretation of the experimental results. Nevertheless, excitation transfers are expected to increase significantly at much lower energies as suggested by previous theoretical predictions of potentials 2g(3P2) and 2u(3P2). Limits at ultra-low collisional energies of the order of 1 mK (0.086 μeV) or less, where gigantic elastic cross sections are expected, will also be discussed. The experimental method is versatile and could be applied using different isotopes of Argon like 36Ar combined with 40Ar, as well as other rare gases among which Krypton should be of great interest thanks to the available numerous isotopes present in a natural gas mixture.

  15. Ground-state magnetic phase diagram of bow-tie graphene nanoflakes in external magnetic field

    NASA Astrophysics Data System (ADS)

    Szałowski, Karol

    2013-12-01

    The magnetic phase diagram of a ground state is studied theoretically for graphene nanoflakes of bow-tie shape and various sizes in external in-plane magnetic field. The tight-binding Hamiltonian supplemented with Hubbard term is used to model the electronic structure of the systems in question. The existence of the antiferromagnetic phase with magnetic moments localized at the sides of the bow-tie is found for low field and a field-induced spin-flip transition to ferromagnetic state is predicted to occur in charge-undoped structures. For small nanoflake doped with a single charge carrier, the low-field phase is ferrimagnetic and a metamagnetic transition to ferromagnetic ordering can be forced by the field. The critical field is found to decrease with increasing size of the nanoflake. The influence of diagonal and off-diagonal disorder on the mentioned magnetic properties is studied. The effect of off-diagonal disorder is found to be more important than that of diagonal disorder, leading to significantly widened distribution of critical fields for disordered population of nanoflakes.

  16. Treating Zc(3900 ) and Z (4430 ) as the ground state and first radially excited tetraquarks

    NASA Astrophysics Data System (ADS)

    Agaev, S. S.; Azizi, K.; Sundu, H.

    2017-08-01

    Exploration of the resonances Zc(3900 ) and Z (4430 ) are performed by assuming that they are the ground state and first radial excitation of the same tetraquark with JP=1+. The mass and current coupling of the Zc(3900 ) and Z (4430 ) states are calculated using the QCD two-point sum rule method by taking into account vacuum condensates up to eight dimensions. We investigate the vertices ZcMhMl and Z MhMl, with Mh and Ml being the heavy and light mesons and evaluate the strong couplings gZcMhMl and gZ MhMl using the QCD sum rule on the light cone. The extracted couplings allow us to find the partial width of the decays Zc(3900 )→J /ψ π , ψ'π , ηcρ and Z (4430 )→ψ'π , J /ψ π , ηc'ρ , ηcρ , which may help in comprehensive investigation of these resonances. We compare the width of the decays of Zc(3900 ) and Z (4430 ) resonances with available experimental data as well as existing theoretical predictions.

  17. Global potential energy surface of ground state singlet spin O4

    NASA Astrophysics Data System (ADS)

    Mankodi, Tapan K.; Bhandarkar, Upendra V.; Puranik, Bhalchandra P.

    2018-02-01

    A new global potential energy for the singlet spin state O4 system is reported using CASPT2/aug-cc-pVTZ ab initio calculations. The geometries for the six-dimensional surface are constructed using a novel point generation scheme that employs randomly generated configurations based on the beta distribution. The advantage of this scheme is apparent in the reduction of the number of required geometries for a reasonably accurate potential energy surface (PES) and the consequent decrease in the overall computational effort. The reported surface matches well with the recently published singlet surface by Paukku et al. [J. Chem. Phys. 147, 034301 (2017)]. In addition to the O4 PES, the ground state N4 PES is also constructed using the point generation scheme and compared with the existing PES [Y. Paukku et al., J. Chem. Phys. 139, 044309 (2013)]. The singlet surface is constructed with the aim of studying high energy O2-O2 collisions and predicting collision induced dissociation cross section to be used in simulating non-equilibrium aerothermodynamic flows.

  18. Ground-state properties of anyons in a one-dimensional lattice

    NASA Astrophysics Data System (ADS)

    Tang, Guixin; Eggert, Sebastian; Pelster, Axel

    2015-12-01

    Using the Anyon-Hubbard Hamiltonian, we analyze the ground-state properties of anyons in a one-dimensional lattice. To this end we map the hopping dynamics of correlated anyons to an occupation-dependent hopping Bose-Hubbard model using the fractional Jordan-Wigner transformation. In particular, we calculate the quasi-momentum distribution of anyons, which interpolates between Bose-Einstein and Fermi-Dirac statistics. Analytically, we apply a modified Gutzwiller mean-field approach, which goes beyond a classical one by including the influence of the fractional phase of anyons within the many-body wavefunction. Numerically, we use the density-matrix renormalization group by relying on the ansatz of matrix product states. As a result it turns out that the anyonic quasi-momentum distribution reveals both a peak-shift and an asymmetry which mainly originates from the nonlocal string property. In addition, we determine the corresponding quasi-momentum distribution of the Jordan-Wigner transformed bosons, where, in contrast to the hard-core case, we also observe an asymmetry for the soft-core case, which strongly depends on the particle number density.

  19. Ground-state properties of light kaonic nuclei signaling symmetry energy at high densities

    NASA Astrophysics Data System (ADS)

    Yang, Rongyao; Wei, Sina; Jiang, Weizhou

    2018-01-01

    A sensitive correlation between the ground-state properties of light kaonic nuclei and the symmetry energy at high densities is constructed under the framework of relativistic mean-field theory. Taking oxygen isotopes as an example, we see that a high-density core is produced in kaonic oxygen nuclei, due to the strongly attractive antikaon-nucleon interaction. It is found that the 1{S}1/2 state energy in the high-density core of kaonic nuclei can directly probe the variation of the symmetry energy at supranormal nuclear density, and a sensitive correlation between the neutron skin thickness and the symmetry energy at supranormal density is established directly. Meanwhile, the sensitivity of the neutron skin thickness to the low-density slope of the symmetry energy is greatly increased in the corresponding kaonic nuclei. These sensitive relationships are established upon the fact that the isovector potential in the central region of kaonic nuclei becomes very sensitive to the variation of the symmetry energy. These findings might provide another perspective to constrain high-density symmetry energy, and await experimental verification in the future. Supported by National Natural Science Foundation of China (11775049, 11275048) and the China Jiangsu Provincial Natural Science Foundation (BK20131286)

  20. Path integral Monte Carlo ground state approach: formalism, implementation, and applications

    NASA Astrophysics Data System (ADS)

    Yan, Yangqian; Blume, D.

    2017-11-01

    Monte Carlo techniques have played an important role in understanding strongly correlated systems across many areas of physics, covering a wide range of energy and length scales. Among the many Monte Carlo methods applicable to quantum mechanical systems, the path integral Monte Carlo approach with its variants has been employed widely. Since semi-classical or classical approaches will not be discussed in this review, path integral based approaches can for our purposes be divided into two categories: approaches applicable to quantum mechanical systems at zero temperature and approaches applicable to quantum mechanical systems at finite temperature. While these two approaches are related to each other, the underlying formulation and aspects of the algorithm differ. This paper reviews the path integral Monte Carlo ground state (PIGS) approach, which solves the time-independent Schrödinger equation. Specifically, the PIGS approach allows for the determination of expectation values with respect to eigen states of the few- or many-body Schrödinger equation provided the system Hamiltonian is known. The theoretical framework behind the PIGS algorithm, implementation details, and sample applications for fermionic systems are presented.

  1. Measurements of copper ground-state and metastable level population densities in a copper-chloride laser

    NASA Technical Reports Server (NTRS)

    Nerheim, N. M.

    1977-01-01

    The population densities of both the ground and the 2D(5/2) metastable states of copper atoms in a double-pulsed copper-chloride laser are correlated with laser energy as a function of time after the dissociation current pulse. Time-resolved density variations of the ground and excited copper atoms were derived from measurements of optical absorption at 324.7 and 510.6 nm, respectively, over a wide range of operating conditions in laser tubes with diameters of 4 to 40 mm. The minimum delay between the two current pulses at which lasing was observed is shown to be a function of the initial density and subsequent decay of the metastable state. Similarly, the maximum delay is shown to be a function of the initial density and decay of the ground state.

  2. Highly macroscopically degenerated single-point ground states as source of specific heat capacity anomalies in magnetic frustrated systems

    NASA Astrophysics Data System (ADS)

    Jurčišinová, E.; Jurčišin, M.

    2018-04-01

    Anomalies of the specific heat capacity are investigated in the framework of the exactly solvable antiferromagnetic spin- 1 / 2 Ising model in the external magnetic field on the geometrically frustrated tetrahedron recursive lattice. It is shown that the Schottky-type anomaly in the behavior of the specific heat capacity is related to the existence of unique highly macroscopically degenerated single-point ground states which are formed on the borders between neighboring plateau-like ground states. It is also shown that the very existence of these single-point ground states with large residual entropies predicts the appearance of another anomaly in the behavior of the specific heat capacity for low temperatures, namely, the field-induced double-peak structure, which exists, and should be observed experimentally, along with the Schottky-type anomaly in various frustrated magnetic system.

  3. Ground Water Atlas of the United States: Segment 8, Montana, North Dakota, South Dakota, Wyoming

    USGS Publications Warehouse

    Whitehead, R.L.

    1996-01-01

    The States of Montana, North Dakota, South Dakota, and Wyoming compose the 392,764-square-mile area of Segment 8, which is in the north-central part of the continental United States. The area varies topographically from the high rugged mountain ranges of the Rocky Mountains in western Montana and Wyoming to the gently undulating surface of the Central Lowland in eastern North Dakota and South Dakota (fig. 1). The Black Hills in southwestern South Dakota and northeastern Wyoming interrupt the uniformity of the intervening Great Plains. Segment 8 spans the Continental Divide, which is the drainage divide that separates streams that generally flow westward from those that generally flow eastward. The area of Segment 8 is drained by the following major rivers or river systems: the Green River drains southward to join the Colorado River, which ultimately discharges to the Gulf of California; the Clark Fork and the Kootenai Rivers drain generally westward by way of the Columbia River to discharge to the Pacific Ocean; the Missouri River system and the North Platte River drain eastward and southeastward to the Mississippi River, which discharges to the Gulf of Mexico; and the Red River of the North and the Souris River drain northward through Lake Winnipeg to ultimately discharge to Hudson Bay in Canada. These rivers and their tributaries are an important source of water for public-supply, domestic and commercial, agricultural, and industrial uses. Much of the surface water has long been appropriated for agricultural use, primarily irrigation, and for compliance with downstream water pacts. Reservoirs store some of the surface water for flood control, irrigation, power generation, and recreational purposes. Surface water is not always available when and where it is needed, and ground water is the only other source of supply. Ground water is obtained primarily from wells completed in unconsolidated-deposit aquifers that consist mostly of sand and gravel, and from wells

  4. Implementation of rigorous renormalization group method for ground space and low-energy states of local Hamiltonians

    NASA Astrophysics Data System (ADS)

    Roberts, Brenden; Vidick, Thomas; Motrunich, Olexei I.

    2017-12-01

    The success of polynomial-time tensor network methods for computing ground states of certain quantum local Hamiltonians has recently been given a sound theoretical basis by Arad et al. [Math. Phys. 356, 65 (2017), 10.1007/s00220-017-2973-z]. The convergence proof, however, relies on "rigorous renormalization group" (RRG) techniques which differ fundamentally from existing algorithms. We introduce a practical adaptation of the RRG procedure which, while no longer theoretically guaranteed to converge, finds matrix product state ansatz approximations to the ground spaces and low-lying excited spectra of local Hamiltonians in realistic situations. In contrast to other schemes, RRG does not utilize variational methods on tensor networks. Rather, it operates on subsets of the system Hilbert space by constructing approximations to the global ground space in a treelike manner. We evaluate the algorithm numerically, finding similar performance to density matrix renormalization group (DMRG) in the case of a gapped nondegenerate Hamiltonian. Even in challenging situations of criticality, large ground-state degeneracy, or long-range entanglement, RRG remains able to identify candidate states having large overlap with ground and low-energy eigenstates, outperforming DMRG in some cases.

  5. Fragile singlet ground-state magnetism in the pyrochlore osmates R 2 Os 2 O 7 ( R = Y and Ho)

    SciTech Connect

    Zhao, Z. Y.; Calder, S.; Aczel, A. A.

    The singlet ground state magnetism in pyrochlore osmates Y 2Os 2O 7 and Ho 2Os 2O 7 is studied by DC and AC susceptibility, specific heat, and neutron powder diffraction measurements. Despite the expected non-magnetic singlet in the strong spin-orbit coupling (SOC) limit for Os 4+ (5d 4), Y 2Os 2O 7 exhibits a spin-glass (SG) ground state below 4 K with weak magnetism, suggesting possible proximity to a quantum phase transition between the non-magnetic state in the strong SOC limit and the magnetic state in the strong superexchange limit. Ho 2Os 2O 7 has the same structural distortion asmore » occurs in Y 2Os 2O 7. However, the Os sublattice in Ho 2Os 2O 7 shows long- range magnetic ordering below 36 K. We find that the sharp difference of the magnetic ground state between Y 2Os 2O 7 and Ho 2Os 2O 7 signals the singlet ground state magnetism in R 2 Os 2 O 7 is fragile and can be disturbed by the weak 4f—5d interactions.« less

  6. Fragile singlet ground-state magnetism in the pyrochlore osmates R 2 Os 2 O 7 ( R = Y and Ho)

    DOE PAGES

    Zhao, Z. Y.; Calder, S.; Aczel, A. A.; ...

    2016-04-25

    The singlet ground state magnetism in pyrochlore osmates Y 2Os 2O 7 and Ho 2Os 2O 7 is studied by DC and AC susceptibility, specific heat, and neutron powder diffraction measurements. Despite the expected non-magnetic singlet in the strong spin-orbit coupling (SOC) limit for Os 4+ (5d 4), Y 2Os 2O 7 exhibits a spin-glass (SG) ground state below 4 K with weak magnetism, suggesting possible proximity to a quantum phase transition between the non-magnetic state in the strong SOC limit and the magnetic state in the strong superexchange limit. Ho 2Os 2O 7 has the same structural distortion asmore » occurs in Y 2Os 2O 7. However, the Os sublattice in Ho 2Os 2O 7 shows long- range magnetic ordering below 36 K. We find that the sharp difference of the magnetic ground state between Y 2Os 2O 7 and Ho 2Os 2O 7 signals the singlet ground state magnetism in R 2 Os 2 O 7 is fragile and can be disturbed by the weak 4f—5d interactions.« less

  7. Making connections for bird conservation: linking states, provinces & territories to important wintering and breeding grounds

    USGS Publications Warehouse

    Blancher, P.J.; Jacobs, B.; Couturier, A.; Beardmore, C.J.; Dettmers, R.; Dunn, Erica H.; Easton, W.; Iñigo-Elias, Eduardo E.; Rich, T.D.; Rosenberg, K.V.; Ruth, J.M.

    2006-01-01

    To effectively conserve migratory landbirds, we need to be involved in conservation beyond our political borders. This has been a central tenet of Partners in Flight (PIF) since the initiative began in 1990 with a focus on Nearctic-Neotropical migrants. Implementation of this concept has also been fundamental to the success of the North American Waterfowl Management Plan (e.g., NAWMP 2004). Actions by individual states, provinces and territories are key to the success of PIF efforts at the continental scale, and great progress has been made in recent years though various initiatives. Currently, U.S. state Wildlife Action Plans are outlining a vast array of actions to benefit priority species. However, it is also very important to take action in regions that support these same species at the other end of their migratory movements, to ensure effective protection year-round (Rappole et al. 1983, Webster and Marra 2005, Elliott et al. 2005). For instance, conservation action is needed on the wintering grounds for many birds that breed in Canada and the U.S. but spend a large portion of their annual cycle in Mexico, the West Indies, Central and/or South America. In this document we use maps to summarize migratory connections between individual U.S. states, Canadian provinces & territories and the regions that support the same birds at the other end of migration. The maps give a general picture of where birds go, providing a starting point for targeting action. With this information in hand, decision-makers can explore partnerships and mechanism that would help further conservation action outside their bordersa?|

  8. Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density.

    PubMed

    Ayers, Paul W; Parr, Robert G

    2008-08-07

    Higher-order global softnesses, local softnesses, and softness kernels are defined along with their hardness inverses. The local hardness equalization principle recently derived by the authors is extended to arbitrary order. The resulting hierarchy of equalization principles indicates that the electronegativity/chemical potential, local hardness, and local hyperhardnesses all are constant when evaluated for the ground-state electron density. The new equalization principles can be used to test whether a trial electron density is an accurate approximation to the true ground-state density and to discover molecules with desired reactive properties, as encapsulated by their chemical reactivity indicators.

  9. Theoretical Electric Dipole Moments and Dissociation Energies for the Ground States of GaH-BrH

    NASA Technical Reports Server (NTRS)

    Pettersson, Lars G. M.; Langhoff, Stephen R.

    1986-01-01

    Reliable experimental diople moments are available for the ground states of SeH and BrH whereas no values have been reported for GaH and AsH a recently reported experimental dipole moment for GeH of 1.24 + or -0.01 D has been seriously questioned, and a much lower value of, 0.1 + or - 0.05 D, suggested. In this work, we report accurate theoretical dipole moments, dipole derivatives, dissociation energies, and spectroscopic constants (tau(sub e), omega(sub e)) for the ground states of GaH through BrH.

  10. Instability of Bose-Einstein condensation into the one-particle ground state on quantum graphs under repulsive perturbations

    SciTech Connect

    Bolte, Jens, E-mail: jens.bolte@rhul.ac.uk; Kerner, Joachim, E-mail: joachim.kerner@fernuni-hagen.de

    In this paper we investigate Bose-Einstein condensation into the one-particle ground state in interacting quantum many-particle systems on graphs. We extend previous results obtained for particles on an interval and show that even arbitrarily small repulsive two-particle interactions destroy the condensate in the one-particle ground state present in the non-interacting Bose gas. Our results also cover singular two-particle interactions, such as the well-known Lieb-Liniger model, in the thermodynamic limit.

  11. Decay widths of ground-state and excited {Xi}{sub b} baryons in a nonrelativistic quark model

    SciTech Connect

    Limphirat, Ayut; Thailand Center of Excellence in Physics; Department of Applied Physics, Faculty of Sciences and Liberal Arts, Rajamangala University of Technology Isan, Nakhon Ratchasima 30000

    Decay processes of ground and excited bottom baryons are studied in the {sup 3}P{sub 0} nonrelativistic quark model with all model parameters fixed in the sector of light quarks. Using as an input the recent mass of {Xi}{sub b} and the theoretical masses of {Xi}{sub b}{sup *} and {Xi}{sub b}{sup '}, narrow decay widths are predicted for the ground-state bottom baryons {Xi}{sub b}{sup *} and {Xi}{sub b}{sup '}. The work predicts large decay widths, about 100 MeV for the {rho}-type orbital excitation states of {Xi}{sub b}.

  12. Electronic excitation of ground state atoms by collision with heavy gas particles

    NASA Technical Reports Server (NTRS)

    Hansen, C. Frederick

    1993-01-01

    Most of the important chemical reactions which occur in the very high temperature air produced around space vehicles as they enter the atmosphere were investigated both experimentally and theoretically, to some extent at least. One remaining reaction about which little is known, and which could be quite important at the extremely high temperatures that will be produced by the class of space vehicles now contemplated - such as the AOTV - is the excitation of bound electron states due to collisions between heavy gas particles. Rates of electronic excitation due to free electron collisions are known to be very rapid, but because these collisions quickly equilibrate the free and bound electron energy, the approach to full equilibrium with the heavy particle kinetic energy will depend primarily on the much slower process of bound electron excitation in heavy particle collisions and the subsequent rapid transfer to free electron energy. This may be the dominant mechanism leading to full equilibrium in the gas once the dissociation process has depleted the molecular states so the transfer between molecular vibrational energy and free electron energy is no longer available as a channel for equilibration of free electron and heavy particle kinetic energies. Two mechanisms seem probable in electronic excitation by heavy particle impact. One of these is the collision excitation and deexcitation of higher electronic states which are Rydberg like. A report, entitled 'Semi-Classical Theory of Electronic Excitation Rates', was submitted previously. This presented analytic expressions for the transition probabilities, assuming that the interaction potential is an exponential repulsion with a perturbation ripple due to the dipole-induced dipole effect in the case of neutral-neutral collisions, and to the ion-dipole interaction in the case of ion-neutral collisions. However the above may be, there is little doubt that excitation of ground state species by collision occurs at the

  13. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  14. A semiempirical study for the ground and excited states of free-base and zinc porphyrin-fullerene dyads

    NASA Technical Reports Server (NTRS)

    Parusel, A. B.

    2000-01-01

    The ground and excited states of a covalently linked porphyrin-fullerene dyad in both its free-base and zinc forms (D. Kuciauskas et al., J. Phys. Chem. 100 (1996) 15926) have been investigated by semiempirical methods. The excited-state properties are discussed by investigation of the character of the molecular orbitals. All frontier MOs are mainly localized on either the donor or the acceptor subunit. Thus, the absorption spectra of both systems are best described as the sum of the spectra of the single components. The experimentally observed spectra are well reproduced by the theoretical computations. Both molecules undergo efficient electron transfer in polar but not in apolar solvents. This experimental finding is explained theoretically by explicitly considering solvent effects. The tenth excited state in the gas phase is of charge-separated character where an electron is transferred from the porphyrin donor to the fullerene acceptor subunit. This state is stabilized in energy in polar solvents due to its large formal dipole moment. The stabilization energy for an apolar environment such as benzene is not sufficient to lower this state to become the first excited singlet state. Thus, no electron transfer is observed, in agreement with experiment. In a polar environment such as acetonitrile, the charge-separated state becomes the S, state and electron transfer takes place, as observed experimentally. The flexible single bond connecting both the donor and acceptor subunits allows free rotation by ca. +/- 30 degrees about the optimized ground-state conformation. For the charge-separated state this optimized geometry has a maximum dipole moment. The geometry of the charge-separated state thus does not change relatively to the ground-state conformation. The electron-donating properties of porphyrin are enhanced in the zinc derivative due to a reduced porphyrin HOMO-LUMO energy gap. This yields a lower energy for the charge-separated state compared to the free

  15. Ground state of underdoped cuprates in vicinity of superconductor-to-insulator transition

    DOE PAGES

    Wu, Jie; Bollinger, Anthony T.; Sun, Yujie; ...

    2016-08-15

    When an insulating underdoped cuprate is doped beyond a critical concentration (x c), high-temperature superconductivity emerges. We have synthesized a series of La 2–xSr xCuO 4 (LSCO) samples using the combinatorial spread technique that allows us to traverse the superconductor-to-insulator transition (SIT) in extremely fine doping steps, Δx≈0.00008. We have measured the Hall resistivity (ρ H) as a function of temperature down to 300 mK in magnetic fields up to 9 T. At very low temperatures, ρ H shows an erratic behavior, jumps and fluctuations exceeding 100%, hysteresis, and memory effects, indicating that the insulating ground state is a charge-clustermore » glass (CCG). Furthermore, based on the phase diagram depicted in our experiment, we propose a unified picture to account for the anomalous electric transport in the vicinity of the SIT, suggesting that the CCG is in fact a disordered and glassy version of the charge density wave.« less

  16. Ab initio calculation of the rotational spectrum of methane vibrational ground state

    NASA Astrophysics Data System (ADS)

    Cassam-Chenaï, P.; Liévin, J.

    2012-05-01

    In a previous article we have introduced an alternative perturbation scheme to the traditional one starting from the harmonic oscillator, rigid rotator Hamiltonian, to find approximate solutions of the spectral problem for rotation-vibration molecular Hamiltonians. The convergence of our method for the methane vibrational ground state rotational energy levels was quicker than that of the traditional method, as expected, and our predictions were quantitative. In this second article, we study the convergence of the ab initio calculation of effective dipole moments for methane within the same theoretical frame. The first order of perturbation when applied to the electric dipole moment operator of a spherical top gives the expression used in previous spectroscopic studies. Higher orders of perturbation give corrections corresponding to higher centrifugal distortion contributions and are calculated accurately for the first time. Two potential energy surfaces of the literature have been used for solving the anharmonic vibrational problem by means of the vibrational mean field configuration interaction approach. Two corresponding dipole moment surfaces were calculated in this work at a high level of theory. The predicted intensities agree better with recent experimental values than their empirical fit. This suggests that our ab initio dipole moment surface and effective dipole moment operator are both highly accurate.

  17. Local-spin-density calculations for iron: Effect of spin interpolation on ground-state properties

    SciTech Connect

    MacLaren, J.M.; Clougherty, D.P.; Albers, R.C.

    1990-08-15

    Scalar-relativistic self-consistent linear muffin-tin orbital (LMTO) calculations for bcc and fcc Fe have been performed with several different local approximations to the exchange and correlation energy density and potential. Overall, in contrast to the conclusions of previous studies, we find that the local-spin-density approximation to exchange and correlation can provide an adequate description of bulk Fe {ital provided} that a proper parametrization of the correlation energy density and potential of the homogeneous electron gas over both spin and density is used. Lattice constants, found from the position of the minimum of the total energy as a function of Wigner-Seitz radius,more » agree to within 1% (for {ital s},{ital p},{ital d} LMTO's only) and within 1--2% (for {ital s},{ital p},{ital d},{ital f} LMTO's) of the experimental lattice constants for all forms used for the local correlation. The best agreement, however, was obtained using a local correlation potential derived from the Vosko-Wilk-Nusair form for the spin dependence of the correlation energy density. The calculation performed with this correlation potential was also the only calculation to correctly predict a bcc ferromagnetic ground state.« less

  18. Further investigation of g factors for the lead monofluoride ground state

    DOE PAGES

    Skripnikov, L. V.; Petrov, A. N.; Titov, A. V.; ...

    2015-09-15

    We report the results of our theoretical study and analysis of earlier experimental data for the g-factor tensor components of the ground 2II 1/2 state of the free PbF radical. These values obtained both within the relativistic coupled-cluster method combined with the generalized relativistic effective core potential approach and with our fit of the experimental data from [R. J. Mawhorter, B. S. Murphy, A. L. Baum, T. J. Sears, T. Yang, P. M. Rupasinghe, C. P. McRaven, N. E. Shafer-Ray, L. D. Alphei, and J.-U. Grabow, Phys. Rev. A 84, 022508 (2011); A. L. Baum, B.A. thesis, Pomona College, 2011].more » The obtained results agree very well with each other but contradict the previous fit performed in the cited works. Our final prediction for g factors is G ∥=0.081(5),G ⊥=–0.27(1).« less

  19. Random-field Ising model on isometric lattices: Ground states and non-Porod scattering

    NASA Astrophysics Data System (ADS)

    Bupathy, Arunkumar; Banerjee, Varsha; Puri, Sanjay

    2016-01-01

    We use a computationally efficient graph cut method to obtain ground state morphologies of the random-field Ising model (RFIM) on (i) simple cubic (SC), (ii) body-centered cubic (BCC), and (iii) face-centered cubic (FCC) lattices. We determine the critical disorder strength Δc at zero temperature with high accuracy. For the SC lattice, our estimate (Δc=2.278 ±0.002 ) is consistent with earlier reports. For the BCC and FCC lattices, Δc=3.316 ±0.002 and 5.160 ±0.002 , respectively, which are the most accurate estimates in the literature to date. The small-r behavior of the correlation function exhibits a cusp regime characterized by a cusp exponent α signifying fractal interfaces. In the paramagnetic phase, α =0.5 ±0.01 for all three lattices. In the ferromagnetic phase, the cusp exponent shows small variations due to the lattice structure. Consequently, the interfacial energy Ei(L ) for an interface of size L is significantly different for the three lattices. This has important implications for nonequilibrium properties.

  20. Fourier transform millimeter-wave spectroscopy of the ethyl radical in the electronic ground state.

    PubMed

    Kim, Eunsook; Yamamoto, Satoshi

    2004-02-15

    The pure rotational spectrum of the ethyl radical (C2H5) has been detected for the first time with the Fourier transform millimeter-wave spectrometer. The ethyl radical is produced by discharging the C2H5I gas diluted in Ar. The 1(01)-0(00) rotational transition of the ethyl radical is observed in the frequency range from 43,680 to 43,780 MHz. The observed spectrum shows a very complicated pattern of the fine and hyperfine structures of a doublet radical with the nuclear spins of five protons. The fine and hyperfine components are assigned with the aid of measurements of the Zeeman splittings. As a result, the 22 lines are ascribed to the transitions in the ground vibronic state (A2"). The rotational constant, the spin-rotation interaction constant, and hyperfine interaction constants are determined by the least-squares fit. The Fermi contact term of the alpha-proton is determined to be -64.1654 MHz in the gas phase, indicating that the structure of the -CH2 is essentially planar. The present rotational spectroscopic study further supports that the methyl group of the ethyl radical can be regarded as a nearly free internal rotor with a low energy barrier. A few unassigned lines still remain, which may be vibrational satellites of the internal rotation mode. Copyright 2004 American Institute of Physics

  1. Existence of ground state of an electron in the BDF approximation

    NASA Astrophysics Data System (ADS)

    Sok, Jérémy

    2014-05-01

    The Bogoliubov-Dirac-Fock (BDF) model allows us to describe relativistic electrons interacting with the Dirac sea. It can be seen as a mean-field approximation of Quantum Electrodynamics (QED) where photons are neglected. This paper treats the case of an electron together with the Dirac sea in the absence of any external field. Such a system is described by its one-body density matrix, an infinite rank, self-adjoint operator. The parameters of the model are the coupling constant α > 0 and the ultraviolet cut-off Λ > 0: we consider the subspace of squared integrable functions made of the functions whose Fourier transform vanishes outside the ball B(0, Λ). We prove the existence of minimizers of the BDF energy under the charge constraint of one electron and no external field provided that α, Λ-1 and α log(Λ) are sufficiently small. The interpretation is the following: in this regime the electron creates a polarization in the Dirac vacuum which allows it to bind. We then study the non-relativistic limit of such a system in which the speed of light tends to infinity (or equivalently α tends to zero) with αlog(Λ) fixed: after rescaling and translation the electronic solution tends to a Choquard-Pekar ground state.

  2. Woodcock singing-ground counts and habitat changes in the northeastern United States

    USGS Publications Warehouse

    Dwyer, T.J.; McAuley, D.G.; Derleth, E.L.

    1983-01-01

    Aerial photography from the late 1960's and the late 1970's was used to study habitat changes along 78 American woodcock (Scolopax minor) singing-ground routes in 9 northeastern states. The most noticeable changes were declines in the amount of abandoned field, cropland, shrubland, and field/pasture. The amount of land in the urban/industrial type increased 33.4% from the late 1960's to the late 1970's. We examined relationships between the woodcock call-count index and habitat variables using multiple-regression techniques. The abundance of calling male woodcock was positively correlated with the amount of abandoned field and alder (Alnus sp.) and negatively correlated with the amount of urban/industrial type. However, only the change in the urban/industrial type was significantly (P < 0.05) related to the change in the call-count index. Urban/industrial area increased, whereas the call-count index declined on average in our sample of routes by 1.4 birds/route (40.5%).

  3. Ground-state calculations of confined hydrogen molecule H2 using variational Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Doma, S. B.; El-Gammal, F. N.; Amer, A. A.

    2018-07-01

    The variational Monte Carlo method is used to evaluate the ground-state energy of a confined hydrogen molecule H2. Accordingly, we considered the.me case of hydrogen molecule confined by a hard prolate spheroidal cavity when the nuclear positions are clamped at the foci (on-focus case). Also, the case of off-focus nuclei in which the two nuclei are not clamped to the foci is studied. This case provides flexibility for the treatment of the molecular properties by selecting an arbitrary size and shape for the confining spheroidal box. A simple chemical analysis concerning the catalytic role of enzyme is investigated. An accurate trial wave function depending on many variational parameters is used for this purpose. The obtained results for the case of clamped foci exhibit good accuracy compared with the high precision variational data presented previously. In the case of off-focus nuclei, an improvement is obtained with respect to the most recent uncorrelated results existing in the literature.

  4. The emission function of ground-based light sources: State of the art and research challenges

    NASA Astrophysics Data System (ADS)

    Solano Lamphar, Héctor Antonio

    2018-05-01

    To understand the night sky radiance generated by the light emissions of urbanised areas, different researchers are currently proposing various theoretical approaches. The distribution of the radiant intensity as a function of the zenith angle is one of the most unknown properties on modelling skyglow. This is due to the collective effects of the artificial radiation emitted from the ground-based light sources. The emission function is a key property in characterising the sky brightness under arbitrary conditions, therefore it is required by modellers, environmental engineers, urban planners, light pollution researchers, and experimentalists who study the diffuse light of the night sky. As a matter of course, the emission function considers the public lighting system, which is in fact the main generator of the skyglow. Still, another class of light-emitting devices are gaining importance since their overuse and the urban sprawl of recent years. This paper will address the importance of the emission function in modelling skyglow and the factors involved in its characterization. On this subject, the author's intention is to organise, integrate, and evaluate previously published research in order to state the progress of current research toward clarifying this topic.

  5. Pressure dependence of the magnetic ground states in MnP

    DOE PAGES

    Matsuda, Masaaki; Ye, Feng; Dissanayake, Sachith E.; ...

    2016-03-17

    MnP, a superconductor under pressure, exhibits a ferromagnetic order below TC~290 K followed by a helical order with the spins lying in the ab plane and the helical rotation propagating along the c axis below Ts~50 K at ambient pressure. We performed single-crystal neutron diffraction experiments to determine the magnetic ground states under pressure. Both TC and Ts are gradually suppressed with increasing pressure and the helical order disappears at ~1.2 GPa. At intermediate pressures of 1.8 and 2.0 GPa, the ferromagnetic order first develops and changes to a conical or two-phase (ferromagnetic and helical) structure with the propagation alongmore » the b axis below a characteristic temperature. At 3.8 GPa, a helical magnetic order appears below 208 K, which hosts the spins in the ac plane and the propagation along the b axis. The period of this b axis modulation is shorter than that at 1.8 GPa. Here, our results indicate that the magnetic phase in the vicinity of the superconducting phase may have a helical magnetic correlation along the b axis.« less

  6. Magnetic ground state and magnon-phonon interaction in multiferroic h -YMnO3

    NASA Astrophysics Data System (ADS)

    Holm, S. L.; Kreisel, A.; Schäffer, T. K.; Bakke, A.; Bertelsen, M.; Hansen, U. B.; Retuerto, M.; Larsen, J.; Prabhakaran, D.; Deen, P. P.; Yamani, Z.; Birk, J. O.; Stuhr, U.; Niedermayer, Ch.; Fennell, A. L.; Andersen, B. M.; Lefmann, K.

    2018-04-01

    Inelastic neutron scattering has been used to study the magnetoelastic excitations in the multiferroic manganite hexagonal YMnO3. An avoided crossing is found between magnon and phonon modes close to the Brillouin zone boundary in the (a ,b ) plane. Neutron polarization analysis reveals that this mode has mixed magnon-phonon character. An external magnetic field along the c axis is observed to cause a linear field-induced splitting of one of the spin-wave branches. A theoretical description is performed, using a Heisenberg model of localized spins, acoustic phonon modes, and a magnetoelastic coupling via the single-ion magnetostriction. The model quantitatively reproduces the dispersion and intensities of all modes in the full Brillouin zone, describes the observed magnon-phonon hybridized modes, and quantifies the magnetoelastic coupling. The combined information, including the field-induced magnon splitting, allows us to exclude several of the earlier proposed models and point to the correct magnetic ground state symmetry, and provides an effective dynamic model relevant for the multiferroic hexagonal manganites.

  7. Hydrogen-like spectrum of spontaneously created brane universes with de-Sitter ground state

    NASA Astrophysics Data System (ADS)

    Davidson, Aharon

    2018-05-01

    Unification of Randall-Sundrum and Regge-Teitelboim brane cosmologies gives birth to a serendipitous Higgs-deSitter interplay. A localized Dvali-Gabadadze-Porrati scalar field, governed by a particular (analytically derived) double-well quartic potential, becomes a mandatory ingredient for supporting a deSitter brane universe. When upgraded to a general Higgs potential, the brane surface tension gets quantized, resembling a Hydrogen atom spectrum, with deSitter universe serving as the ground state. This reflects the local/global structure of the Euclidean manifold: From finite energy density no-boundary initial conditions, via a novel acceleration divide filter, to exact matching conditions at the exclusive nucleation point. Imaginary time periodicity comes as a bonus, with the associated Hawking temperature vanishing at the continuum limit. Upon spontaneous creation, while a finite number of levels describe universes dominated by a residual dark energy combined with damped matter oscillations, an infinite tower of excited levels undergo a Big Crunch.

  8. Scaling behavior of ground-state energy cluster expansion for linear polyenes

    NASA Astrophysics Data System (ADS)

    Griffin, L. L.; Wu, Jian; Klein, D. J.; Schmalz, T. G.; Bytautas, L.

    Ground-state energies for linear-chain polyenes are additively expanded in a sequence of terms for chemically relevant conjugated substructures of increasing size. The asymptotic behavior of the large-substructure limit (i.e., high-polymer limit) is investigated as a means of characterizing the rapidity of convergence and consequent utility of this energy cluster expansion. Consideration is directed to computations via: simple Hückel theory, a refined Hückel scheme with geometry optimization, restricted Hartree-Fock self-consistent field (RHF-SCF) solutions of fixed bond-length Parisier-Parr-Pople (PPP)/Hubbard models, and ab initio SCF approaches with and without geometry optimization. The cluster expansion in what might be described as the more "refined" approaches appears to lead to qualitatively more rapid convergence: exponentially fast as opposed to an inverse power at the simple Hückel or SCF-Hubbard levels. The substructural energy cluster expansion then seems to merit special attention. Its possible utility in making accurate extrapolations from finite systems to extended polymers is noted.

  9. The quantum n-body problem in dimension d ⩾ n – 1: ground state

    NASA Astrophysics Data System (ADS)

    Miller, Willard, Jr.; Turbiner, Alexander V.; Escobar-Ruiz, M. A.

    2018-05-01

    We employ generalized Euler coordinates for the n body system in dimensional space, which consists of the centre-of-mass vector, relative (mutual) mass-independent distances r ij and angles as remaining coordinates. We prove that the kinetic energy of the quantum n-body problem for can be written as the sum of three terms: (i) kinetic energy of centre-of-mass, (ii) the second order differential operator which depends on relative distances alone and (iii) the differential operator which annihilates any angle-independent function. The operator has a large reflection symmetry group and in variables is an algebraic operator, which can be written in terms of generators of the hidden algebra . Thus, makes sense of the Hamiltonian of a quantum Euler–Arnold top in a constant magnetic field. It is conjectured that for any n, the similarity-transformed is the Laplace–Beltrami operator plus (effective) potential; thus, it describes a -dimensional quantum particle in curved space. This was verified for . After de-quantization the similarity-transformed becomes the Hamiltonian of the classical top with variable tensor of inertia in an external potential. This approach allows a reduction of the dn-dimensional spectral problem to a -dimensional spectral problem if the eigenfunctions depend only on relative distances. We prove that the ground state function of the n body problem depends on relative distances alone.

  10. Entropy Constraints in the Ground State Formation of Magnetically Frustrated Systems

    NASA Astrophysics Data System (ADS)

    Sereni, Julian G.

    2018-01-01

    A systematic modification of the entropy trajectory (S_m(T)) is observed at very low temperature in magnetically frustrated systems as a consequence of the constraint (S_mg 0) imposed by the Nernst postulate. The lack of magnetic order allows to explore and compare new thermodynamic properties by tracing the specific heat (C_m) behavior down to the sub-Kelvin range. Some of the most relevant findings are: (i) a common C_m/T|_{T→ 0} ≈ 7 J/mol K^2 `plateau' in at least five Yb-based very-heavy-fermions (VHF) compounds; (ii) quantitative and qualitative differences between VHF and standard non-Fermi-liquids; (iii) entropy bottlenecks governing the change of S_m(T) trajectories in a continuous transition into alternative ground states. A comparative analysis of S_m(T→ 0) dependencies is performed in compounds suitable for adiabatic demagnetization processes according to their partial ^2 S_m/partial T^2 derivatives.

  11. An Array of Layers in Silicon Sulfides: Chain-like and Ground State Structures

    NASA Astrophysics Data System (ADS)

    Alonso-Lanza, Tomás; Ayuela, Andrés; Aguilera-Granja, Faustino

    While much is known about isoelectronic materials related to carbon nanostructures, such as boron nitride layers and nanotubes, rather less is known about equivalent silicon based materials. Following the recent discovery of phosphorene, we here discuss isoelectronic silicon monosulfide monolayers. We describe a set of anisotropic ground state structures that clearly have a high stability with respect to the near isotropic silicon monosulfide monolayers. The source of the layer anisotropy is related to the presence of Si-S double chains linked by some Si-Si covalent bonds, which lie at the core of the increased stability, together with a remarkable spd hybridization on Si. The involvement of d orbitals brings more variety to silicon-sulfide based nanostructures that are isoelectronic to phosphorene, which could be relevant for future applications, adding extra degrees of freedom. Spanish Ministry of Economy and Competitiveness MINECO, Basque Government (ETORTEK Program 2014), University of the Basque Country (GrantGrant No. IT-366-07) and MPC Material Physics Center - San Sebastián.

  12. Evidence for a dynamical ground state in the frustrated pyrohafnate Tb2Hf2O7

    NASA Astrophysics Data System (ADS)

    Anand, V. K.; Opherden, L.; Xu, J.; Adroja, D. T.; Hillier, A. D.; Biswas, P. K.; Herrmannsdörfer, T.; Uhlarz, M.; Hornung, J.; Wosnitza, J.; Canévet, E.; Lake, B.

    2018-03-01

    We report the physical properties of Tb2Hf2O7 based on ac magnetic susceptibility χac(T ) , dc magnetic susceptibility χ (T ) , isothermal magnetization M (H ) , and heat capacity Cp(T ) measurements combined with muon spin relaxation (μ SR ) and neutron powder diffraction measurements. No evidence for long-range magnetic order is found down to 0.1 K. However, χac(T ) data present a frequency-dependent broad peak (near 0.9 K at 16 Hz) indicating slow spin dynamics. The slow spin dynamics is further evidenced from the μ SR data (characterized by a stretched exponential behavior) which show persistent spin fluctuations down to 0.3 K. The neutron powder diffraction data collected at 0.1 K show a broad peak of magnetic origin (diffuse scattering) but no magnetic Bragg peaks. The analysis of the diffuse scattering data reveals a dominant antiferromagnetic interaction in agreement with the negative Weiss temperature. The absence of long-range magnetic order and the presence of slow spin dynamics and persistent spin fluctuations together reflect a dynamical ground state in Tb2Hf2O7 .

  13. 3,4,5,6-Tetrafluorophenylnitren-2-yl: a ground-state quartet triradical.

    PubMed

    Grote, Dirk; Finke, Christopher; Kossmann, Simone; Neese, Frank; Sander, Wolfram

    2010-04-19

    The photochemistry of 2-iodo-3,4,5,6-tetrafluorophenyl azide (7 d) has been investigated in argon and neon matrices at 4 K, and the products characterized by IR and EPR spectroscopy. The primary photochemical step is loss of a nitrogen molecule and formation of phenyl nitrene 1 d. Further irradiation with UV or visible light results in mixtures of 1 d with azirine 5 d', ketenimine 6 d', nitreno radical 2 d, and azirinyl radical 9. The relative amounts of these products strongly depend on the matrix and on the irradiation conditions. Nitreno radical 2 d with a quartet ground state was characterized by EPR spectroscopy. Electronic structure calculations in combination with the experimental results allow for a detailed understanding of the properties of this unusual new type of organic high-spin molecules. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Theoretical approach to the ground state of spherically confined Yukawa plasmas

    NASA Astrophysics Data System (ADS)

    Henning, Christian; Bonitz, Michael; Piel, Alexander; Ludwig, Patrick; Baumgartner, Henning

    2007-11-01

    Recently spherical 3D dust crystals (aka Yukawa balls) were discovered [1], which allow direct observation of strong correlation phenomena and the structure of which is well explained by computer simulations of charged Yukawa interacting particles within an external parabolic confinement [2]. Here we present an analytical approach to the ground state of these systems using the minimization of the system's energy. Applying the non-local mean-field approximation we show that screening has a dramatic effect on the density profile, which can be derived explicitly [3]. In addition the local density approximation allows for the inclusion of correlations, which further improves the results in the regime of large screening [4]. Comparisons with MD simulations of Yukawa balls show excellent agreement.[1] O. Arp et al. Phys. Rev. Lett. 93, 165004 (2004)[2] M. Bonitz et al., Phys. Rev. Lett. 96, 075001 (2006)[3] C. Henning et al., Phys. Rev. E 74, 056403 (2006)[4] C. Henning at al., Phys. Rev. E (2007)

  15. Variational Calculation of the Ground State of Closed-Shell Nuclei Up to $A$ = 40

    DOE PAGES

    Lonardoni, Diego; Lovato, Alessandro; Pieper, Steven C.; ...

    2017-08-31

    Variational calculations of ground-state properties of 4He, 16O and 40Ca are carried out employing realistic phenomenological two- and three-nucleon potentials. The trial wave function includes twoand three-body correlations acting on a product of single-particle determinants. Expectation values are evaluated with a cluster expansion for the spin-isospin dependent correlations considering up to five-body cluster terms. The optimal wave function is obtained by minimizing the energy expectation value over a set of up to 20 parameters by means of a nonlinear optimization library. We present results for the binding energy, charge radius, point density, single-nucleon momentum distribution, charge form factor, and Coulombmore » sum rule. We find that the employed three-nucleon interaction becomes repulsive for A ≥ 16. In 16O the inclusion of such a force provides a better description of the properties of the nucleus. In 40Ca instead, the repulsive behavior of the three-body interaction fails to reproduce experimental data for the charge radius and the charge form factor. We find that the high-momentum region of the momentum distributions, determined by the short-range terms of nuclear correlations, exhibit a universal behavior independent of the particular nucleus. The comparison of the Coulomb sum rules for 4He, 16O, and 40Ca reported in this work will help elucidate in-medium modifications of the nucleon form factors.« less

  16. Application of artificial intelligence to search ground-state geometry of clusters

    NASA Astrophysics Data System (ADS)

    Lemes, Maurício Ruv; Marim, L. R.; dal Pino, A.

    2002-08-01

    We introduce a global optimization procedure, the neural-assisted genetic algorithm (NAGA). It combines the power of an artificial neural network (ANN) with the versatility of the genetic algorithm. This method is suitable to solve optimization problems that depend on some kind of heuristics to limit the search space. If a reasonable amount of data is available, the ANN can ``understand'' the problem and provide the genetic algorithm with a selected population of elements that will speed up the search for the optimum solution. We tested the method in a search for the ground-state geometry of silicon clusters. We trained the ANN with information about the geometry and energetics of small silicon clusters. Next, the ANN learned how to restrict the configurational space for larger silicon clusters. For Si10 and Si20, we noticed that the NAGA is at least three times faster than the ``pure'' genetic algorithm. As the size of the cluster increases, it is expected that the gain in terms of time will increase as well.

  17. FAST TRACK COMMUNICATION: Reinterpreting the Cu Pd phase diagram based on new ground-state predictions

    NASA Astrophysics Data System (ADS)

    Bärthlein, S.; Hart, G. L. W.; Zunger, A.; Müller, S.

    2007-01-01

    Our notions of the phase stability of compounds rest to a large extent on the experimentally assessed phase diagrams. Long ago, it was assumed that in the Cu-Pd system for xPd<=25% there are at least two phases at high temperature (L12 and a L12-based superstructure), which evolve into a single L12-ordered phase at low temperature. By constructing a first-principles Hamiltonian, we predict a yet undiscovered Cu7Pd ground state at xPd = 12.5% (referred to as S1 below) and an L12-like Cu9Pd3 superstructure at 25% (referred to as S2). We find that in the low-temperature regime, a single L12 phase cannot be stable, even with the addition of anti-sites. Instead we find that an S2-phase with S1-like ordering tendency will form. Previous short-range order diffraction data are quantitatively consistent with these new predictions.

  18. Systematics of nuclear ground state properties in 78-100Sr by laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Buchinger, F.; Ramsay, E. B.; Arnold, E.; Neu, W.; Neugart, R.; Wendt, K.; Silverans, R. E.; Lievens, P.; Vermeeren, L.; Berdichevsky, D.; Fleming, R.; Sprung, D. W. L.; Ulm, G.

    1990-06-01

    Hyperfine structures and isotope shifts of strontium isotopes with A=78 to A=98 and A=100 were measured by collinear fast beam laser spectroscopy. Nuclear spins, moments and changes in mean square charge radii are extracted from the data. The spins and moments of most of the odd isotopes are explained in the framework of the single particle model. The changes in mean square charge radii are compared with predictions of the droplet model and of Hartree-Fock-plus-BCS calculations. For the isotopes in the transitional regions below and above the N=50 shell closure, the inclusion of quadrupole zero point motion in the Droplet model describes part of the observed shell effect. An additional change in the surface region of the charge distribution at spherical shape is suggested by the microscopic model. Furthermore, we propose that the isotopes 78Sr and 80Sr may show an unusual shape-sharing structure, with different mean deformations in the ground and 2+1 excited states.

  19. Ground state atoms confined in a real Rydberg and complex Rydberg-Scarf II potential

    NASA Astrophysics Data System (ADS)

    Mansoori Kermani, Maryam

    2017-12-01

    In this work, a system of two ground state atoms confined in a one-dimensional real Rydberg potential was modeled. The atom-atom interaction was considered as a nonlocal separable potential (NLSP) of rank one. This potential was assumed because it leads to an analytical solution of the Lippmann-Schwinger equation. The NLSPs are useful in the few body problems that the many-body potential at each point is replaced by a projective two-body nonlocal potential operator. Analytical expressions for the confined particle resolvent were calculated as a key function in this study. The contributions of the bound and virtual states in the complex energy plane were obtained via the derived transition matrix. Since the low energy quantum scattering problems scattering length is an important quantity, the behavior of this parameter was described versus the reduced energy considering various values of potential parameters. In a one-dimensional model, the total cross section in units of the area is not a meaningful property; however, the reflectance coefficient has a similar role. Therefore the reflectance probability and its behavior were investigated. Then a new confined potential via combining the complex absorbing Scarf II potential with the real Rydberg potential, called the Rydberg-Scarf II potential, was introduced to construct a non-Hermitian Hamiltonian. In order to investigate the effect of the complex potential, the scattering length and reflectance coefficient were calculated. It was concluded that in addition to the competition between the repulsive and attractive parts of both potentials, the imaginary part of the complex potential has an important effect on the properties of the system. The complex potential also reduces the reflectance probability via increasing the absorption probability. For all numerical computations, the parameters of a system including argon gas confined in graphite were considered.

  20. Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

    PubMed

    Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao

    2017-09-21

    To describe static correlation, we develop a new approach to density functional theory (DFT), which uses a generalized auxiliary system that is of a different symmetry, such as particle number or spin, from that of the physical system. The total energy of the physical system consists of two parts: the energy of the auxiliary system, which is determined with a chosen density functional approximation (DFA), and the excitation energy from an approximate linear response theory that restores the symmetry to that of the physical system, thus rigorously leading to a multideterminant description of the physical system. The electron density of the physical system is different from that of the auxiliary system and is uniquely determined from the functional derivative of the total energy with respect to the external potential. Our energy functional is thus an implicit functional of the physical system density, but an explicit functional of the auxiliary system density. We show that the total energy minimum and stationary states, describing the ground and excited states of the physical system, can be obtained by a self-consistent optimization with respect to the explicit variable, the generalized Kohn-Sham noninteracting density matrix. We have developed the generalized optimized effective potential method for the self-consistent optimization. Among options of the auxiliary system and the associated linear response theory, reformulated versions of the particle-particle random phase approximation (pp-RPA) and the spin-flip time-dependent density functional theory (SF-TDDFT) are selected for illustration of principle. Numerical results show that our multireference DFT successfully describes static correlation in bond dissociation and double bond rotation.

  1. High-Order Coupled Cluster Method (CCM) Calculations for Quantum Magnets with Valence-Bond Ground States

    NASA Astrophysics Data System (ADS)

    Farnell, D. J. J.; Richter, J.; Zinke, R.; Bishop, R. F.

    2009-04-01

    In this article, we prove that exact representations of dimer and plaquette valence-bond ket ground states for quantum Heisenberg antiferromagnets may be formed via the usual coupled cluster method (CCM) from independent-spin product (e.g. Néel) model states. We show that we are able to provide good results for both the ground-state energy and the sublattice magnetization for dimer and plaquette valence-bond phases within the CCM. As a first example, we investigate the spin-half J 1- J 2 model for the linear chain, and we show that we are able to reproduce exactly the dimerized ground (ket) state at J 2/ J 1=0.5. The dimerized phase is stable over a range of values for J 2/ J 1 around 0.5, and results for the ground-state energies are in good agreement with the results of exact diagonalizations of finite-length chains in this regime. We present evidence of symmetry breaking by considering the ket- and bra-state correlation coefficients as a function of J 2/ J 1. A radical change is also observed in the behavior of the CCM sublattice magnetization as we enter the dimerized phase. We then consider the Shastry-Sutherland model and demonstrate that the CCM can span the correct ground states in both the Néel and the dimerized phases. Once again, very good results for the ground-state energies are obtained. We find CCM critical points of the bra-state equations that are in agreement with the known phase transition point for this model. The results for the sublattice magnetization remain near to the "true" value of zero over much of the dimerized regime, although they diverge exactly at the critical point. Finally, we consider a spin-half system with nearest-neighbor bonds for an underlying lattice corresponding to the magnetic material CaV4O9 (CAVO). We show that we are able to provide excellent results for the ground-state energy in each of the plaquette-ordered, Néel-ordered, and dimerized regimes of this model. The exact plaquette and dimer ground states are

  2. Ground and excited state dipole moments of some flavones using solvatochromic methods: An experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Kumar, Sanjay; Kapoor, Vinita; Bansal, Ritu; Tandon, H. C.

    2018-03-01

    The absorption and fluorescence characteristics of biologically active flavone derivatives 6-Hydroxy-7,3‧,4‧,5‧-tetramethoxyflavone (6HTMF) and 7-Hydroxy-6,3‧,4‧,5‧-tetramethoxyflavone (7HTMF) are studied at room temperature (298 K) in solvents of different polarities. Excited state dipole moments of these compounds have been determined using the solvatochromic shift method based on the microscopic solvent polarity parameter ETN . Dipole moments in excited state were found to be higher than those in the ground state in both the molecules. A reasonable agreement has been observed between experimental and theoretically calculated dipole moments (using AM1 method). Slightly large value of ground and excited state dipole moments of 7HTMF than 6HTMF are in conformity with predicted electrostatic potential maps. Our results would be helpful in understanding use of these compounds as tunable dye lasers, optical brighteners and biosensors.

  3. On the vibronic level structure in the NO3 radical. Part III. Observation of intensity borrowing via ground state mixing.

    PubMed

    Stanton, John F; Okumura, Mitchio

    2009-06-21

    The A(2)E''<-- X(2)A'(2) absorption spectrum exhibits vibronically allowed transitions from the ground state of NO(3) to upper state levels having a''(1) and e' vibronic symmetries. This paper explores the coupling mechanisms that lend intensities to these features. While transitions to e' vibronic levels borrow intensity from the very strong B(2)E'<-- X(2)A'(2) electronic transition, those to a''(1) levels involve only negligible upper-state borrowing effects. Rather, it is the vibronic mixing of the ground vibronic level of NO(3) with vibrational levels in the B(2)E' electronic state that permit the a''(1) levels to be seen in the spectrum. These ideas are supported by vibronic coupling calculations. The fact that the intensities of features corresponding to the two different vibronic symmetries are comparable is thus accidental.

  4. Ground Motion Prediction Equations for the Central and Eastern United States

    NASA Astrophysics Data System (ADS)

    Seber, D.; Graizer, V.

    2015-12-01

    New ground motion prediction equations (GMPE) G15 model for the Central and Eastern United States (CEUS) is presented. It is based on the modular filter based approach developed by Graizer and Kalkan (2007, 2009) for active tectonic environment in the Western US (WUS). The G15 model is based on the NGA-East database for the horizontal peak ground acceleration and 5%-damped pseudo spectral acceleration RotD50 component (Goulet et al., 2014). In contrast to active tectonic environment the database for the CEUS is not sufficient for creating purely empirical GMPE covering the range of magnitudes and distances required for seismic hazard assessments. Recordings in NGA-East database are sparse and cover mostly range of M<6.0 with limited amount of near-fault recordings. The functional forms of the G15 GMPEs are derived from filters—each filter represents a particular physical phenomenon affecting the seismic wave radiation from the source. Main changes in the functional forms for the CEUS relative to the WUS model (Graizer and Kalkan, 2015) are a shift of maximum frequency of the acceleration response spectrum toward higher frequencies and an increase in the response spectrum amplitudes at high frequencies. Developed site correction is based on multiple runs of representative VS30 profiles through SHAKE-type equivalent-linear programs using time histories and random vibration theory approaches. Site amplification functions are calculated for different VS30 relative to hard rock definition used in nuclear industry (Vs=2800 m/s). The number of model predictors is limited to a few measurable parameters: moment magnitude M, closest distance to fault rupture plane R, average shear-wave velocity in the upper 30 m of the geological profile VS30, and anelastic attenuation factor Q0. Incorporating anelastic attenuation Q0 as an input parameter allows adjustments based on the regional crustal properties. The model covers the range of magnitudes 4.0

  5. Case Study for the ARRA-Funded Ground Source Heat Pump Demonstration at Ball State University

    SciTech Connect

    Im, Piljae; Liu, Xiaobing; Henderson, Jr., Hugh

    With funding provided by the American Recovery and Reinvestment Act (ARRA), 26 ground-source heat pump (GSHP) projects were competitively selected in 2009 to demonstrate the benefits of GSHP systems and innovative technologies for cost reduction and/or performance improvement. One of the selected demonstration projects is a district central GSHP system installed at Ball State University (BSU) in Muncie, IN. Prior to implementing the district GSHP system, 47 major buildings in BSU were served by a central steam plant with four coal-fired and three natural-gas-fired steam boilers. Cooling was provided by five water-cooled centrifugal chillers at the District Energy Station Southmore » (DESS). The new district GSHP system replaced the existing coal-fired steam boilers and conventional water-cooled chillers. It uses ground-coupled heat recovery (HR) chillers to meet the simultaneous heating and cooling demands of the campus. The actual performance of the GSHP system was analyzed based on available measured data from August 2015 through July 2016, construction drawings, maintenance records, personal communications, and construction costs. Since Phase 1 was funded in part by the ARRA grant, it is the focus of this case study. The annual energy consumption of the GSHP system was calculated based on the available measured data and other related information. It was compared with the performance of a baseline scenario— a conventional water-cooled chiller and natural-gas-fired boiler system, both of which meet the minimum energy efficiencies allowed by the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE 90.1-2013). The comparison was made to determine source energy savings, energy cost savings, and CO2 emission reductions achieved by the GSHP system. A cost analysis was performed to evaluate the simple payback of the GSHP system. The following sections summarize the results of the analysis, the lessons learned, and recommendations for

  6. Using Uncertainty Principle to Find the Ground-State Energy of the Helium and a Helium-like Hookean Atom

    ERIC Educational Resources Information Center

    Harbola, Varun

    2011-01-01

    In this paper, we accurately estimate the ground-state energy and the atomic radius of the helium atom and a helium-like Hookean atom by employing the uncertainty principle in conjunction with the variational approach. We show that with the use of the uncertainty principle, electrons are found to be spread over a radial region, giving an electron…

  7. Ground-state phase diagram of an anisotropic spin-1/2 model on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Luo, Qiang; Hu, Shijie; Xi, Bin; Zhao, Jize; Wang, Xiaoqun

    2017-04-01

    Motivated by a recent experiment on the rare-earth material YbMgGaO4 [Y. Li et al., Phys. Rev. Lett. 115, 167203 (2015), 10.1103/PhysRevLett.115.167203], which found that the ground state of YbMgGaO4 is a quantum spin liquid, we study the ground-state phase diagram of an anisotropic spin-1 /2 model that was proposed to describe YbMgGaO4. Using the density matrix renormalization-group method in combination with the exact-diagonalization method, we calculate a variety of physical quantities, including the ground-state energy, the fidelity, the entanglement entropy and spin-spin correlation functions. Our studies show that in the quantum phase diagram, there is a 120∘ phase and two distinct stripe phases. The transitions from the two stripe phases to the 120∘ phase are of the first order. However, the transition between the two stripe phases is not of the first order, which is different from its classical counterpart. Additionally, we find no evidence for a quantum spin liquid in this model. Our results suggest that additional terms may also be important to model the material YbMgGaO4. These findings will stimulate further experimental and theoretical works in understanding the quantum spin-liquid ground state in YbMgGaO4.

  8. Orbital Exponent Optimization in Elementary VB Calculations of the Chemical Bond in the Ground State of Simple Molecular Systems

    ERIC Educational Resources Information Center

    Magnasco, Valerio

    2008-01-01

    Orbital exponent optimization in the elementary ab-initio VB calculation of the ground states of H[subscript 2][superscript +], H[subscript 2], He[subscript 2][superscript +], He[subscript 2] gives a fair description of the exchange-overlap component of the interatomic interaction that is important in the bond region. Correct bond lengths and…

  9. Satellite and Ground Communication Systems: Space and Electronic Warfare Threats to the United States Army

    DTIC Science & Technology

    2017-02-01

    communication satellites—operating high above the earth and at higher frequencies —are often better suited to communicate across much longer distances and...Satellite and Ground Communication Systems: Space and Electronic Warfare Threats to the...TYPE SAMS Monograph 3. DATES COVERED (From - To) JUN 2016 – MAY 2017 4. TITLE AND SUBTITLE Satellite and Ground Communication Systems: Space and

  10. Ground-water resources in the tri-state region adjacent to the Lower Delaware River

    USGS Publications Warehouse

    Barksdale, Henry C.; Greenman, David W.; Lang, Solomon Max; Hilton, George Stockbridge; Outlaw, Donald E.

    1958-01-01

    The maximum beneficial utilization of the ground-water resources cannot be accomplished in haphazard fashion. It must be planned and controlled on the basis of sound, current information about the hydrology of the various aquifers. Continued and, in some areas, intensified investigations of the ground-water resources of the region should form the basis for such planning and control.

  11. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    PubMed

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  12. Ground beef handling and cooking practices in restaurants in eight States.

    PubMed

    Bogard, April K; Fuller, Candace C; Radke, Vincent; Selman, Carol A; Smith, Kirk E

    2013-12-01

    Eating in table-service restaurants has been implicated as a risk factor for Escherichia coli O157:H7 infection. To explore this association and learn about the prevalence of risky ground beef preparation practices in restaurants, the Environmental Health Specialists Network (EHS-Net) assessed ground beef handling policies and practices in restaurants in California, Colorado, Connecticut, Georgia, Minnesota, New York, Oregon, and Tennessee. Eligible restaurants prepared and served hamburgers. EHS-Net specialists interviewed a restaurant employee with authority over the kitchen (defined as the manager) using a standard questionnaire about food safety policies, hamburger preparation policies, and use of irradiated ground beef. Interviews were followed by observations of ground beef preparation. Data from 385 restaurants were analyzed: 67% of the restaurants were independently owned and 33% were chain restaurants; 75% of the restaurants were sit down, 19% were quick service or fast food, and 6% were cafeteria or buffet restaurants. Eighty-one percent of restaurants reported determining doneness of hamburgers by one or more subjective measures, and 49% reported that they never measure the final cook temperatures of hamburgers. At least two risky ground beef handling practices were observed in 53% of restaurants. Only 1% of restaurants reported purchasing irradiated ground beef, and 29% were unfamiliar with irradiated ground beef. Differences in risky ground beef handling policies and practices were noted for type of restaurant ownership (independently owned versus chain) and type of food service style (sit down versus quick service or fast food). This study revealed the pervasiveness of risky ground beef handling policies and practices in restaurants and the need for educational campaigns targeting food workers and managers. These results highlight the importance of continued efforts to reduce the prevalence of E. coli O157:H7 in ground beef.

  13. A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states

    SciTech Connect

    Yost, Shane R.; Kowalczyk, Tim; Van Voorhis, Troy, E-mail: tvan@mit.edu

    2013-11-07

    In this article we propose the ΔSCF(2) framework, a multireference strategy based on second-order perturbation theory, for ground and excited electronic states. Unlike the complete active space family of methods, ΔSCF(2) employs a set of self-consistent Hartree-Fock determinants, also known as ΔSCF states. Each ΔSCF electronic state is modified by a first-order correction from Møller-Plesset perturbation theory and used to construct a Hamiltonian in a configuration interactions like framework. We present formulas for the resulting matrix elements between nonorthogonal states that scale as N{sub occ}{sup 2}N{sub virt}{sup 3}. Unlike most active space methods, ΔSCF(2) treats the ground and excited statemore » determinants even-handedly. We apply ΔSCF(2) to the H{sub 2}, hydrogen fluoride, and H{sub 4} systems and show that the method provides accurate descriptions of ground- and excited-state potential energy surfaces with no single active space containing more than 10 ΔSCF states.« less

  14. Prospects for transferring 87Rb84Sr dimers to the rovibrational ground state based on calculated molecular structures

    NASA Astrophysics Data System (ADS)

    Chen, Tao; Zhu, Shaobing; Li, Xiaolin; Qian, Jun; Wang, Yuzhu

    2014-06-01

    Using fitted model potential curves of the ground and lowest three excited states yielded by the relativistic Kramers-restricted multireference configuration interaction method with 19 electrons correlated, we theoretically investigate the rovibrational properties including the number of vibrational state and diagonally distributed Franck-Condon factors for a 87Rb84Sr molecule. Benefiting from a turning point at about v'=20 for the Franck-Condon factors between the ground state and spin-orbit 2(Ω=1/2) excited state, we choose |2(Ω=1/2),v'=21,J'=1> as the intermediate state in the three-level model to theoretically analyze the possibility of performing stimulated Raman adiabatic passage to transfer weakly bound RbSr molecules to the rovibrational ground state. With 1550 nm pump laser (2 W/cm2) and 1342 nm dump laser (10 mW/cm2) employed and appropriate settings of pulse time length (about 300 μs), we have formalistically achieved a round-trip transfer efficiency of 60%, namely 77% for one-way transfer. The results demonstrate the possibility of producing polar 87Rb84Sr molecules efficiently in a submicrokelvin regime, and further provide promising directions for future theoretical and experimental studies on alkali-alkaline(rare)-earth dimers.

  15. Absolute neutrino mass measurements

    SciTech Connect

    Wolf, Joachim

    2011-10-06

    The neutrino mass plays an important role in particle physics, astrophysics and cosmology. In recent years the detection of neutrino flavour oscillations proved that neutrinos carry mass. However, oscillation experiments are only sensitive to the mass-squared difference of the mass eigenvalues. In contrast to cosmological observations and neutrino-less double beta decay (0v2{beta}) searches, single {beta}-decay experiments provide a direct, model-independent way to determine the absolute neutrino mass by measuring the energy spectrum of decay electrons at the endpoint region with high accuracy.Currently the best kinematic upper limits on the neutrino mass of 2.2eV have been set by two experiments inmore » Mainz and Troitsk, using tritium as beta emitter. The next generation tritium {beta}-experiment KATRIN is currently under construction in Karlsruhe/Germany by an international collaboration. KATRIN intends to improve the sensitivity by one order of magnitude to 0.2eV. The investigation of a second isotope ({sup 137}Rh) is being pursued by the international MARE collaboration using micro-calorimeters to measure the beta spectrum. The technology needed to reach 0.2eV sensitivity is still in the R and D phase. This paper reviews the present status of neutrino-mass measurements with cosmological data, 0v2{beta} decay and single {beta}-decay.« less

  16. Trends in Ground-State Entropies for Transition Metal Based Hydrogen Atom Transfer Reactions

    PubMed Central

    Mader, Elizabeth A.; Manner, Virginia W.; Markle, Todd F.; Wu, Adam; Franz, James A.; Mayer, James M.

    2009-01-01

    Reported herein are thermochemical studies of hydrogen atom transfer (HAT) reactions involving transition metal H-atom donors MIILH and oxyl radicals. [FeII(H2bip)3]2+, [FeII(H2bim)3]2+, [CoII(H2bim)3]2+ and RuII(acac)2(py-imH) [H2bip = 2,2’-bi-1,4,5,6-tetrahydropyrimidine, H2bim = 2,2’-bi-imidazoline, acac = 2,4-pentandionato, py-imH = 2-(2’-pyridyl)-imidazole)] each react with TEMPO (2,2,6,6-tetramethyl-1-piperidinoxyl) or tBu3PhO• (2,4,6-tri-tert-butylphenoxyl) to give the deprotonated, oxidized metal complex MIIIL, and TEMPOH or tBu3PhOH. Solution equilibrium measurements for the reaction of [CoII(H2bim)3]2+ with TEMPO show a large, negative ground-state entropy for hydrogen atom transfer, −41 ± 2 cal mol−1 K−1. This is even more negative than the ΔSoHAT = −30 ± 2 cal mol−1 K−1 for the two iron complexes and the ΔSoHAT for RuII(acac)2(py-imH) + TEMPO, 4.9 ± 1.1 cal mol−1 K−1, as reported earlier. Calorimetric measurements quantitatively confirm the enthalpy of reaction for [FeII(H2bip)3]2+ + TEMPO, thus also confirming ΔSoHAT. Calorimetry on TEMPOH + tBu3PhO• gives ΔHoHAT = −11.2 ± 0.5 kcal mol−1 which matches the enthalpy predicted from the difference in literature solution BDEs. A brief evaluation of the literature thermochemistry of TEMPOH and tBu3PhOH supports the common assumption that ΔSoHAT ≈ 0 for HAT reactions of organic and small gas-phase molecules. However, this assumption does not hold for transition metal based HAT reactions. The trend in magnitude of |ΔSoHAT| for reactions with TEMPO, RuII(acac)2(py-imH) << [FeII(H2bip)3]2+ = [FeII(H2bim)3]2+ < [CoII(H2bim)3]2+, is surprisingly well predicted by the trends for electron transfer half-reaction entropies, ΔSoET, in aprotic solvents. This is because both ΔSoET and ΔSoHAT have substantial contributions from vibrational entropy, which varies significantly with the metal center involved. The close connection between ΔSoHAT and ΔSoET provides an important

  17. Ground-water recharge in the arid and semiarid southwestern United States - Climatic and geologic framework: Chapter A in Ground-water recharge in the arid and semiarid southwestern United States (Professional Paper 1703)

    USGS Publications Warehouse

    Stonestrom, David A.; Harrill, James R.; Stonestrom, David A.; Constantz, Jim; Ferré, Ty P.A.; Leake, Stanley A.

    2007-01-01

    Ground-water recharge in the arid and semiarid southwestern United States results from the complex interplay of climate, geology, and vegetation across widely ranging spatial and temporal scales. Present-day recharge tends to be narrowly focused in time and space. Widespread water-table declines accompanied agricultural development during the twentieth century, demonstrating that sustainable ground-water supplies are not guaranteed when part of the extracted resource represents paleorecharge. Climatic controls on ground-water recharge range from seasonal cycles of summer monsoonal and winter frontal storms to multimillennial cycles of glacial and interglacial periods. Precipitation patterns reflect global-scale interactions among the oceans, atmosphere, and continents. Large-scale climatic influences associated with El Niño and Pacific Decadal Oscillations strongly but irregularly control weather in the study area, so that year-to-year variations in precipitation and ground-water recharge are large and difficult to predict. Proxy data indicate geologically recent periods of multidecadal droughts unlike any in the modern instrumental record. Anthropogenically induced climate change likely will reduce ground-water recharge through diminished snowpack at higher elevations, and perhaps through increased drought. Future changes in El Niño and monsoonal patterns, both crucial to precipitation in the study area, are highly uncertain in current models. Land-use modifications influence ground-water recharge directly through vegetation, irrigation, and impermeable area, and indirectly through climate change. High ranges bounding the study area—the San Bernadino Mountains and Sierra Nevada to the west, and the Wasatch and southern Colorado Rocky Mountains to the east—provide external geologic controls on ground-water recharge. Internal geologic controls stem from tectonic processes that led to numerous, variably connected alluvial-filled basins, exposure of extensive

  18. Fatal injuries among grounds maintenance workers: United States, 2003--2008.

    PubMed

    2011-05-06

    A total of 1,142 grounds maintenance workers (GMWs) were fatally injured at work during 2003--2008, an average of 190 each year. GMWs accounted for 3.4% of all occupational fatalities, and 31% of those GMWs were Hispanic or Latino. Approximately 83% of the Hispanic or Latino GMWs who died were born outside the United States. In 2008, approximately 1.52 million persons were employed as GMWs, constituting 1.0% of the U.S. workforce. During 2003--2007, an average of 13.3 per 100,000 employed GMWs died each year, compared with an overall rate of 4.0 fatalities per 100,000 U.S. workers. The rate of on-the-job fatal injuries among GMWs has remained elevated relative to other workers for >20 years. This report characterizes events leading to GMW fatalities and differences in fatality characteristics across demographic groups among GMWs, based on an evaluation of 2003--2008 data from the U.S. Department of Labor's Bureau of Labor Statistics (BLS) Census of Fatal Occupational Injuries (CFOI) program. The report also identifies workplace interventions that might reduce the incidence of fatal injuries. Major events leading to GMW occupational fatalities included transportation incidents (31%), contact with objects and equipment (25%), falls (23%), and traumatic acute exposures to harmful substances or environments (e.g., electrocution and drowning) (16%). To reduce the incidence of such fatalities, employers, trade and worker associations, and policy makers should focus on effective, targeted workplace safety interventions such as frequent hazard identification and training for specific hazards. Diversity among the populations of workers requires use of culture- and language-appropriate training techniques as part of comprehensive injury and illness prevention programs.

  19. Ground States of Random Spanning Trees on a D-Wave 2X

    NASA Astrophysics Data System (ADS)

    Hall, J. S.; Hobl, L.; Novotny, M. A.; Michielsen, Kristel

    The performances of two D-Wave 2 machines (476 and 496 qubits) and of a 1097-qubit D-Wave 2X were investigated. Each chip has a Chimera interaction graph calG . Problem input consists of values for the fields hj and for the two-qubit interactions Ji , j of an Ising spin-glass problem formulated on calG . Output is returned in terms of a spin configuration {sj } , with sj = +/- 1 . We generated random spanning trees (RSTs) uniformly distributed over all spanning trees of calG . On the 476-qubit D-Wave 2, RSTs were generated on the full chip with Ji , j = - 1 and hj = 0 and solved one thousand times. The distribution of solution energies and the average magnetization of each qubit were determined. On both the 476- and 1097-qubit machines, four identical spanning trees were generated on each quadrant of the chip. The statistical independence of these regions was investigated. In another study, on the D-Wave 2X, one hundred RSTs with random Ji , j ∈ { - 1 , 1 } and hj = 0 were generated on the full chip. Each RST problem was solved one hundred times and the number of times the ground state energy was found was recorded. This procedure was repeated for square subgraphs, with dimensions ranging from 7 ×7 to 11 ×11. Supported in part by NSF Grants DGE-0947419 and DMR-1206233. D-Wave time provided by D-Wave Systems and by the USRA Quantum Artificial Intelligence Laboratory Research Opportunity.

  20. Chain and ladder models with two-body interactions and analytical ground states

    NASA Astrophysics Data System (ADS)

    Manna, Sourav; Nielsen, Anne E. B.

    2018-05-01

    We consider a family of spin-1 /2 models with few-body, SU(2)-invariant Hamiltonians and analytical ground states related to the one-dimensional (1D) Haldane-Shastry wave function. The spins are placed on the surface of a cylinder, and the standard 1D Haldane-Shastry model is obtained by placing the spins with equal spacing in a circle around the cylinder. Here, we show that another interesting family of models with two-body exchange interactions is obtained if we instead place the spins along one or two lines parallel to the cylinder axis, giving rise to chain and ladder models, respectively. We can change the scale along the cylinder axis without changing the radius of the cylinder. This gives us a parameter that controls the ratio between the circumference of the cylinder and all other length scales in the system. We use Monte Carlo simulations and analytical investigations to study how this ratio affects the properties of the models. If the ratio is large, we find that the two legs of the ladder decouple into two chains that are in a critical phase with Haldane-Shastry-like properties. If the ratio is small, the wave function reduces to a product of singlets. In between, we find that the behavior of the correlations and the Renyi entropy depends on the distance considered. For small distances the behavior is critical, and for long distances the correlations decay exponentially and the entropy shows an area law behavior. The distance up to which there is critical behavior gets larger as the ratio increases.

  1. Embryonic germ cells from mice and rats exhibit properties consistent with a generic pluripotent ground state

    PubMed Central

    Leitch, Harry G.; Blair, Kate; Mansfield, William; Ayetey, Harold; Humphreys, Peter; Nichols, Jennifer; Surani, M. Azim; Smith, Austin

    2010-01-01

    Mouse and rat embryonic stem cells can be sustained in defined medium by dual inhibition (2i) of the mitogen-activated protein kinase (Erk1/2) cascade and of glycogen synthase kinase 3. The inhibitors suppress differentiation and enable self-renewal of pluripotent cells that are ex vivo counterparts of naïve epiblast cells in the mature blastocyst. Pluripotent stem cell lines can also be derived from unipotent primordial germ cells via a poorly understood process of epigenetic reprogramming. These are termed embryonic germ (EG) cells to denote their distinct origin. Here we investigate whether EG cell self-renewal and derivation are supported by 2i. We report that mouse EG cells can be established with high efficiency using 2i in combination with the cytokine leukaemia inhibitory factor (LIF). Furthermore, addition of fibroblast growth factor or stem cell factor is unnecessary using 2i-LIF. The derived EG cells contribute extensively to healthy chimaeric mice, including to the germline. Using the same conditions, we describe the first derivations of EG cells from the rat. Rat EG cells express a similar marker profile to rat and mouse ES cells. They have a diploid karyotype, can be clonally expanded and genetically manipulated, and are competent for multilineage colonisation of chimaeras. These findings lend support to the postulate of a conserved molecular ground state in pluripotent rodent cells. Future research will determine the extent to which this is maintained in other mammals and whether, in some species, primordial germ cells might be a more tractable source than epiblast for the capture of naïve pluripotent stem cells. PMID:20519324

  2. Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+.

    PubMed

    Antonov, Ivan O; Barker, Beau J; Heaven, Michael C

    2011-01-28

    The ground electronic state of BeOBe(+) was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is (2)Σ(g)(+). Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm(-1)] was refined over previous measurements. Results from recent theoretical calculations for BeOBe(+) (multireference configuration interaction) were found to be in good agreement with the experimental data.

  3. A toy model to investigate the existence of excitons in the ground state of strongly-correlated semiconductor

    NASA Astrophysics Data System (ADS)

    Karima, H. R.; Majidi, M. A.

    2018-04-01

    Excitons, quasiparticles associated with bound states between an electron and a hole and are typically created when photons with a suitable energy are absorbed in a solid-state material. We propose to study a possible emergence of excitons, created not by photon absorption but the effect of strong electronic correlations. This study is motivated by a recent experimental study of a substrate material SrTiO3 (STO) that reveals strong exitonic signals in its optical conductivity. Here we conjecture that some excitons may already exist in the ground state as a result of the electronic correlations before the additional excitons being created later by photon absorption. To investigate the existence of excitons in the ground state, we propose to study a simple 4-energy-level model that mimics a situation in strongly-correlated semiconductors. The four levels are divided into two groups, lower and upper groups separated by an energy gap, Eg , mimicking the valence and the conduction bands, respectively. Further, we incorporate repulsive Coulomb interactions between the electrons. The model is then solved by exact diagonalization method. Our result shows that the toy model can demonstrate band gap widening or narrowing and the existence of exciton in the ground state depending on interaction parameter values.

  4. Pump-dump-probe and pump-repump-probe ultrafast spectroscopy resolves cross section of an early ground state intermediate and stimulated emission in the photoreactions of the Pr ground state of the cyanobacterial phytochrome Cph1.

    PubMed

    Fitzpatrick, Ann E; Lincoln, Craig N; van Wilderen, Luuk J G W; van Thor, Jasper J

    2012-01-26

    The primary photoreactions of the red absorbing ground state (Pr) of the cyanobacterial phytochrome Cph1 from Synechocystis PCC 6803 involve C15═C16 Z-E photoisomerization of its phycocyanobilin chromophore. The first observable product intermediate in pump-probe measurements of the photocycle, "Lumi-R", is formed with picosecond kinetics and involves excited state decay reactions that have 3 and 14 ps time constants. Here, we have studied the photochemical formation of the Lumi-R intermediate using multipulse picosecond visible spectroscopy. Pump-dump-probe (PDP) and pump-repump-probe (PRP) experiments were carried out by employing two femtosecond visible pulses with 1, 14, and 160 ps delays, together with a broadband dispersive visible probe. The time delays between the two excitation pulses have been selected to allow interaction with the dominant (3 and 14 ps) kinetic phases of Lumi-R formation. The frequency dependence of the PDP and PRP amplitudes was investigated at 620, 640, 660, and 680 nm, covering excited state absorption (λ(max) = 620 nm), ground state absorption (λ(max) = 660 nm), and stimulated emission (λ(max) = 680 nm) cross sections. Experimental double difference transient absorbance signals (ΔΔOD), from the PDP and PRP measurements, required corrections to remove contributions from ground state repumping. The sensitivity of the resulting ΔΔOD signals was systematically investigated for possible connectivity schemes and photochemical parameters. When applying a homogeneous (sequentially decaying) connectivity scheme in both the 3 and 14 ps kinetic phases, evidence for repumping of an intermediate that has an electronic ground state configuration (GSI) is taken from the dump-induced S1 formation with 620, 640, and 660 nm wavelengths and 1 and 14 ps repump delays. Evidence for repumping a GSI is also seen, for the same excitation wavelengths, when imposing a target connectivity scheme proposed in the literature for the 1 ps repump delay. In

  5. Quenched crystal-field disorder and magnetic liquid ground states in Tb 2 Sn 2 - x Ti x O 7 [Crystal field disorder in the quantum spin ice ground state of Tb2Sn2-xTixO7

    DOE PAGES

    Gaulin, B. D.; Kermarrec, E.; Dahlberg, M. L.; ...

    2015-06-01

    Solid-solutions of the "soft" quantum spin ice pyrochlore magnets Tb 2B 2O 7 with B=Ti and Sn display a novel magnetic ground state in the presence of strong B-site disorder, characterized by a low susceptibility and strong spin fluctuations to temperatures below 0.1 K. These materials have been studied using ac-susceptibility and muSR techniques to very low temperatures, and time-of-flight inelastic neutron scattering techniques to 1.5 K. Remarkably, neutron spectroscopy of the Tb 3+ crystal field levels appropriate to at high B-site mixing (0.5 < x < 1.5 in Tb 2Sn 2-xTi xO 7) reveal that the doublet ground andmore » first excited states present as continua in energy, while transitions to singlet excited states at higher energies simply interpolate between those of the end members of the solid solution. The resulting ground state suggests an extreme version of a random-anisotropy magnet, with many local moments and anisotropies, depending on the precise local configuration of the six B sites neighboring each magnetic Tb 3+ ion.« less

  6. From Hubble's NGSL to Absolute Fluxes

    NASA Technical Reports Server (NTRS)

    Heap, Sara R.; Lindler, Don

    2012-01-01

    Hubble's Next Generation Spectral Library (NGSL) consists of R-l000 spectra of 374 stars of assorted temperature, gravity, and metallicity. Each spectrum covers the wavelength range, 0.18-1.00 microns. The library can be viewed and/or downloaded from the website, http://archive.stsci.edu/prepds/stisngsll. Stars in the NGSL are now being used as absolute flux standards at ground-based observatories. However, the uncertainty in the absolute flux is about 2%, which does not meet the requirements of dark-energy surveys. We are therefore developing an observing procedure that should yield fluxes with uncertainties less than 1 % and will take part in an HST proposal to observe up to 15 stars using this new procedure.

  7. Variational theory of valence fluctuations: Ground states and quasiparticle excitations of the Anderson lattice model

    NASA Astrophysics Data System (ADS)

    Brandow, B. H.

    1986-01-01

    A variational study of ground states of the orbitally nondegenerate Anderson lattice model, using a wave function with one variational parameter per Bloch state k, has been extended to deal with essentially metallic systems having a nonintegral number of electrons per site. Quasiparticle excitations are obtained by direct appeal to Landau's original definition for interacting Fermi liquids, scrEqp(k,σ)=δEtotal/δn qp(k,σ). This approach provides a simple and explicit realization of the Luttinger picture of a periodic Fermi liquid. A close correspondence is maintained between the ``interacting'' (U=∞) system and the corresponding ``noninteracting'' (U=0) case, i.e., ordinary band theory; the result can be described as a renormalized band or renormalized hybridization theory. The occupation-number distribution for the conduction orbitals displays a finite discontinuity at the Fermi surface. If the d-f hybridization is nonzero throughout the Brillouin zone, the quasiparticle spectrum will always exhibit a gap, although this gap becomes exponentially small (i.e., of order TK) in the Kondo-lattice regime. In the ``ionic'' case with precisely two electrons per site, such a system may therefore exhibit an insulating (semiconducting) gap. The quasiparticle state density exhibits a prominent spike on each side of the spectral gap, just as in the elementary hybridization model (the U=0 case). For the metallic case, with a nonintegral number of electrons per site, the Fermi level falls within one of the two sharp density peaks. The effective mass at the Fermi surface tends to be very large; enhancements by a factor >~102 are quite feasible. The foregoing variational theory has also been refined by means of a trial wave function having two variational parameters per Bloch state k. The above qualitative features are all retained, with some quantitative differences, but there are also some qualitatively new features. The most interesting of these is the appearance, within

  8. Regional analysis of ground-water recharge: Chapter B in Ground-water recharge in the arid and semiarid southwestern United States (Professional Paper 1703)

    USGS Publications Warehouse

    Flint, Lorraine E.; Flint, Alan L.; Stonestrom, David A.; Constantz, Jim; Ferré, Ty P.A.; Leake, Stanley A.

    2007-01-01

    A modeling analysis of runoff and ground-water recharge for the arid and semiarid southwestern United States was performed to investigate the interactions of climate and other controlling factors and to place the eight study-site investigations into a regional context. A distributed-parameter water-balance model (the Basin Characterization Model, or BCM) was used in the analysis. Data requirements of the BCM included digital representations of topography, soils, geology, and vegetation, together with monthly time-series of precipitation and air-temperature data. Time-series of potential evapotranspiration were generated by using a submodel for solar radiation, taking into account topographic shading, cloudiness, and vegetation density. Snowpack accumulation and melting were modeled using precipitation and air-temperature data. Amounts of water available for runoff and ground-water recharge were calculated on the basis of water-budget considerations by using measured- and generated-meteorologic time series together with estimates of soil-water storage and saturated hydraulic conductivity of subsoil geologic units. Calculations were made on a computational grid with a horizontal resolution of about 270 meters for the entire 1,033,840 square-kilometer study area. The modeling analysis was composed of 194 basins, including the eight basins containing ground-water recharge-site investigations. For each grid cell, the BCM computed monthly values of potential evapotranspiration, soil-water storage, in-place ground-water recharge, and runoff (potential stream flow). A fixed percentage of runoff was assumed to become recharge beneath channels operating at a finer resolution than the computational grid of the BCM. Monthly precipitation and temperature data from 1941 to 2004 were used to explore climatic variability in runoff and ground-water recharge.The selected approach provided a framework for classifying study-site basins with respect to climate and dominant recharge

  9. Spectral Assignments and Analysis of the Ground State of Nitromethane in High-Resolution FTIR Synchrotron Spectra

    NASA Astrophysics Data System (ADS)

    Twagirayezu, Sylvestre; Billinghurst, Brant E.; May, Tim E.; Dawadi, Mahesh B.; Perry, David S.

    2014-06-01

    The Fourier Transform infrared spectra of CH3NO2, have been recorded, in the 400-950 wn spectral region, at a resolution of 0.00096 wn, using the Far-Infrared Beamline at Canadian Light Source. The observed spectra contain four fundamental vibrations: the NO2 in-plane rock (475.2 wn), the NO2 out-of-plane rock (604.9 wn), the NO2 symmetric bend (657.1 wn), and the CN-stretch (917.2 wn). For the lowest torsional state of CN-stretch and NO2 in-plane rock, transitions involving quantum numbers, " = 0; " {≤ 50} and {_a}" {≤ 10}, have been assigned with the aid of an automated ground state combination difference program together with a traditional Loomis Wood approach Ground state combination differences derived from more than 2100 infrared transitions have been fit with the six-fold torsion-rotation program developed by Ilyushin et al. Additional sextic and octic centrifugal distortion parameters are derived for the ground vibrational state. C. F. Neese., An Interactive Loomis-Wood Package, V2.0, {56th},OSU Interanational Symposium on Molecular Spectroscopy (2001). V. V. Ilyushin, Z. Kisiel, L. Pszczolkowski, H. Mader, and J. T. Hougen, J. Mol. Spectrosc., 259, 26, (2010).

  10. Magnetic ground state of Sr 2 IrO 4 and implications for second-harmonic generation

    DOE PAGES

    Di Matteo, S.; Norman, M. R.

    2016-08-24

    The currently accepted magnetic ground state of Sr 2IrO 4 (the -++- state) preserves inversion symmetry. This is at odds, though, with recent experiments that indicate a magnetoelectric ground state, leading to the speculation that orbital currents or more exotic magnetic multipoles might exist in this material. In this paper, we analyze various magnetic configurations and demonstrate that two of them, the magnetoelectric -+-+ state and the nonmagnetoelectric ++++ state, can explain these recent second-harmonic generation (SHG) experiments, obviating the need to invoke orbital currents. The SHG-probed magnetic order parameter has the symmetry of a parity-breaking multipole in the -+-+more » state and of a parity-preserving multipole in the ++++ state. We speculate that either might have been created by the laser pump used in the experiments. An alternative is that the observed magnetic SHG signal is a surface effect. Finally, we suggest experiments that could be performed to test these various possibilities and also address the important issue of the suppression of the RXS intensity at the L 2 edge.« less

  11. Magnetic ground state of Sr 2 IrO 4 and implications for second-harmonic generation

    SciTech Connect

    Di Matteo, S.; Norman, M. R.

    The currently accepted magnetic ground state of Sr 2IrO 4 (the -++- state) preserves inversion symmetry. This is at odds, though, with recent experiments that indicate a magnetoelectric ground state, leading to the speculation that orbital currents or more exotic magnetic multipoles might exist in this material. In this paper, we analyze various magnetic configurations and demonstrate that two of them, the magnetoelectric -+-+ state and the nonmagnetoelectric ++++ state, can explain these recent second-harmonic generation (SHG) experiments, obviating the need to invoke orbital currents. The SHG-probed magnetic order parameter has the symmetry of a parity-breaking multipole in the -+-+more » state and of a parity-preserving multipole in the ++++ state. We speculate that either might have been created by the laser pump used in the experiments. An alternative is that the observed magnetic SHG signal is a surface effect. Finally, we suggest experiments that could be performed to test these various possibilities and also address the important issue of the suppression of the RXS intensity at the L 2 edge.« less

  12. FAST TRACK COMMUNICATION: Ground-state fidelity and entanglement entropy for the quantum three-state Potts model in one spatial dimension

    NASA Astrophysics Data System (ADS)

    Dai, Yan-Wei; Hu, Bing-Quan; Zhao, Jian-Hui; Zhou, Huan-Qiang

    2010-09-01

    The ground-state fidelity per lattice site is computed for the quantum three-state Potts model in a transverse magnetic field on an infinite-size lattice in one spatial dimension in terms of the infinite matrix product state algorithm. It is found that, on the one hand, a pinch point is identified on the fidelity surface around the critical point, and on the other hand, the ground-state fidelity per lattice site exhibits bifurcations at pseudo critical points for different values of the truncation dimension, which in turn approach the critical point as the truncation dimension becomes large. This implies that the ground-state fidelity per lattice site enables us to capture spontaneous symmetry breaking when the control parameter crosses the critical value. In addition, a finite-entanglement scaling of the von Neumann entropy is performed with respect to the truncation dimension, resulting in a precise determination of the central charge at the critical point. Finally, we compute the transverse magnetization, from which the critical exponent β is extracted from the numerical data.

  13. Fine tuning the heavy fermion ground state: A new handle on cerium cobalt indium

    NASA Astrophysics Data System (ADS)

    Pham, Long D.

    A Two Fluid Description of the Kondo Lattice CeCoIn5 has been extended to include additional entropy terms that were not considered in the original work by S. Nakatsuji et al. [1]. The use of a Matlab computer code was successful at iteratively solving for f, the fraction of itinerant interacting heavy quasiparticles, and showed that it converges to a temperature dependent function invariant under successive iterations. The linear specific heat coefficient, gamma, was extracted from transport consideration in conjunction with f(T) and the Kadowacki-Woods ratio to be 204mJ/mole-K2, in good agreement from heat capacity measurements of 290mJ/mole-K2 for CeCoIn 5 [32]. Antiferromagnetism has been induced in CeCoIn5 as well as its two isostructural, isovalent sister compounds CeRhIn5 and CeIrIn 5. Cadmium-doping the heavy-fermion superconductor CeCoIn5 at the percent level acts as an electronic tuning agent, sensitively shifting the balance between superconductivity and antiferromagnetism and opening new ambient-pressure phase space in the study of heavy-fermion ground states. At nominal concentrations of x>0.070, CeCo(In1-xCd x)5 displays a two phase region of antiferromagnetism coexisting with superconductivity up to x<0.15, above which no trace of superconductivity persists in specific heat. Similar results was seen in CeIr(In1-xCd x)5 where a quantum critical point (QCP) was observed, separating superconductivity from antiferromagnetism at a nominal critical concentration of x≈0.0475, while CeRh(In1-xCdx)5 goes through an incommensurate to commensurate antiferromagnetic transition nominally at x≈0.10. Amazingly, pressure completely recovers Tc in CeCo(In1-x Cdx)5 measured at nominal concentrations of x=0.10, and 0.15. Phase diagrams were constructed from specific heat and confirmed with resistivity and magnetization. An introduction to strongly correlated physics, relevant to the 115 family, will be worked out followed by a description of general techniques of

  14. Reformulation of the covering and quantizer problems as ground states of interacting particles.

    PubMed

    Torquato, S

    2010-11-01

    It is known that the sphere-packing problem and the number-variance problem (closely related to an optimization problem in number theory) can be posed as energy minimizations associated with an infinite number of point particles in d-dimensional Euclidean space R(d) interacting via certain repulsive pair potentials. We reformulate the covering and quantizer problems as the determination of the ground states of interacting particles in R(d) that generally involve single-body, two-body, three-body, and higher-body interactions. This is done by linking the covering and quantizer problems to certain optimization problems involving the "void" nearest-neighbor functions that arise in the theory of random media and statistical mechanics. These reformulations, which again exemplify the deep interplay between geometry and physics, allow one now to employ theoretical and numerical optimization techniques to analyze and solve these energy minimization problems. The covering and quantizer problems have relevance in numerous applications, including wireless communication network layouts, the search of high-dimensional data parameter spaces, stereotactic radiation therapy, data compression, digital communications, meshing of space for numerical analysis, and coding and cryptography, among other examples. In the first three space dimensions, the best known solutions of the sphere-packing and number-variance problems (or their "dual" solutions) are directly related to those of the covering and quantizer problems, but such relationships may or may not exist for d≥4 , depending on the peculiarities of the dimensions involved. Our reformulation sheds light on the reasons for these similarities and differences. We also show that disordered saturated sphere packings provide relatively thin (economical) coverings and may yield thinner coverings than the best known lattice coverings in sufficiently large dimensions. In the case of the quantizer problem, we derive improved upper bounds

  15. Reformulation of the covering and quantizer problems as ground states of interacting particles

    NASA Astrophysics Data System (ADS)

    Torquato, S.

    2010-11-01

    It is known that the sphere-packing problem and the number-variance problem (closely related to an optimization problem in number theory) can be posed as energy minimizations associated with an infinite number of point particles in d -dimensional Euclidean space Rd interacting via certain repulsive pair potentials. We reformulate the covering and quantizer problems as the determination of the ground states of interacting particles in Rd that generally involve single-body, two-body, three-body, and higher-body interactions. This is done by linking the covering and quantizer problems to certain optimization problems involving the “void” nearest-neighbor functions that arise in the theory of random media and statistical mechanics. These reformulations, which again exemplify the deep interplay between geometry and physics, allow one now to employ theoretical and numerical optimization techniques to analyze and solve these energy minimization problems. The covering and quantizer problems have relevance in numerous applications, including wireless communication network layouts, the search of high-dimensional data parameter spaces, stereotactic radiation therapy, data compression, digital communications, meshing of space for numerical analysis, and coding and cryptography, among other examples. In the first three space dimensions, the best known solutions of the sphere-packing and number-variance problems (or their “dual” solutions) are directly related to those of the covering and quantizer problems, but such relationships may or may not exist for d≥4 , depending on the peculiarities of the dimensions involved. Our reformulation sheds light on the reasons for these similarities and differences. We also show that disordered saturated sphere packings provide relatively thin (economical) coverings and may yield thinner coverings than the best known lattice coverings in sufficiently large dimensions. In the case of the quantizer problem, we derive improved upper

  16. Hydrogeology and ground-water resources of Ngatik Island, Sapwuahfik Atoll, State of Pohnpei, Federated States of Micronesia

    USGS Publications Warehouse

    Anthony, S.S.

    1996-01-01

    The lens of fresh ground water on Ngatik Island contains about 509 million gallons of potable water. Recharge to the freshwater lens is estimated to be 990,000 gallons per day on the basis of an estimated mean annual rainfall of 160 inches. The long-term average sustainable yield is estimated to be about 280,000 gallons per day. The estimated demand for water is about 30,000 gallons per day. Shallow-vertical-tube-wells or horizontal-infiltration wells could be used to develop the freshwater lens. The effect of development on the lens can be determined by monitoring the chloride concentration of water from a network of shallow-water-table wells and deep driven wells. The ground-water resource on Ngatik can be used in conjunction with individual rainwater-catchment systems: rainwater can be used for drinking and cooking and ground water can be used for sanitary purposes. When rainwater- catchment systems fail during extended dry periods, ground water would be available to meet the total demand.

  17. Hydrogeology and ground-water resources of Pingelap Island, Pingelap Atoll, State of Pohnpei, Federated States of Micronesia

    USGS Publications Warehouse

    Anthony, S.S.

    1996-01-01

    The lens of fresh ground water on Pingelap Island, Pingelap Atoll contains about 384 million gallons of potable water. Recharge to the freshwater lens is estimated to be 230,000 gallons per day on the basis of an average annual rainfall of 160 inches. The long-term average sustainable yield is estimated to be about 69,000 gallons per day. The estimated demand for water is about 50,000 gallons per day. Shallow-vertical-tube wells or horizontal-infiltration wells could be used to develop the freshwater lens. The effect of development on the lens can be determined by monitoring the chloride concentration of water from a network of shallow-water-table wells and deep driven wells. The ground-water resource on Pingelap can be used in conjunction with individual rainwater-catchment systems: rainwater can be used for drinking and cooking, and ground water can be used for sanitary uses. When rainwater-catchment systems fail during extended dry periods, ground water would be available to meet the total demand.

  18. Hydrogeology and ground-water resources of Kahlap Island, Mwoakilloa Atoll, State of Pohnpei, Federated States of Micronesia

    USGS Publications Warehouse

    Anthony, S.S.

    1996-01-01

    The lens of fresh ground water on Kahlap Island contains about 21.3 million gallons of potable water. Recharge to the freshwater lens is estimated to be 125,000 gallons per day on the basis of a mean annual rainfall of 120 inches. The long-term average sustainable yield is estimated to be about 17,300 gallons per day. The estimated demand for water is about 13,500 gallons per day. Shallow-vertical-tube wells or horizontal- infiltration wells could be used to develop the freshwater lens. The effect of development on the lens can be determined by monitoring the chloride concentration of water from a network of shallow- water-table and deep driven wells. The ground- water resource on Kahlap can be used in conjunc- tion with individual rainwater-catchment systems: rainwater can be used for drinking and cooking, and ground water can be used for sanitary uses. When rainwater-catchment systems fail during extended dry periods, ground water would be available to meet the total demand.

  19. Hydrogeology and ground-water quality at a land reclamation site, Neshaminy State Park, Pennsylvania

    USGS Publications Warehouse

    Blickwedel, Ray S.; Linn, Jeff H.

    1987-01-01

    Analyses of ground-water samples collected after the first two sludge applications (120 tons per acre and 450 tons per acre), indicate that no significant change occurred in the chemistry of the samples from the Trenton gravel, whereas organic nitrogen increased temporarily in ground water from the dredge spoil 6 months after the larger of the two sludge applications, but quickly returned to background levels. The lack of chemical change with time in the ground water implies either that little of the more than 100 inches of precipitation that fell from April 1983 through March 1985 reached the water table or, more likely, that a mechanism exists beneath the soil- factory site that retards or prevents the downard migration of contaminants.

  20. A mathematical analysis of dressed photon in ground state of generalized quantum Rabi model using pair theory

    NASA Astrophysics Data System (ADS)

    Hirokawa, Masao; Møller, Jacob S.; Sasaki, Itaru

    2017-05-01

    We consider the generalized quantum Rabi model with the so-called A 2-term in the light of the Hepp-Lieb-Preparata quantum phase transition. We investigate the dressed photon in its ground state when the atom-light coupling strength is in the deep-strong coupling regime. This regime is introduced by Casanova et al (2010 Phys. Rev. Lett. 105 263603) as the coupling regime exceeding the ultra-strong one. We show how the dressed photon appears in the ground state. We dedicate this paper to Pavel Exner and Herbert Spohn on the occasion of their 70th birthdays, and Klaus Hepp on the occasion of his 80th birthday.

  1. Computation of Ground-State Properties in Molecular Systems: Back-Propagation with Auxiliary-Field Quantum Monte Carlo.

    PubMed

    Motta, Mario; Zhang, Shiwei

    2017-11-14

    We address the computation of ground-state properties of chemical systems and realistic materials within the auxiliary-field quantum Monte Carlo method. The phase constraint to control the Fermion phase problem requires the random walks in Slater determinant space to be open-ended with branching. This in turn makes it necessary to use back-propagation (BP) to compute averages and correlation functions of operators that do not commute with the Hamiltonian. Several BP schemes are investigated, and their optimization with respect to the phaseless constraint is considered. We propose a modified BP method for the computation of observables in electronic systems, discuss its numerical stability and computational complexity, and assess its performance by computing ground-state properties in several molecular systems, including small organic molecules.

  2. Spin-Glass Ground State in a Triangular-Lattice Compound YbZnGaO4

    NASA Astrophysics Data System (ADS)

    Ma, Zhen; Wang, Jinghui; Dong, Zhao-Yang; Zhang, Jun; Li, Shichao; Zheng, Shu-Han; Yu, Yunjie; Wang, Wei; Che, Liqiang; Ran, Kejing; Bao, Song; Cai, Zhengwei; Čermák, P.; Schneidewind, A.; Yano, S.; Gardner, J. S.; Lu, Xin; Yu, Shun-Li; Liu, Jun-Ming; Li, Shiyan; Li, Jian-Xin; Wen, Jinsheng

    2018-02-01

    We report on comprehensive results identifying the ground state of a triangular-lattice structured YbZnGaO4 as a spin glass, including no long-range magnetic order, prominent broad excitation continua, and the absence of magnetic thermal conductivity. More crucially, from the ultralow-temperature ac susceptibility measurements, we unambiguously observe frequency-dependent peaks around 0.1 K, indicating the spin-glass ground state. We suggest this conclusion holds also for its sister compound YbMgGaO4 , which is confirmed by the observation of spin freezing at low temperatures. We consider disorder and frustration to be the main driving force for the spin-glass phase.

  3. Electrical-field-induced magnetic Skyrmion ground state in a two-dimensional chromium tri-iodide ferromagnetic monolayer

    NASA Astrophysics Data System (ADS)

    Liu, Jie; Shi, Mengchao; Mo, Pinghui; Lu, Jiwu

    2018-05-01

    Using fully first-principles non-collinear self-consistent field density functional theory (DFT) calculations with relativistic spin-orbital coupling effects, we show that, by applying an out-of-plane electrical field on a free-standing two-dimensional chromium tri-iodide (CrI3) ferromagnetic monolayer, the Néel-type magnetic Skyrmion spin configurations become more energetically-favorable than the ferromagnetic spin configurations. It is revealed that the topologically-protected Skyrmion ground state is caused by the breaking of inversion symmetry, which induces the non-trivial Dzyaloshinskii-Moriya interaction (DMI) and the energetically-favorable spin-canting configuration. Combining the ferromagnetic and the magnetic Skyrmion ground states, it is shown that 4-level data can be stored in a single monolayer-based spintronic device, which is of practical interests to realize the next-generation energy-efficient quaternary logic devices and multilevel memory devices.

  4. The 75As(n,2n) Cross Sections into the 74As Isomer and Ground State

    SciTech Connect

    Younes, W; Garrett, P E; Becker, J A

    2003-06-30

    The {sup 75}As(n, 2n) cross section for the population of the T{sub 1/2} = 26.8-ns isomer at E{sub x} = 259.3 keV in {sup 74}As has been measured as a function of incident neutron energy, from threshold to E{sub n} = 20 MeV. The cross section was measured using the GEANIE spectrometer at LANSCE/WNR. For convenience, the {sup 75}As(n, 2n) population cross section for the {sup 74}As ground state has been deduced as the difference between the previously-known (n, 2n) reaction cross section and the newly measured {sup 75}As(n, 2n){sup 74}As{sup m} cross section. The (n, 2n) reaction, ground-state, andmore » isomer population cross sections are tabulated in this paper.« less

  5. The ground state infrared spectrum of the MnH radical ( 7Σ) from diode laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Urban, Rolf-Dieter; Jones, Harold

    1989-11-01

    The infrared spectrum of the manganese hydride radical ( 55MnH) in its ground electronic state ( 7Σ) has been observed using a diode laser spectrometer. The wavenumbers of twelve transitions of the v=1→0 band, five of the v=2→1 band and seven of the v=3→2 band have been measured with a nominal accuracy of ±0.001 cm -1. Coupling between the electronic spin ( S=3) and the overall molecular rotation causes each ro-vibrational transition with N>3 to be split (γ splitting) into seven components each separated by a few hundredths of a wavenumber. In most cases the complete structure was resolved. Correction terms arising from spin-spin coupling had to be included in the analysis. This work has produced the most accurate set of ground-state parameters available for MnH.

  6. Auxiliary-cavity-assisted ground-state cooling of an optically levitated nanosphere in the unresolved-sideband regime

    NASA Astrophysics Data System (ADS)

    Feng, Jin-Shan; Tan, Lei; Gu, Huai-Qiang; Liu, Wu-Ming

    2017-12-01

    We theoretically analyze the ground-state cooling of an optically levitated nanosphere in the unresolved-sideband regime by introducing a coupled high-quality-factor cavity. On account of the quantum interference stemming from the presence of the coupled cavity, the spectral density of the optical force exerting on the nanosphere gets changed and then the symmetry between the heating and the cooling processes is broken. Through adjusting the detuning of a strong-dissipative cavity mode, one obtains an enhanced net cooling rate for the nanosphere. It is illustrated that the ground-state cooling can be realized in the unresolved sideband regime even if the effective optomechanical coupling is weaker than the frequency of the nanosphere, which can be understood by the picture that the effective interplay of the nanosphere and the auxiliary cavity mode brings the system back to an effective resolved regime. Besides, the coupled cavity refines the dynamical stability of the system.

  7. Ground motion-simulations of 1811-1812 New Madrid earthquakes, central United States

    USGS Publications Warehouse

    Ramirez-Guzman, L.; Graves, Robert; Olsen, Kim B.; Boyd, Oliver; Cramer, Chris H.; Hartzell, Stephen; Ni, Sidao; Somerville, Paul G.; Williams, Robert; Zhong, Jinquan

    2015-01-01

    The region covered by our simulation domain encompasses a large portion of the CUS centered on the NMSZ, including several major metropolitan areas. Based on our simulations, more than eight million people living and working near the NMSZ would experience potentially damaging ground motion and modified Mercalli intensities ranging from VI to VIII if a repeat of the 1811–1812 earthquakes occurred today. Moreover, the duration of strong ground shaking in the greater Memphis metropolitan area could last from 30 to more than 60 s, depending on the magnitude and epicenter.

  8. Orbital stability and energy estimate of ground states of saturable nonlinear Schrödinger equations with intensity functions in R2

    NASA Astrophysics Data System (ADS)

    Lin, Tai-Chia; Wang, Xiaoming; Wang, Zhi-Qiang

    2017-10-01

    Conventionally, the existence and orbital stability of ground states of nonlinear Schrödinger (NLS) equations with power-law nonlinearity (subcritical case) can be proved by an argument using strict subadditivity of the ground state energy and the concentration compactness method of Cazenave and Lions [4]. However, for saturable nonlinearity, such an argument is not applicable because strict subadditivity of the ground state energy fails in this case. Here we use a convexity argument to prove the existence and orbital stability of ground states of NLS equations with saturable nonlinearity and intensity functions in R2. Besides, we derive the energy estimate of ground states of saturable NLS equations with intensity functions using the eigenvalue estimate of saturable NLS equations without intensity function.

  9. Vibrational Relaxation of Ground-State Oxygen Molecules With Atomic Oxygen and Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Saran, D. V.; Pejakovic, D. A.; Copeland, R. A.

    2008-12-01

    Vertical water vapor profiles are key to understanding the composition and energy budget in the mesosphere and lower thermosphere (MLT). The SABER instrument onboard NASA's TIMED satellite measures such profiles by detecting H2O(ν2) emission in the 6.8 μm region. Collisional deactivation of vibrationally excited O2, O2(X3Σ-g, υ = 1) + H2O ↔ O2(X3Σ-g, υ = 0) + H2O(ν2), is an important source of H2O(ν2). A recent study has identified two other processes involving excited O2 that control H2O(ν2) population in the MLT: (1) the vibrational-translational (V-T) relaxation of O2(X3Σ-g, υ = 1) level by atomic oxygen and (2) the V-V exchange between CO2 and excited O2 molecules [1]. Over the past few years SRI researchers have measured the atomic oxygen removal process mentioned above at room temperature [2] and 240 K [3]. These measurements have been incorporated into the models for H2O(ν2) emission [1]. Here we report laboratory studies of the collisional removal of O2(X3Σ-g, υ = 1) by O(3P) at room temperature and below, reaching temperatures relevant to mesopause and polar summer MLT (~150 K). Instead of directly detecting the O2(X3Σ-g, υ = 1) population, a technically simpler approach is used in which the υ = 1 level of the O2(a1Δg) state is monitored. A two-laser method is employed, in which the pulsed output of the first laser near 285 nm photodissociates ozone to produce atomic oxygen and O2(a1Δg, υ = 1), and the pulsed output of the second laser detects O2(a1Δg, υ = 1) via resonance-enhanced multiphoton ionization. With ground-state O2 present, owing to the rapid equilibration of the O2(X3Σ-g, υ = 1) and O2(a1Δg, υ = 1) populations via the processes O2(a1Δg, υ = 1) + O2(X3Σ-g, υ = 0) ↔ O2(a1Δg, υ = 0) + O2(X3Σ-g, υ = 1), the information on the O2(X3Σ-g, υ = 1) kinetics is extracted from the O2(a1Δg, υ = 1) temporal evolution. In addition, measurements of the removal of O2(X3Σ-g, υ = 1) by CO2 at room temperature will also

  10. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    NASA Astrophysics Data System (ADS)

    Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

    2015-06-01

    Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets ( S ( λ 1 , T ˜ 2 , λ 3 ) ) along the population time ( T ˜ 2 ) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps ( S ( λ 1 , ν ˜ 2 , λ 3 ) ). We found that the vibrational coherence from pure excited electronic states appears at positive frequency ( + ν ˜ 2 ) in the rephasing beating map and at negative frequency ( - ν ˜ 2 ) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

  11. Reactions of Ground State Nitrogen Atoms N(4S) with Astrochemically-Relevant Molecules on Interstellar Dusts

    NASA Astrophysics Data System (ADS)

    Krim, Lahouari; Nourry, Sendres

    2015-06-01

    In the last few years, ambitious programs were launched to probe the interstellar medium always more accurately. One of the major challenges of these missions remains the detection of prebiotic compounds and the understanding of reaction pathways leading to their formation. These complex heterogeneous reactions mainly occur on icy dust grains, and their studies require the coupling of laboratory experiments mimicking the extreme conditions of extreme cold and dilute media. For that purpose, we have developed an original experimental approach that combine the study of heterogeneous reactions (by exposing neutral molecules adsorbed on ice to non-energetic radicals H, OH, N...) and a neon matrix isolation study at very low temperatures, which is of paramount importance to isolate and characterize highly reactive reaction intermediates. Such experimental approach has already provided answers to many questions raised about some astrochemically-relevant reactions occurring in the ground state on the surface of dust grain ices in dense molecular clouds. The aim of this new present work is to show the implication of ground state atomic nitrogen on hydrogen atom abstraction reactions from some astrochemically-relevant species, at very low temperatures (3K-20K), without providing any external energy. Under cryogenic temperatures and with high barrier heights, such reactions involving N(4S) nitrogen atoms should not occur spontaneously and require an initiating energy. However, the detection of some radicals species as byproducts, in our solid samples left in the dark for hours at 10K, proves that hydrogen abstraction reactions involving ground state N(4S) nitrogen atoms may occur in solid phase at cryogenic temperatures. Our results show the efficiency of radical species formation stemming from non-energetic N-atoms and astrochemically-relevant molecules. We will then discuss how such reactions, involving nitrogen atoms in their ground states, might be the first key step

  12. Path integral molecular dynamic simulation of flexible molecular systems in their ground state: Application to the water dimer

    NASA Astrophysics Data System (ADS)

    Schmidt, Matthew; Roy, Pierre-Nicholas

    2018-03-01

    We extend the Langevin equation Path Integral Ground State (LePIGS), a ground state quantum molecular dynamics method, to simulate flexible molecular systems and calculate both energetic and structural properties. We test the approach with the H2O and D2O monomers and dimers. We systematically optimize all simulation parameters and use a unity trial wavefunction. We report ground state energies, dissociation energies, and structural properties using three different water models, two of which are empirically based, q-TIP4P/F and q-SPC/Fw, and one which is ab initio, MB-pol. We demonstrate that our energies calculated from LePIGS can be merged seamlessly with low temperature path integral molecular dynamics calculations and note the similarities between the two methods. We also benchmark our energies against previous diffusion Monte Carlo calculations using the same potentials and compare to experimental results. We further demonstrate that accurate vibrational energies of the H2O and D2O monomer can be calculated from imaginary time correlation functions generated from the LePIGS simulations using solely the unity trial wavefunction.

  13. The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.

    PubMed

    Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe

    2007-01-14

    Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.

  14. Rovibrational constants of the ground state and v8 = 1 state of 13C2HD3 by high-resolution FTIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Ng, L. L.; Tan, T. L.

    2016-06-01

    The Fourier transform infrared (FTIR) spectrum of the c-type ν8 band of 13C2HD3 was recorded for the first time at a unapodized resolution of 0.0063 cm-1 in the wavenumber region of 830-1000 cm-1. Through the fitting of a total of 1057 assigned infrared transitions using Watson's A-reduced Hamiltonian in the Ir representation, rovibrational constants for the upper state (v8 = 1) up to five quartic centrifugal distortion terms were derived for the first time with a root-mean-square (rms) deviation of 0.00073 cm-1. The band center of ν8 of 13C2HD3 was found to be 913.011021(55) cm-1. Ground state rovibrational constants up to five quartic terms of 13C2HD3 were also determined from a fit of 453 ground state combination-differences from the present infrared measurements with an rms deviation of 0.00072 cm-1 for the first time. The uncertainty of the measured infrared lines was estimated to be ±0.0012 cm-1. From the ground state rotational constants, the inertial defect of 13C2HD3 was calculated to be 0.06973(16) uÅ2, showing the high planarity of the molecule.

  15. Decadal-scale changes of nitrate in ground water of the United States, 1988-2004

    USGS Publications Warehouse

    Rupert, Michael G.

    2008-01-01

    This study evaluated decadal-scale changes of nitrate concentrations in groundwater samples collected by the USGS National Water-Quality Assessment Program from 495 wells in 24 well networks across the USA in predominantly agricultural areas. Each well network was sampled once during 1988-1995 and resampled once during 2000-2004. Statistical tests of decadal-scale changes of nitrate concentrations in water from all 495 wells combined indicate there is a significant increase in nitrate concentrations in the data set as a whole. Eight out of the 24 well networks, or about 33%, had significant changes of nitrate concentrations. Of the eight well networks with significant decadal-scale changes of nitrate, all except one, the Willamette Valley of Oregon, had increasing nitrate concentrations. Median nitrate concentrations of three of those eight well networks increased above the USEPA maximum contaminant level of 10 mg L-1. Nitrate in water from wells with reduced conditions had significantly smaller decadal-scale changes in nitrate concentrations than oxidized and mixed waters. A subset of wells had data on ground water recharge date; nitrate concentrations increased in response to the increase of N fertilizer use since about 1950. Determining ground water recharge dates is an important component of a ground water trends investigation because recharge dates provide a link between changes in ground water quality and changes in land-use practices. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  16. The preparatory state of ground reaction forces in defending against a dribbler in a basketball 1-on-1 dribble subphase.

    PubMed

    Fujii, Keisuke; Yoshioka, Shinsuke; Isaka, Tadao; Kouzaki, Motoki

    2015-03-01

    We previously demonstrated the relationship between sidestepping performance and the preparatory state of ground reaction forces (GRFs). The present study investigated the effect of the preparatory state of GRFs on defensive performance in 1-on-1 subphase of basketball. Ten basketball players participated in 1-on-1 dribble game of basketball. The outcomes (penetrating and guarding) and the preparatory state of GRFs (non-weighted and weighted states, i.e. vertical GRFs below and above 120% of body weight, respectively) were assessed by separating the phases. In the non-weighted state and the weighted state to determine the outcome, the probability of successful guarding was 78.8% and 29.6%, respectively. The non-weighted state prevented delay of the defensive step in the determination phase. Both the non-weighted and weighted states, immediately before the determination phase, were likely to change to the weighted state in the determination phase; during this time, the defender's preparatory state would be destabilised, presumably by the dribbler's movement. These results revealed that the preparatory GRFs before the defensive step help to explain the outcome of the 1-on-1 subphase, and suggest a better way to prevent delaying initiation of the defensive step and thereby to guard more effectively against a dribbler.

  17. Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states

    NASA Astrophysics Data System (ADS)

    Kohn, Lucas; Tschirsich, Ferdinand; Keck, Maximilian; Plenio, Martin B.; Tamascelli, Dario; Montangero, Simone

    2018-01-01

    We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

  18. Measured density of copper atoms in the ground and metastable states in argon magnetron discharge correlated with the deposition rate

    NASA Astrophysics Data System (ADS)

    Naghshara, H.; Sobhanian, S.; Khorram, S.; Sadeghi, N.

    2011-01-01

    In a dc-magnetron discharge with argon feed gas, densities of copper atoms in the ground state Cu(2S1/2) and metastable state Cu*(2D5/2) were measured by the resonance absorption technique, using a commercial hollow cathode lamp as light source. The operating conditions were 0.3-14 µbar argon pressure and 10-200 W magnetron discharge power. The deposition rate of copper in a substrate positioned at 18 cm from the target was also measured with a quartz microbalance. The gas temperature, in the range 300-380 K, was deduced from the emission spectral profile of N2(C 3Πu - B 3Πg) 0-0 band at 337 nm when trace of nitrogen was added to the argon feed gas. The isotope-shifts and hyperfine structures of electronic states of Cu have been taken into account to deduce the emission and absorption line profiles, and hence for the determination of atoms' densities from the measured absorption rates. To prevent error in the evaluation of Cu density, attributed to the line profile distortion by auto-absorption inside the lamp, the lamp current was limited to 5 mA. Density of Cu(2S1/2) atoms and deposition rate both increased with the enhanced magnetron discharge power. But at fixed power, the copper density augmented with argon pressure whereas the deposition rate followed the opposite trend. Whatever the gas pressure, the density of Cu*(2D5/2) metastable atoms remained below the detection limit of 1 × 1010 cm-3 for magnetron discharge powers below 50 W and hence increased much more rapidly than the density of Cu(2S1/2) atoms, over passing this later at some discharge power, whose value decreases with increasing argon pressure. This behaviour is believed to result from the enhancement of plasma density with increasing discharge power and argon pressure, which would increase the excitation rate of copper into metastable states. At fixed pressure, the deposition rate followed the same trend as the total density of copper atoms in the ground and metastable states. Two important

  19. Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states.

    PubMed

    Kohn, Lucas; Tschirsich, Ferdinand; Keck, Maximilian; Plenio, Martin B; Tamascelli, Dario; Montangero, Simone

    2018-01-01

    We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

  20. Influence of electron doping on the ground state of (Sr 1-xLa x) 2IrO 4

    DOE PAGES

    Chen, Xiang; Hogan, Tom; Walkup, D.; ...

    2015-08-17

    The evolution of the electronic properties of electron-doped (Sr 1-xLa x) 2IrO 4 is experimentally explored as the doping limit of La is approached. As electrons are introduced, the electronic ground state transitions from a spin-orbit Mott phase into an electronically phase separated state, where long-range magnetic order vanishes beyond x = 0:02 and charge transport remains percolative up to the limit of La substitution (x =0:06). In particular, the electronic ground state remains inhomogeneous even beyond the collapse of the parent state's long-range antiferromagnetic order, while persistent short-range magnetism survives up to the highest La-substitution levels. Furthermore, as electronsmore » are doped into Sr 2IrO 4, we observe the appearance of a low temperature magnetic glass-like state intermediate to the complete suppression of antiferromagnetic order. Universalities and di erences in the electron-doped phase diagrams of single layer and bilayer Ruddlesden-Popper strontium iridates are discussed.« less