Ground-state rotational constants of 12CH 3D
NASA Astrophysics Data System (ADS)
Chackerian, C.; Guelachvili, G.
1980-12-01
An analysis of ground-state combination differences in the ν2( A1) fundamental band of 12CH 3D ( ν0 = 2200.03896 cm -1) has been made to yield values for the rotational constants B0, D0J, D0JK, H0JJJ, H0JJK, H0JKK, LJJJJ, L0JJJK, and order of magnitude values for L0JJKK and L0JKKK. These constants should be useful in assisting radio searches for this molecule in astrophysical sources. In addition, splittings of A1A2 levels ( J ≥ 17, K = 3) have been measured in both the ground and excited vibrational states of this band.
Rotational Spectroscopy on Ultracold 23 Na40 K Ground State Molecules
NASA Astrophysics Data System (ADS)
Will, Sebastian; Park, Jee Woo; Yan, Zoe; Loh, Huanqian; Zwierlein, Martin
2016-05-01
Ultracold molecules with controllable dipolar long-range interactions will open up new routes for quantum simulation and the creation of novel states of matter. In particular, the molecules' rich internal degrees of freedom allow for versatile control of intermolecular interactions by applying static electric and microwave fields. Starting from an ultracold, spin-polarized ensemble of trapped fermionic 23 Na40 K molecules in the absolute ground state, we perform microwave spectroscopy on the first rotationally excited state for a range of magnetic and electric fields. Extracting the rotational and hyperfine coupling constants, we comprehensively understand the observed spectra. Following the coherent transfer of the entire ensemble of chemically stable 23 Na40 K molecules to the first rotationally excited state, we observe a lifetime of more than 3 sec, comparable to the lifetime in the rovibrational ground state. The collisional stability of excited rotational states opens up intriguing prospects for the control of intermolecular van-der-Waals interactions via electric fields.
Optical cooling of AlH+ to the rotational ground state
NASA Astrophysics Data System (ADS)
Lien, Chien-Yu; Seck, Christopher; Odom, Brian
2014-05-01
We demonstrate cooling of the rotational degree of freedom of trapped diatomic molecular ions to the rotational ground state. The molecule of interested, AlH+, is co-trapped and sympathetically cooled with Ba+ to milliKelvin temperatures in its translational degree of freedom. The nearly diagonal Franck-Condon-Factors between the electronic X and A states of AlH+ create semi-closed cycling transitions between the vibrational ground states of X and A states. A spectrally filtered femtosecond laser is used to optically pump the population to the two lowest rotational levels, with opposite parities, in as fast as 100 μs via driving the A-X transition. In addition, a cooling scheme relying on vibrational relaxation brings the population to the N = 0 positive-parity level in as fast as 100 ms. The population distribution among the rotational levels is detected by resonance-enhanced multiphoton dissociation (REMPD) and time-of-flight mass-spectrometry (TOFMS). Although the current two-photon state readout scheme is destructive, a scheme of single-molecule fluorescence detection is also considered.
Laboratory rotational ground state transitions of NH3D+ and CF+
NASA Astrophysics Data System (ADS)
Stoffels, A.; Kluge, L.; Schlemmer, S.; Brünken, S.
2016-09-01
Aims: This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH3D+ and CF+. Methods: Spectra in the millimetre-wave band were recorded by the method of rotational state-selective attachment of He atoms to the molecular ions stored and cooled in a cryogenic ion trap held at 4 K. The lowest rotational transition in the A state (ortho state) of NH3D+ (JK = 10-00), and the two hyperfine components of the ground state transition of CF+ (J = 1-0) were measured with a relative precision better than 10-7. Results: For both target ions, the experimental transition frequencies agree with recent observations of the same lines in different astronomical environments. In the case of NH3D+ the high-accuracy laboratory measurements lend support to its tentative identification in the interstellar medium. For CF+ the experimentally determined hyperfine splitting confirms previous quantum-chemical calculations and the intrinsic spectroscopic nature of a double-peaked line profile observed in the J = 1-0 transition towards the Horsehead photon-dominated region (PDR).
The ground-state rotational spectrum and molecular geometry of ethynylstannane.
Guillemin, Jean-Claude; Legoupy, Stéphanie; Batten, Susan; Legon, Anthony
2006-05-14
The ground-state rotational spectra of 24 isotopomers of ethynylstannane have been observed by pulsed-jet, Fourier-transform microwave spectroscopy. The spectroscopic constants, B(0,)D(J) and D(JK) are reported for symmetric-top isotopomers H(3)(n)Sn(12)C(12)CH, where n = 116, 117, 118, 119, 120, 122 and 124, D(3)(n)Sn(12)C(12)CH, where n = 116, 118, 120, 122 and 124, H(3)(n)Sn(13)C(12) CH and H(3)(n)Sn(12)C(13)CH , where n = 116,118 and 120, and H(3)(n)Sn(12)C(12)CD, where n = 116, 118 and 120. In addition, the values of A(0), B(0), C(0), Delta(J) and Delta(JK) were obtained for the three asymmetric-top isotopomers DH(2)(n)Sn(12)C(12)CH, where n = 116, 118 and 120. Hyperfine structure was resolved and assigned in the transitions of the isotopomers H(3)(n)SnCCD, where n = 116, 118 and 120, and in the isotopomers H(3)(117)SnCCH and H(3)(119)SnCCH. In the former group, the hyperfine structure arises from D nuclear quadrupole coupling while in the latter group its origin lies in the spin-rotation coupling of the I = 1/2 Sn nuclear spin to the rotational motion. For these isotopomers, D nuclear quadrupole and spin-rotation coupling constants are determined where appropriate. The rotational constants obtained for the 24 isotopomers of H(3)SnCCH were used to obtain the following types of molecular geometry for ethynylstannane: r(0), r(s), and r(m).
Rotational Spectra of Urea in its Ground and First Excited Vibrational States
NASA Astrophysics Data System (ADS)
Thomas, Jessica; Medvedev, Ivan; Kisiel, Zbigniew
2014-06-01
Urea is an important terrestrial bio-molecule, which has been tentatively detected in the interstellar medium. To match the much improved range and sensitivities of modern sub-millimeter telescopes a broad laboratory assay of rotational transitions needs to be recorded in order to aid in the definitive identification of this molecule. This paper focuses on the spectroscopic assignment of the rotational transitions of urea in the 207-500 GHz range which belong to its ground and first excited vibrational states. Remijan, A.J., L.E. Snyder, B.A. McGuire, H.-L. Kuo, L.W. Looney, D.N. Friedel, G.Y. Golubiatnikov, F.J. Lovas, V.V. Ilyushin, E.A. Alekseev, S.F. Dyubko, B.J. McCall, and J.M. Hollis, Observational Results of a Multi-Telescope Campaign in Search of Interstellar Urea [NH22CO]. The Astrophysical Journal, 2014. 783(2): p. 77
Line strengths of rovibrational and rotational transitions in the X2 Π ground state of OH
NASA Astrophysics Data System (ADS)
Brooke, James S. A.; Bernath, Peter F.; Western, Colin M.; Sneden, Christopher; Afşar, Melike; Li, Gang; Gordon, Iouli E.
2016-01-01
A new line list including positions and absolute transition strengths (in the form of Einstein A values and oscillator strengths) has been produced for the OH ground X2 Π state rovibrational (Meinel system) and pure rotational transitions. All possible transitions are included with v‧ and v ″ up to 13, and J up to between 9.5 and 59.5, depending on the band. An updated fit to determine molecular constants has been performed, which includes some new rotational data and a simultaneous fitting of all molecular constants. The absolute transition strengths are based on a new dipole moment function, which is a combination of two high level ab initio calculations. The calculations show good agreement with an experimental v = 1 lifetime, experimental μv values, and Δv=2 line intensity ratios from an observed spectrum. To achieve this good agreement, an alteration in the method of converting matrix elements from Hund's case (b) to (a) was made. Partitions sums have been calculated using the new energy levels, for the temperature range 5-6000 K, which extends the previously available (in HITRAN) 70-3000 K range. The resulting absolute transition strengths have been used to calculate O abundances in the Sun, Arcturus, and two red giants in the Galactic open and globular clusters M67 and M71. Literature data based mainly on [O I] lines are available for the Sun and Arcturus, and excellent agreement is found.
David R. Farley
2010-08-19
A model has been developed to calculate the ground-state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and equilibrating wall collisions can significantly affect the rotational distribution in competition with non-equilibrating electron-impact effects. The resulting steady-state rotational distributions are generally Boltzmann for N≥3, with a rotational temperature between the wall and feed gas temperatures. The N=0,1,2 rotational level populations depend sensitively on the relative rates of electron-impact excitation versus wall collision and gas feed rates.
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).
NASA Astrophysics Data System (ADS)
Ware, John Matthew
The problem of a vibrating-rotating polyatomic molecule is treated, with emphasis given to the case of molecules with C(,3V) sym- metry. It is shown that several of the gross features of the rotational spectra of polyatomic molecules in excited vibrational states can be predicted by group theoretical considerations. Expressions for the rotational transition frequencies of molecules of C(,3V) symmetry in the ground vibrational state, singly excited degenerate vibrational states, and doubly excited degenerate vibrational states are given. The deri- vation of these expressions by fourth order perturbation theory as given by Amat, Nielsen, and Tarrago is discussed. The ground and V(,10) = 1 rotational spectra of propyne have been investigated in the 17 to 70 GHz, and 17 to 53 GHz regions, respec- tively, and compared with predictions based on higher frequency measurements. The V(,9) = 1 and V(,10) = 2 rotational spectra of propyne have been investigated and assigned for the first time. A perturbation of the V(,9) = 1 rotational spectra for K = -L has been discovered and discussed. Methods of assignment for excited vibrational state spectra are discussed in detail. The methods of assignment given here allow the analysis of spectra where only a relatively small number of experi- mental points are available. A discrepancy has been found in the interpretation of recently reported infrared results on the rotational spectra of propyne in the V(,10) = 1, 2, 3, and 4 vibrational states. The constants of anharmoni- city which describe the change of the rotational constant, B, with the level of excitation of the V(,10) vibrational mode are rederived from microwave data. It is shown that microwave measurements increase the accuracy of one of these constants by over an order of magnitude.
NASA Astrophysics Data System (ADS)
Koroleva, L. A.; Krasnoshchekov, S. V.; Matveev, V. K.; Pentin, Yu. A.
2016-08-01
The structural parameters of s- trans- and s- cis-isomers of a methacrolein molecule in the ground ( S 0) electronic state are determined by means of MP2 method with the cc-pVTZ basis set. Kinematic factor F(φ) is expanded in a Fourier series. The potential function of internal rotation (PFIR) of methacrolein in this state is built using experimental frequencies of transitions of the torsional vibration of both isomers, obtained from an analysis of the vibrational structure of the high-resolution UV spectrum with allowance for the geometry and difference between the energy (Δ H) of the isomers. It is shown that the V n parameters of the potential function of internal rotation of the molecule, built using the frequencies of the transition of the torsional vibrations of s- trans- and s- cis-isomers of the methacrolein molecule, determined from vibrational structure of the high-resolution UV spectrum and the FTIR spectrum, are close.
Mason, Peter; Aftalion, Amandine
2011-09-15
We classify the ground states and topological defects of a rotating two-component condensate when varying several parameters: the intracomponent coupling strengths, the intercomponent coupling strength, and the particle numbers. No restriction is placed on the masses or trapping frequencies of the individual components. We present numerical phase diagrams which show the boundaries between the regions of coexistence, spatial separation, and symmetry breaking. Defects such as triangular coreless vortex lattices, square coreless vortex lattices, and giant skyrmions are classified. Various aspects of the phase diagrams are analytically justified thanks to a nonlinear {sigma} model that describes the condensate in terms of the total density and a pseudo-spin representation.
Koput, Jacek
2015-06-30
The accurate ground-state potential energy function of imidogen, NH, has been determined from ab initio calculations using the multireference averaged coupled-pair functional (MR-ACPF) method in conjunction with the correlation-consistent core-valence basis sets up to octuple-zeta quality. The importance of several effects, including electron correlation beyond the MR-ACPF level of approximation, the scalar relativistic, adiabatic, and nonadiabatic corrections were discussed. Along with the large one-particle basis set, all of these effects were found to be crucial to attain "spectroscopic" accuracy of the theoretical predictions of vibration-rotation energy levels of NH.
NASA Astrophysics Data System (ADS)
Zakharenko, Olena; Motiyenko, R. A.; Aviles Moreno, Juan-Ramon; Huet, T. R.
2016-06-01
Methacrolein and methyl vinyl ketone are the two major oxidation products of isoprene emitted in the troposphere. New spectroscopic information is provided with the aim to allow unambiguous identification of these molecules, characterized by a large amplitude motion associated with the methyl top. State-of-the-art millimeter-wave spectroscopy experiments coupled to quantum chemical calculations have been performed. Comprehensive sets of molecular parameters have been obtained. The torsion-rotation-vibration effects will be discussed in detail. From the atmospheric application point of view the results provide precise ground state molecular constants essential as a foundation (by using the Ground State Combination Differences method) for the analysis of high resolution spectrum, recorded from 600 to 1600 wn. The infrared range can be then refitted using appropriate Hamiltonian parameters. The present work is funded by the French ANR through the PIA under contract ANR-11-LABX-0005-01 (Labex CaPPA), by the Regional Council Nord-Pas de Calais and by the European Funds for Regional Economic Development (FEDER).
NASA Astrophysics Data System (ADS)
Chen, Guang-Ping; Zhang, Zhi-Yuan; Dong, Biao; Wang, Lin-Xue; Zhang, Xiao-Fei; Zhang, Shou-Gang
2015-10-01
We consider a two-component Bose-Einstein condensate under extreme elongation in a harmonic plus quartic trap. The ground-state and rotational properties of such a system are numerically studied as a function of intra- and inter-component contact interactions, and of the rotational frequency. For the nonrotational case, we obtain the exact phase diagram showing the ground-state density distributions as contact-interactions varied. For both slowly and ultrarapidly rotational cases, we demonstrate that the vortex configurations depend strongly on the relative strength of the contact interactions, as well as on the rotational frequency. The controllable system may be used to investigate the interplay of interaction and rotation, and to explore more exotic quantum phases.
NASA Astrophysics Data System (ADS)
Delahaye, Thibault; Nikitin, Andrei; Rey, Michaël; Szalay, Péter G.; Tyuterev, Vladimir G.
2014-09-01
In this paper we report a new ground state potential energy surface for ethylene (ethene) C2H4 obtained from extended ab initio calculations. The coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ was employed for computations of electronic ground state energies. The fit of the surface included 82 542 nuclear configurations using sixth order expansion in curvilinear symmetry-adapted coordinates involving 2236 parameters. A good convergence for variationally computed vibrational levels of the C2H4 molecule was obtained with a RMS(Obs.-Calc.) deviation of 2.7 cm-1 for fundamental bands centers and 5.9 cm-1 for vibrational bands up to 7800 cm-1. Large scale vibrational and rotational calculations for 12C2H4, 13C2H4, and 12C2D4 isotopologues were performed using this new surface. Energy levels for J = 20 up to 6000 cm-1 are in a good agreement with observations. This represents a considerable improvement with respect to available global predictions of vibrational levels of 13C2H4 and 12C2D4 and rovibrational levels of 12C2H4.
NASA Astrophysics Data System (ADS)
Margules, L.; Motiyenko, R. A.; Groner, P.; De Chirico, F.; Turk, A.; Cooke, S. A.
2013-06-01
Measurements on the rotational spectrum of 1,1-difluoroacetone have been extended from the cm-wave region into the mm-wave region. Measurements between 150 GHz and 600 GHz were performed a t Lille at room temperature. About 2000 transitions have been added to the known line listing for the ground state. The range of J and K_{-1} values, for both the A and E torsional substates, now span 1 - 60 and 0 - 30, respectively. Analysis of the cm-wave spectrum was only possible using the Watson S-reduced Hamiltonian, with the A-reduction producing a poor spectral fit. For that analysis only quartic centrifugal distortion terms were required. With the newly recorded higher J and K_{-1} measurements it is necessary to expand the Hamiltonian to now include sextic and octic centrifugal distortion terms. This should allow us to extend the assignment to even higher J and K_{-1} and perhaps to shed more light into failure of the A-reduction Hamiltonian to achieve a satisfactory fit for the cm-wave transitions. The effective barrier to methyl group internal rotation has been determined more accurately. G. S. Grubbs II, P. Groner, S. E. Novick and S. A. Cooke J. Mol. Spectrosc. {280} 21-26, 2012.
NASA Astrophysics Data System (ADS)
Goudreau, E. S.; Tokaryk, Dennis W.; Ross, Stephen Cary; Billinghurst, Brant E.
2016-06-01
Despite being an important prototype molecule for intramolecular proton tunnelling, the far-IR spectrum of the internally hydrogen-bonded species malonaldehyde (C_3O_2H_4) is not yet well understood. In the talk I gave at the ISMS meeting in 2015 I discussed the high-resolution spectra we obtained at the Canadian Light Source synchrotron in Saskatoon, Saskatchewan. These spectra include a number of fundamental vibrational bands in the 100-2000 cm-1 region. In our efforts to analyze these bands we have noticed that our ground state combination differences show a large drift (up to an order of magnitude larger than our experimental error) away from those calculated using constants established by Baba et al., particularly in regions of high J (above 30) and low Ka (below 5). An examination of the previous microwave and far-IR studies reveals that this region of J-Ka space was not represented in the lines that Baba et al. used to generate the values for their fitting parameters. By including our own measurements in the fitting, we were able to improve the characterization of the ground state so that it is now consistent with all of the existing data. This characterization now covers a much larger range of J-Ka space and has enabled us to make significant progress in analyzing our far-IR synchrotron spectra. These include an excited vibrational state at 241 cm-1 as well as several states split by the tunnelling effect at higher wavenumber. T. Baba, T. Tanaka, I. Morino, K. M. T. Yamada, K. Tanaka. Detection of the tunneling-rotation transitions of malonaldehyde in the submillimeter-wave region. J. Chem. Phys., 110. 4131-4133 (1999) P. Turner, S. L. Baughcum, S. L. Coy, Z. Smith. Microwave Spectroscopic Study of Malonaldehyde. 4. Vibration-Rotation Interaction in Parent Species. J. Am. Chem. Soc., 106. 2265-2267 (1984) D. W. Firth, K. Beyer, M. A. Dvorak, S. W. Reeve, A. Grushow, K. R. Leopold. Tunable far-infrared spectroscopy of malonaldehyde. J. Chem. Phys., 94. 1812
NASA Astrophysics Data System (ADS)
Antoine, Xavier; Tang, Qinglin; Zhang, Yong
2016-11-01
In this paper, we propose some efficient and robust numerical methods to compute the ground states and dynamics of Fractional Schrödinger Equation (FSE) with a rotation term and nonlocal nonlinear interactions. In particular, a newly developed Gaussian-sum (GauSum) solver is used for the nonlocal interaction evaluation [31]. To compute the ground states, we integrate the preconditioned Krylov subspace pseudo-spectral method [4] and the GauSum solver. For the dynamics simulation, using the rotating Lagrangian coordinates transform [14], we first reformulate the FSE into a new equation without rotation. Then, a time-splitting pseudo-spectral scheme incorporated with the GauSum solver is proposed to simulate the new FSE. In parallel to the numerical schemes, we also prove some existence and nonexistence results for the ground states. Dynamical laws of some standard quantities, including the mass, energy, angular momentum and the center of mass, are stated. The ground states properties with respect to the fractional order and/or rotating frequencies, dynamics involving decoherence and turbulence together with some interesting phenomena are reported.
Delahaye, Thibault Rey, Michaël Tyuterev, Vladimir G.; Nikitin, Andrei; Szalay, Péter G.
2014-09-14
In this paper we report a new ground state potential energy surface for ethylene (ethene) C{sub 2}H{sub 4} obtained from extended ab initio calculations. The coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ was employed for computations of electronic ground state energies. The fit of the surface included 82 542 nuclear configurations using sixth order expansion in curvilinear symmetry-adapted coordinates involving 2236 parameters. A good convergence for variationally computed vibrational levels of the C{sub 2}H{sub 4} molecule was obtained with a RMS(Obs.–Calc.) deviation of 2.7 cm{sup −1} for fundamental bands centers and 5.9 cm{sup −1} for vibrational bands up to 7800 cm{sup −1}. Large scale vibrational and rotational calculations for {sup 12}C{sub 2}H{sub 4}, {sup 13}C{sub 2}H{sub 4}, and {sup 12}C{sub 2}D{sub 4} isotopologues were performed using this new surface. Energy levels for J = 20 up to 6000 cm{sup −1} are in a good agreement with observations. This represents a considerable improvement with respect to available global predictions of vibrational levels of {sup 13}C{sub 2}H{sub 4} and {sup 12}C{sub 2}D{sub 4} and rovibrational levels of {sup 12}C{sub 2}H{sub 4}.
NASA Astrophysics Data System (ADS)
Kawamura, Y.; Nagasawa, T.; Nakai, H.
2001-05-01
We theoretically investigate the internal rotations of the methyl group in methyl-azabenzenes, such as o- and m-methylpyridines, 2-methylpyrazine, 4-methylpyrimidine, 4-methylpyridadine, and 4-methyl-1,2,3-triazine in the ground, excited, and anionic states. The calculated rotational barriers reproduce well the experimental data. Orbital pictures are given for the barrier changes by excitation and electron attachment. An idea of π*-σ* hyperconjugation is applied for a comprehensive interpretation of the barrier changes. A correlation is found between the rotational barriers and the splitting of the lowest and next-lowest unoccupied molecular orbitals.
Brünken, Sandra; Müller, Holger S P; Lewen, Frank; Giesen, Thomas F
2005-10-22
We present an analysis of a global, field-free data set of the methylene radical CH2 in its X 3B1 vibronic ground state by means of a novel Euler expansion of the Hamiltonian. The data set comprises pure rotational transitions up to 2 THz obtained with microwave accuracies of 30-500 kHz as well as nu2 ground-state combination differences and pure rotational data obtained with infrared accuracies of 0.001-0.010 cm(-1). Highly accurate spectroscopic parameters have been determined. These include rotational, spin-spin, spin-rotation, and electron-spin-nuclear-spin coupling terms along with several centrifugal distortion corrections. The spectroscopic model has been tested and improved by recording newly three weak DeltaN not equalDeltaJ fine-structure components of the N(KaKc)=2(12)-3(03) and 5(05)-4(14) transitions near 434, 454, and 581 GHz. These lines were rather close to the predictions. Overall weighted root mean squares of 1.28 and 0.83 were achieved for fits in which the Euler expansion was used only for the rotational part of the Hamiltonian or for the rotational and spin-spin terms of the Hamiltonian, respectively. The resulting spectroscopic parameters allow for precise frequency predictions of astrophysically important rotational transitions of methylene.
NASA Astrophysics Data System (ADS)
Endres, C. P.; Drouin, B. J.; Pearson, J. C.; Müller, H. S. P.; Lewen, F.; Schlemmer, S.; Giesen, T. F.
2009-09-01
Dimethyl ether (CH_3OCH_3) is one of the largest organic molecules detected in the interstellar medium. As an asymmetric top molecule with two methyl groups which undergo large amplitude motions and a dipole moment of μ=1.3 D, it conveys a dense spectrum throughout the terahertz region and contributes to the spectral line confusion in astronomical observations at these frequencies. In this paper, we present rotational spectra of dimethyl ether in its ground vibrational states, which have been measured in the laboratory and analyzed covering frequencies up to 2.1 THz. The analysis is based on an effective Hamiltonian for a symmetric two-top rotor and includes experimental data published so far. Frequency predictions are presented up to 2.5 THz for astronomical applications with accuracies better than 1 MHz. Table A.1 is only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/504/635
NASA Astrophysics Data System (ADS)
Lis, D. C.; Gerin, M.; Roueff, E.; Vastel, C.; Phillips, T. G.
2006-01-01
We report the first detection of the NKAKC=111-->000 and 110-->000 ground state rotational lines of o-ND2H at 335.5 and 388.7 GHz, obtained in the Lynds 1689N, Barnard 1, and Lynds 1544 molecular clouds using the Caltech Submillimeter Observatory (CSO). The submillimeter ND2H lines have moderate opacities and simple hyperfine patterns, which allow accurate determination of the excitation temperature, H2 volume density, and molecular column density. Both transitions have high critical densities. The 389 GHz line, in particular, traces molecular material with densities above a few × 106 cm-3. The strong 389 GHz ND2H emission in LDN 1689N implies a high fraction of dense gas in this source, ~30%, as compared to ~15% in B1 and LDN 1544. All these regions are sites of strong molecular depletion and heavy deuteration. Nonaccreting molecules, H+3 and its isotopologues, are difficult to study, but in the sources studied here it appears that ammonia and its isotopologues are not completely frozen out, even in the high density gas. In the well-studied case of LDN 1544, the volume probed by the ND2H emission has densities of ~106-107 cm-3, within the range where the ``complete freezeout'' has been predicted to occur. The critical density of the 389 GHz ND2H line is close to that of the 309 GHz ND3 line. Observations of these two transitions thus provide an accurate measure of the [ND3]/[ND2H] fractionation ratio in the very dense gas. The [ND3]/[ND2H] ratio in LDN 1689N (~3%) appears lower than the values measured in B1 and LDN 1544 (~7%-10%), indicating that different chemical processes may be at work in these environments. The submillimeter lines of deuteroammonia are relatively strong and detectable from good sites, such as Mauna Kea or Chajnantor. Interferometric observations of these lines with the Submillimeter Array (SMA), and subsequently the Atacama Large Millimeter Array (ALMA), will provide new opportunities to study the physics and chemistry of cold, dense ISM
Defazio, Paolo; Petrongolo, Carlo
2009-04-23
We present a quantum study of the reaction F((2)P) + HCl(X(1)Sigma(+)) --> HF(X(1)Sigma(+)) + Cl((2)P) on a recently computed 1(2)A' ground-state surface, considering HCl in the ground vibrational state, with up to 16 rotational quanta j(0). We employ the real wavepacket (WP) and flux methods for calculating coupled-channel (CC) and centrifugal-sudden (CS) initial-state probabilities up to J = 80 and 140, respectively. We also report CC and CS ground-state cross sections and CS excited-state cross sections and discuss the dynamics analyzing WP time evolutions. The HCl rotation highly enhances reaction probabilities and cross sections, as it was previously found for probabilities at J rotation to the F-H---Cl reactive vibration. WP snapshots confirm and explain the HCl rotational effects, because the density into the nearly collinear F-H---Cl product channel increases remarkably with j(0). Finally, our CS rate constant is underestimated with respect to the experiment, pointing out the need of more accurate multisurface and CC calculations.
NASA Astrophysics Data System (ADS)
Ambruş, Victor E.; Winstanley, Elizabeth
2014-06-01
We revisit the definition of rotating thermal states for scalar and fermion fields in unbounded Minkowski space-time. For scalar fields such states are ill-defined everywhere, but for fermion fields an appropriate definition of the vacuum gives thermal states regular inside the speed-of-light surface. For a massless fermion field, we derive analytic expressions for the thermal expectation values of the fermion current and stress-energy tensor. These expressions may provide qualitative insights into the behaviour of thermal rotating states on more complex space-time geometries.
NASA Astrophysics Data System (ADS)
Liu, Yan; Zhang, Su-Ying
2016-09-01
The ground states of two-component miscible Bose–Einstein condensates (BECs) confined in a rotating annular trap are obtained by using the Thomas–Fermi (TF) approximation method. The ground state density distribution of the condensates experiences a transition from a disc shape to an annulus shape either when the angular frequency increases and the width and the center height of the trap are fixed, or when the width and the center height of the trap increase and the angular frequency is fixed. Meantime the numerical solutions of the ground states of the trapped two-component miscible BECs with the same condition are obtained by using imaginary-time propagation method. They are in good agreement with the solutions obtained by the TF approximation method. The ground states of the trapped two-component immiscible BECs are also given by using the imaginary-time propagation method. Furthermore, by introducing a normalized complex-valued spinor, three kinds of pseudospin textures of the BECs, i.e., giant skyrmion, coaxial double-annulus skyrmion, and coaxial three-annulus skyrmion, are found. Project supported by the National Natural Science Foundation of China (Grant Nos. 91430109 and 11404198), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20111401110004), and the Natural Science Foundation of Shanxi Province, China (Grant No. 2014011005-3).
NASA Astrophysics Data System (ADS)
Liu, Yan; Zhang, Su-Ying
2016-09-01
The ground states of two-component miscible Bose-Einstein condensates (BECs) confined in a rotating annular trap are obtained by using the Thomas-Fermi (TF) approximation method. The ground state density distribution of the condensates experiences a transition from a disc shape to an annulus shape either when the angular frequency increases and the width and the center height of the trap are fixed, or when the width and the center height of the trap increase and the angular frequency is fixed. Meantime the numerical solutions of the ground states of the trapped two-component miscible BECs with the same condition are obtained by using imaginary-time propagation method. They are in good agreement with the solutions obtained by the TF approximation method. The ground states of the trapped two-component immiscible BECs are also given by using the imaginary-time propagation method. Furthermore, by introducing a normalized complex-valued spinor, three kinds of pseudospin textures of the BECs, i.e., giant skyrmion, coaxial double-annulus skyrmion, and coaxial three-annulus skyrmion, are found. Project supported by the National Natural Science Foundation of China (Grant Nos. 91430109 and 11404198), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20111401110004), and the Natural Science Foundation of Shanxi Province, China (Grant No. 2014011005-3).
NASA Astrophysics Data System (ADS)
Lipus, K.; Simon, U.; Bachem, E.; Nelis, Th.; Urban, W.
We report the first direct observation of the vibration-rotation spectrum of nickel-deuteride in its X2Δ ground state by CO-Faraday-L.M.R. spectroscopy. A set of effective molecular parameters is given. We present first results on the vibration-rotation spectroscopy of NiH, employing a tunable diode laser spectrometer.
Examining Rotational Ground Motion Induced by Tornados
NASA Astrophysics Data System (ADS)
Kessler, Elijah; Dunn, Robert
2016-03-01
Ring lasers are well known for their ability to detect rotation and to serve as replacements for mechanical gyroscopes. The sensitivity of large ring lasers to various forms of ground motion is less familiar. Since ring lasers preferentially measure rotational ground motion and a standard seismograph is designed to measure translational and vertical ground motion, each device responds to different aspects of ground movement. Therefore, the two instruments will be used to explore responses to microseisms, earthquake generated shear waves, and in particular tornado generated ground movement. On April 27, 2014 an EF4 tornado devastated Vilonia, AR a small town ~ 21 km from the Hendrix College ring laser. The proximity of the tornado's path to the ring laser interferometer and to a seismograph located in Vilonia provided the opportunity to examine the response of these instruments to tornadic generated ground motion. Our measurements suggest tornadic weather systems can produce both rotational and lateral ground motion. This contention is supported by an after the fact damage survey which found that the tornado flattened a forest in which trees were uprooted and laid down in a pair of converging arcs with the centerline pointed in the direction of the tornado's path.
Ground-state properties of strontium isotopes
Baran, A.; Hoehenberger, W.
1995-10-01
We present systematic constrained Hartree-Fock calculations of ground-state properties of even strontium isotopes ({ital A}=76--100) with the Skyrme interaction. Approximate projection of angular momentum is done after variation by explicit inclusion of the rotational energy {minus}{l_angle}{ital {cflx j}}{sup 2}{sub {ital x}}{r_angle}/J. This procedure allows for the determination of the ground-state deformations as well as the low rotational states. The binding energies, rms radii, quadrupole moments, and rotational states are discussed.
Portable sensor technology for rotational ground motions
NASA Astrophysics Data System (ADS)
Bernauer, Felix; Wassermann, Joachim; Guattari, Frédéric; Igel, Heiner
2016-04-01
In this contribution we present performance characteristics of a single component interferometric fiber-optic gyroscope (IFOG). The prototype sensor is provided by iXBlue, France. It is tested in the framework of the European Research Council Project, ROMY (Rotational motions - a new observable for seismology), on its applicability as a portable and field-deployable sensor for rotational ground motions. To fully explore the benefits of this new seismic observable especially in the fields of vulcanology, ocean generated noise and geophysical exploration, such a sensor has to fulfill certain requirements regarding portability, power consumption, time stamping stability and dynamic range. With GPS-synchronized time stamping and miniseed output format, data acquisition is customized for the use in seismology. Testing time stamping accuracy yields a time shift of less than 0.0001 s and a correlation coefficient of 0.99 in comparison to a commonly used data acquisition system, Reftek 120. Sensor self-noise is below 5.0 ṡ 10-8 rads-1Hz-1/2 for a frequency band from 0.001 Hz to 5.0 Hz. Analysis of Allan deviation shows an angle random walk of 3.5 ṡ 10-8 rads-1Hz-1/2. Additionally, the operating range diagram is shown and ambient noise analysis is performed. The sensitivity of sensor self-noise to variations in surrounding temperature and magnetic field is tested in laboratory experiments. With a power consumption of less than 10 W, the whole system (single component sensor + data acquisition) is appropriate for field use with autonomous power supply.
NASA Astrophysics Data System (ADS)
Mürtz, P.; Zink, L. R.; Evenson, K. M.; Brown, J. M.
1998-12-01
Thirteen new rotational transitions of H2O+ in the (0,0,0) level of the X˜ 2B1 state have been measured in the wavenumber region between 80 and 200 cm-1 (50 and 120 μm) by far-infrared laser magnetic resonance (LMR) spectroscopy. LMR data measured previously between 25 and 90 cm-1 (110 and 400 μm), as well as optical and infrared combination differences, have been combined with the new LMR data in a weighted least-squares analysis using an A-reduced expression of the rotational-fine structure Hamiltonian. Thirty-two molecular constants were simultaneously determined, some sextic centrifugal distortion parameters and some quartic and sextic spin-rotation parameters for the first time. From this improved set of molecular parameters, very accurate calculations of rotational term values and zero-field predictions of the 111-000 transition, including hyperfine structure, have been performed. Moreover, the electronic g-tensors and the hyperfine coupling constants are consistent with ab initio calculations which had been carried out for these constants.
The effect of the earth's rotation on ground water motion.
Loáiciga, Hugo A
2007-01-01
The average pore velocity of ground water according to Darcy's law is a function of the fluid pressure gradient and the gravitational force (per unit volume of ground water) and of aquifer properties. There is also an acceleration exerted on ground water that arises from the Earth's rotation. The magnitude and direction of this rotation-induced force are determined in exact mathematical form in this article. It is calculated that the gravitational force is at least 300 times larger than the largest rotation-induced force anywhere on Earth, the latter force being maximal along the equator and approximately equal to 34 N/m(3) there. This compares with a gravitational force of approximately 10(4) N/m(3).
Ground states of holographic superconductors
Gubser, Steven S.; Nellore, Abhinav
2009-11-15
We investigate the ground states of the Abelian Higgs model in AdS{sub 4} with various choices of parameters, and with no deformations in the ultraviolet other than a chemical potential for the electric charge under the Abelian gauge field. For W-shaped potentials with symmetry-breaking minima, an analysis of infrared asymptotics suggests that the ground state has emergent conformal symmetry in the infrared when the charge of the complex scalar is large enough. But when this charge is too small, the likeliest ground state has Lifshitz-like scaling in the infrared. For positive mass quadratic potentials, Lifshitz-like scaling is the only possible infrared behavior for constant nonzero values of the scalar. The approach to Lifshitz-like scaling is shown in many cases to be oscillatory.
Spudich, P.; Fletcher, Joe B.
2009-01-01
In two previous articles we presented a formulation for inferring the strains and rotations of the ground beneath a seismic array having a finite footprint. In this article we derive expressions for the error covariance matrices of the inferred strains and rotations, and we present software for the calculation of ground strains, rotations, and their variances from short baseline array ground-motion data.
Phase transitions for rotational states within an algebraic cluster model
NASA Astrophysics Data System (ADS)
López Moreno, E.; Morales Hernández, G. E.; Hess, P. O.; Yépez Martínez, H.
2016-07-01
The ground state and excited, rotational phase transitions are investigated within the Semimicroscopic Algebraic Cluster Model (SACM). The catastrophe theory is used to describe these phase transitions. Short introductions to the SACM and the catastrophe theory are given. We apply the formalism to the case of 16O+α→20Ne.
Moving Toward the Ground State.
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. PMID:26431178
Metastable feshbach molecules in high rotational states.
Knoop, S; Mark, M; Ferlaino, F; Danzl, J G; Kraemer, T; Nägerl, H-C; Grimm, R
2008-02-29
We experimentally demonstrate Cs2 Feshbach molecules well above the dissociation threshold, which are stable against spontaneous decay on the time scale of 1 s. An optically trapped sample of ultracold dimers is prepared in a high rotational state and magnetically tuned into a region with a negative binding energy. The metastable character of these molecules arises from the large centrifugal barrier in combination with negligible coupling to states with low rotational angular momentum. A sharp onset of dissociation with increasing magnetic field is mediated by a crossing with a lower rotational dimer state and facilitates dissociation on demand with a well-defined energy. PMID:18352621
NASA Astrophysics Data System (ADS)
Ilyushin, V.; Armieieva, Iuliia; Dorovskaya, Olga; Alekseev, E. A.; Tudorie, Marcela; Motiyenko, R. A.; Margulès, L.; Pirali, Olivier; Drouin, Brian
2016-06-01
A new global study of the acetone (CH_3)_2CO spectrum is reported. The new microwave measurements covering the frequency range from 34 GHz to 940 GHz have been carried out using spectrometers in IRA NASU (Ukraine) and PhLAM Lille (France). The far infrared spectrum of acetone has been recorded on the AILES beamline of the synchrotron SOLEIL using a Fourier transform infrared spectrometer coupled to a long path cell. The transitions belonging to the three lowest torsional states as well as to the observed fundamental band associated with the methyl-top torsion mode (νb{17} = 1) have been analyzed using recently developed model for the molecules with two equivalent methyl rotors and C2v symmetry at equilibrium (PAM_C2v_2tops program). The dataset consisting of more than 26100 microwave and 1100 FIR line frequencies and including transitions with J up to 89 was fit using a model consisting of 119 parameters and weighted root-mean-square deviation of 0.89 has been achieved. In the talk the details of this new study will be discussed. V. Ilyushin, J.T. Hougen J. Mol. Spectrosc. 289 (2013) 41-49.
Quantum Hall States in Rotating Spin-1 Bose Systems
NASA Astrophysics Data System (ADS)
Read, Nicholas
2003-03-01
It has been pointed out that when cold atoms in a trap are rotated rapidly, the system can be mapped onto the quantum Hall effect situation of charged particles in a magnetic field, by passing to the rotating frame. For spinless bosons, as the rotation rate increases, the Bose condensate first develops a vortex lattice, then at high rotation rate this is replaced by a sequence of quantum liquids, which are quantum Hall states of bosons. Numerical work [1] has indicated that there is a sequence of these that are well-described by the parafermion states of Read-Rezayi [2]. For spin-1 bosons, we describe here two sequences of spin-singlet quantum Hall states, with applications to the ground states of a standard model Hamiltonian for this system [3]. We also describe the states at low rotation rates, where various spin textures occur. [1] N.R. Cooper, N.K. Wilkin, and J.M.F. Gunn, Phys. Rev. Lett. 87, 120405 (2001). [2] N. Read and E. Rezayi, Phys. Rev. B 59, 8084 (1999). [3] J.W. Reijnders, F.J.M. Lankvelt, K. Schoutens, and N. Read, Phys. Rev. Lett. 89, 120401 (2002).
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.
Magnetization ground state and reversal modes of magnetic nanotori
NASA Astrophysics Data System (ADS)
Vojkovic, Smiljan; Nunez, Alvaro S.; Altbir, Dora; Carvalho-Santos, Vagson L.
2016-07-01
In this work, and by means of micromagnetic simulations, we study the magnetic properties of toroidal nanomagnets. The magnetization ground state for different values of the aspect ratio between the toroidal and polar radii of the nanotorus has been obtained. Besides, we have shown that the vortex and the in-plane single domain states can appear as ground states for different ranges of the aspect ratio, while a single domain state with an out-of-plane magnetization is not observed. The hysteresis curves are also obtained, evidencing the existence of two reversal modes depending on the geometry: a vortex mode and a coherent rotation. A comparison between toroidal and cylindrical nanoparticles has been performed evidencing that nanotori can accommodate a vortex as the ground state for smaller volume than cylindrical nanorings.
Rotational Action Spectroscopy via State-Selective Helium Attachment
NASA Astrophysics Data System (ADS)
Kluge, Lars; Stoffels, Alexander; Brünken, Sandra; Asvany, Oskar; Schlemmer, Stephan
2015-06-01
Helium atoms can attach to molecular cations via ternary collision processes forming weakly bound (≈ 1 kcal/mol) He-M^+ complexes. We developed a novel sensitive action spectroscopic scheme for molecular ions based on an observed rotational state dependency of the He attachment process [1]. A detailed account of the underlying kinetics will be presented on the example of the CD^+ ion, where our studies indicate a decrease of around 50% for the rotational state dependent ternary He attachment rate coefficient of the J=1 level with respect to the J=0 level. Experiments are performed on mass-selected ions stored in a temperature-variable (T≥ 3.9~K) cryogenic rf 22-pole ion trap in the presence of a high number density of He (≈ 1015 cm-3) [2]. Rotational spectra of the bare ions are recorded by measuring the change in the number of formed He-M^+ complexes after a certain storage time as a function of excitation wavelength. Here we will also present the first measurements of the rotational ground state transitions of CF^+ (J=1-0, hfs resolved) and NH_3D^+ (J_K=1_0-0_0), recorded in this way. [1] Brünken et al., ApJL 783, L4 (2014) [2] Asvany et al., Applied Physics B 114, 203 (2014)
Adiabatic rotation, quantum search, and preparation of superposition states
NASA Astrophysics Data System (ADS)
Siu, M. Stewart
2007-06-01
We introduce the idea of using adiabatic rotation to generate superpositions of a large class of quantum states. For quantum computing this is an interesting alternative to the well-studied “straight line” adiabatic evolution. In ways that complement recent results, we show how to efficiently prepare three types of states: Kitaev’s toric code state, the cluster state of the measurement-based computation model, and the history state used in the adiabatic simulation of a quantum circuit. We also show that the method, when adapted for quantum search, provides quadratic speedup as other optimal methods do with the advantages that the problem Hamiltonian is time independent and that the energy gap above the ground state is strictly nondecreasing with time. Likewise the method can be used for optimization as an alternative to the standard adiabatic algorithm.
Rotational bands in 11B and identification of diluted states
NASA Astrophysics Data System (ADS)
Demyanova, A. S.; Danilov, A. N.; Ogloblin, A. A.; Goncharov, S. A.; Belyaeva, T. L.; Trzaska, W.
2016-06-01
Differential cross-sections of the 11B + α inelastic scattering at E(α) = 65 leading to the most of the known 11B states at the excitation energies up to 14 MeV were measured. The data analysis was done by DWBA and in some cases by the modified diffraction model allowing determining the radii of the excited states. The radii of the states with excitation energies less than ∼ 7 MeV with the accuracy not less than 0.1-0.15 fm coincide with the radius of the ground state. This result is consistent with the traditional view of the shell structure of the low-lying states in 11B. Most of the observed high-energy excited states are distributed among four rotational bands. The moments of inertia of band states are close to the moment of inertia of the Hoyle state of 12C. The calculated radii, related to these bands, are 0.7 - 1.0 fm larger than the radius of the ground state, and are close to the radius of the Hoyle state. These results are in agreement with existing predictions about various cluster structure of 11B at high excitation energies. The state with the excitation energy 12.56 MeV, I π = 1/2+, T = 1/2 and the root mean square radius R ∼ 6 fm predicted in the frame of the alpha condensate hypothesis was not found.
Terahertz spectroscopy of ground state HD18O
NASA Astrophysics Data System (ADS)
Yu, Shanshan; Pearson, John C.; Drouin, Brian J.; Miller, Charles E.; Kobayashi, Kaori; Matsushima, Fusakazu
2016-10-01
Terahertz absorption spectroscopy was employed to measure the ground state pure rotational transitions of the water isotopologue HD18O . A total of 105 pure rotational transitions were observed in the 0.5-5.0 THz region with ∼ 100 kHz accuracy for the first time. The observed positions were fit to experimental accuracy using the Euler series expansion of the asymmetric-top Hamiltonian together with the literature Microwave, Far-IR and IR data in the ground state and ν2 . The new measurements and predictions reported here support the analysis of astronomical observations by high-resolution spectroscopic telescopes such as SOFIA and ALMA where laboratory rest frequencies with uncertainties of 1 MHz or less are required for proper analysis of velocity resolved astrophysical data.
Effects of rotational states on the c /a ratio in solid hydrogens
NASA Astrophysics Data System (ADS)
Strzhemechny, Mikhail A.; Hemley, Russell J.
2015-04-01
We propose an approach to the problem of lattice distortions at low temperatures and ambient pressure in the solid hydrogens in their rotational ground states that explicitly accounts for the molecular nature of the constituent particles. The model is based on the idea that the second-order rotation-related correction to the ground-state energy depends on the lattice parameters. The calculated ground-state rotation-related contributions, δgs=c /a -(8/3 ) 1 /2 , are negative for all species, amounting to about -1.5 ×10-5 for H2 and D2, whereas for HD this contribution is about -0.6 ×10-3 , which is roughly 50 times larger. This substantial difference stems from the fact that the rotational dynamics in the homonuclear solids and in HD differ appreciably. The approach can be generalized to high pressures.
Ground effect on the pressure distribution on an ellipsoid of rotation immersed in flow
NASA Astrophysics Data System (ADS)
Schmitt, Heiko; Schneider, Gert R.
The steady three-dimensional laminar flow of an incompressible viscous fluid around an ellipsoid of rotation is investigated analytically, with a focus on the case where (1) the ellipsoid axis of rotation forms an angle (alpha) with an infinite ground plane and (2) the flow direction is parallel to the ground plane and to the vertical projection of the rotation axis on the plane. The problem formulation and the numerical solution method are outlined, and results for alpha = 10 deg are presented in graphs. It is found that, near the ground, the ellipsoid is acted on by an additional force directed toward the ground.
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
Triplet (S = 1) Ground State Aminyl Diradical
Rajca, Andrzej; Shiraishi, Kouichi; Pink, Maren; Rajca, Suchada
2008-04-02
Aminyl diradical, which is stable in solution at low temperatures, is prepared. EPR spectra and SQUID magnetometry indicate that the diradical is planar and it possesses triplet ground state, with strong ferromagnetic coupling.
Mizel, Ari
2004-07-01
Ground-state quantum computers mimic quantum-mechanical time evolution within the amplitudes of a time-independent quantum state. We explore the principles that constrain this mimicking. A no-cloning argument is found to impose strong restrictions. It is shown, however, that there is flexibility that can be exploited using quantum teleportation methods to improve ground-state quantum computer design.
Ground State and Excited State H-Atom Temperatures in a Microwave Plasma Diamond Deposition Reactor
NASA Astrophysics Data System (ADS)
Gicquel, A.; Chenevier, M.; Breton, Y.; Petiau, M.; Booth, J. P.; Hassouni, K.
1996-09-01
Ground electronic state and excited state H-atom temperatures are measured in a microwave plasma diamond deposition reactor as a function of a low percentage of methane introduced in the feed gas and the averaged input microwave power density. Ground state H-atom temperatures (T_H) and temperature of the H-atom in the n=3 excited state (T_{Hα}) are obtained from the measurements respectively of the excitation profile by Two-photon Allowed transition Laser Induced Fluorescence (TALIF) and the Hα line broadening by Optical Emission Spectroscopy (OES). They are compared to gas temperatures calculated with a 1D diffusive non equilibrium H{2} plasma flow model and to ground electronic state rotational temperatures of molecular hydrogen measured previously by Coherent Anti-Stokes Raman Spectroscopy.
Trapped antihydrogen in its ground state.
Gabrielse, G; Kalra, R; Kolthammer, W S; McConnell, R; Richerme, P; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D W; George, M C; Hessels, E A; Storry, C H; Weel, M; Müllers, A; Walz, J
2012-03-16
Antihydrogen atoms (H¯) are confined in an Ioffe trap for 15-1000 s-long enough to ensure that they reach their ground state. Though reproducibility challenges remain in making large numbers of cold antiprotons (p¯) and positrons (e(+)) interact, 5±1 simultaneously confined ground-state atoms are produced and observed on average, substantially more than previously reported. Increases in the number of simultaneously trapped H¯ are critical if laser cooling of trapped H¯ is to be demonstrated and spectroscopic studies at interesting levels of precision are to be carried out.
Transport properties of ground state oxygen atoms
NASA Technical Reports Server (NTRS)
Holland, Paul M.; Biolsi, Louis
1988-01-01
The transport properties of dilute monatomic gases depend on the two-body interactions between like atoms. When two ground-state oxygen atoms interact, they can follow any of 18 potential energy curves corresponding to O2, all of which contribute to the transport properties of the ground-state atoms. Transport collision integrals have been calculated for those interactions with an attractive minimum in the potential, and repulsive ab initio potential-energy curves have been accurately represented. Results are given for viscosity, thermal conductivity, and diffusion and they are compared with previous theoretical calculations.
NEW GROUND-STATE MEASUREMENTS OF ETHYL CYANIDE
Brauer, Carolyn S.; Pearson, John C.; Drouin, Brian J.; Yu, Shanshan
2009-09-01
The spectrum of ethyl cyanide, or propionitrile (CH{sub 3}CH{sub 2}CN), has been repeatedly observed in the interstellar medium with large column densities and surprisingly high temperatures in hot core sources. The construction of new, more sensitive, observatories accessing higher frequencies such as Herschel, ALMA, and SOFIA have made it important to extend the laboratory data for ethyl cyanide to coincide with the capabilities of the new instruments. We report extensions of the laboratory measurements of the rotational spectrum of ethyl cyanide in its ground vibrational state to 1.6 THz. A global analysis of the ground state, which includes all of the previous data and 3356 newly assigned transitions, has been fitted to within experimental error to J = 132, K = 36, using both Watson A-reduced and Watson S-reduced Hamiltonians.
Steady States of the Parametric Rotator and Pendulum
ERIC Educational Resources Information Center
Bouzas, Antonio O.
2010-01-01
We discuss several steady-state rotation and oscillation modes of the planar parametric rotator and pendulum with damping. We consider a general elliptic trajectory of the suspension point for both rotator and pendulum, for the latter at an arbitrary angle with gravity, with linear and circular trajectories as particular cases. We treat the…
Mass coefficient and Grodzins relation for the ground-state band and {gamma} band
Jolos, R. V.; Brentano, P. von
2006-12-15
It is shown that the available experimental data on the energies of the first and the {gamma}-vibrational 2{sup +} states and the reduced E2 transition probabilities from these states to the ground state require for the explanation significantly different values of the mass coefficients for the rotational motion and {gamma}-vibrations.
A high precision, compact electromechanical ground rotation sensor.
Dergachev, V; DeSalvo, R; Asadoor, M; Bhawal, A; Gong, P; Kim, C; Lottarini, A; Minenkov, Y; Murphy, C; O'Toole, A; Peña Arellano, F E; Rodionov, A V; Shaner, M; Sobacchi, E
2014-05-01
We present a mechanical rotation sensor consisting of a balance pivoting on a tungsten carbide knife edge. These sensors are important for precision seismic isolation systems, as employed in land-based gravitational wave interferometers and for the new field of rotational seismology. The position sensor used is an air-core linear variable differential transformer with a demonstrated noise floor of 1 × 10⁻¹¹ m/√Hz. We describe the instrument construction and demonstrate low noise operation with a noise floor upper bound of 5.7 × 10⁻⁹ rad/√Hz at 10 mHz and 6.4 × 10⁻¹⁰ rad/√Hz at 0.1 Hz. The performance of the knife edge hinge is compatible with a behaviorur free of noise from dislocation self-organized criticality. PMID:24880388
A high precision, compact electromechanical ground rotation sensor
Dergachev, V.; DeSalvo, R.; Asadoor, M.; Bhawal, A.; Gong, P.; Kim, C.; Lottarini, A.; Minenkov, Y.; Murphy, C.; O'Toole, A.; Peña Arellano, F. E.; and others
2014-05-15
We present a mechanical rotation sensor consisting of a balance pivoting on a tungsten carbide knife edge. These sensors are important for precision seismic isolation systems, as employed in land-based gravitational wave interferometers and for the new field of rotational seismology. The position sensor used is an air-core linear variable differential transformer with a demonstrated noise floor of 1 × 10{sup −11}m/√( Hz ). We describe the instrument construction and demonstrate low noise operation with a noise floor upper bound of 5.7 × 10{sup −9} rad /√( Hz ) at 10 mHz and 6.4 × 10{sup −10} rad /√( Hz ) at 0.1 Hz. The performance of the knife edge hinge is compatible with a behaviorur free of noise from dislocation self-organized criticality.
Inversion for seismic moment tensors combining translational and rotational ground motions
NASA Astrophysics Data System (ADS)
Donner, S.; Bernauer, M.; Igel, H.
2016-10-01
We assess the potential of additional rotational ground motions to increase the resolution of the full seismic moment tensor and its centroid depth during waveform inversion. For this purpose, we set up a test case of a shallow, medium-sized strike-slip source. In two scenarios, one based on theoretical station distribution and the other based on real station distribution, we compare the results based on inversion of translational ground motion data only and based on both, translational and rotational ground motion data. The inversion is done with a Bayesian approach to overcome the drawbacks of deterministic approaches and provide a comprehensive quantification of uncertainties. Our results indicate that the resolution of the moment tensor can be increased drastically by incorporating rotational ground motion data. Especially, the usually problematic components Mxz and Myz as well as all components containing spatial derivatives with depth benefit most. Also, the resolution of the centroid depth is much better.
Solid State Replacement of Rotating Mirror Cameras
Frank, A M; Bartolick, J M
2006-08-25
Rotating mirror cameras have been the mainstay of mega-frame per second imaging for decades. There is still no electronic camera that can match a film based rotary mirror camera for the combination of frame count, speed, resolution and dynamic range. The rotary mirror cameras are predominantly used in the range of 0.1 to 100 micro-seconds per frame, for 25 to more than a hundred frames. Electron tube gated cameras dominate the sub microsecond regime but are frame count limited. Video cameras are pushing into the microsecond regime but are resolution limited by the high data rates. An all solid state architecture, dubbed ''In-situ Storage Image Sensor'' or ''ISIS'', by Prof. Goji Etoh, has made its first appearance into the market and its evaluation is discussed. Recent work at Lawrence Livermore National Laboratory has concentrated both on evaluation of the presently available technologies and exploring the capabilities of the ISIS architecture. It is clear though there is presently no single chip camera that can simultaneously match the rotary mirror cameras, the ISIS architecture has the potential to approach their performance.
Trapping cold ground state argon atoms.
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).
Short Rotation Crops in the United States
Wright, L L
1998-06-04
The report is based primarily on the results of survey questions sent to approximately 60 woody and 20 herbaceous crop researchers in the United States and on information from the U.S. Department of Energy's Bioenergy Feedstock Development Program. Responses were received from 13 individuals involved in woody crops research or industrial commercialization (with 5 of the responses coming from industry). Responses were received from 11 individuals involved in herbaceous crop research. Opinions on market incentives, technical and non-technical barriers, and highest priority research and development areas are summarized in the text. Details on research activities of the survey responders are provided as appendices to the paper. Woody crops grown as single-stem systems (primarily Populus and Eucalyptus species) are perceived to have strong pulp fiber and oriented strand board markets, and the survey responders anticipated that energy will comprise 25% or less of the utilization of single-stem short-rotation woody crops between now and 2010. The only exception was a response from California where a substantial biomass energy market does currently exist. Willows (Salix species) are only being developed for energy and only in one part of the United States at present. Responses from herbaceous crop researchers suggested frustration that markets (including biomass energy markets) do not currently exist for the crop, and it was the perception of many that federal incentives will be needed to create such markets. In all crops, responses indicate that a wide variety of research and development activities are needed to enhance the yields and profitability of the crops. Ongoing research activities funded by the U.S. Department of Energy's Bioenergy Feedstock Development Program are described in an appendix to the paper.
Superdeformed states in rotating152Dy
NASA Astrophysics Data System (ADS)
Strutinsky, V. M.
1987-09-01
The recently observed gamma-spectrum of152Dy at angular momenta 25>~ I>~60 is interpreted in terms of a strongly deformed shape isomer. A pronounced minimum is found for these angular momenta in the sum of liquid-drop energy (including rotational part) and shell-correction (calculated in the Nilsson model) of152Dy. The general criteria for stability of this minimum against rotation are discussed.
Magnetic properties of ground-state mesons
NASA Astrophysics Data System (ADS)
Šimonis, V.
2016-04-01
Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties ( i.e., usual magnetic moments) to be of sufficiently high quality, too.
Ground state energy of large polaron systems
Benguria, Rafael D.; Frank, Rupert L.; Lieb, Elliott H.
2015-02-15
The last unsolved problem about the many-polaron system, in the Pekar–Tomasevich approximation, is the case of bosons with the electron-electron Coulomb repulsion of strength exactly 1 (the “neutral case”). We prove that the ground state energy, for large N, goes exactly as −N{sup 7/5}, and we give upper and lower bounds on the asymptotic coefficient that agree to within a factor of 2{sup 2/5}.
Ground State Studies of Spin Glass Models.
NASA Astrophysics Data System (ADS)
Kolan, Amy Joanne
The ground state energy and degeneracy for a set of spin glass models, PQR models, has been studied in detail. For the pure frustration case, a subset of the general PQR case, we have studied the spacial distribution of frustrated plaquettes at T = 0. We investigated the "frustration -frustration" correlation function, which involved a series expansion analysis and a computer analysis, to examine a phase transition mechanism proposed by Schuster (1981). Schuster suggested that a pair of plaquettes is bound together above, and dissociated below a critical concentration of antiferromagnetic bonds. Our analysis, however, led us to conclude that there is no sharp "unbinding" of frustration pairs. We have developed an efficient algorithm to compute the ground state energy and degeneracy of sample PQR lattices and have studied the general PQR model numerically. Our algorithm is similar in essence to Morgenstern and Binder's (1980) transfer matrix approach used to calculate the partition function of a sample of spins in the pure frustration case. The algorithm involves computing times of order ALM 2('L), where L is the width of the lattice, M is the length, and A is a constant of proportionality. We have used the results of our analysis to investigate the possibility of a paramagnetic (<--->) spin glass phase transition in the PQR model at T = 0. Although scatter in our results for the ground state degeneracy/spin obscures evidence of a possible non-analyticity in this function, we do see evidence of a "break" in the curves for the ground state energy/spin. We have used this "break" to plot the phase transition line between the spin glass and paramagnetic regimes.
Ground state searches in fcc intermetallics
Wolverton, C.; de Fontaine, D. ); Ceder, G. ); Dreysse, H. . Lab. de Physique du Solide)
1991-12-01
A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration.
NASA Astrophysics Data System (ADS)
Hougen, Jon T.
2011-05-01
In the first part of this paper an effective Hamiltonian for a non-rotating diatomic molecule containing only crystal-field and spin-orbit operators is set up to describe the energies of the five spin-orbit components that arise in the ground electronic configuration of the nickel monohalides. The model assumes that bonding in the nickel halides has the approximate form Ni +X -, with an electronic 3d 9 configuration plus closed shells on the Ni + moiety and a closed shell configuration on the X - moiety. From a crystal-field point of view, interactions of the positive d-hole with the cylindrically symmetrical electric charge distribution of the hypothetical NiX - closed-shell core can then be parameterized by three terms in a traditional expansion in spherical harmonics: C0 + C2Y20( θ, ϕ) + C4Y40( θ, ϕ). Interaction of the hole with the magnetic field generated by its own orbital motion can be parameterized by a traditional spin-orbit interaction operator A L · S. The Hamiltonian matrix is set up in a basis set consisting of the 10 Hund's case (a) basis functions | L, Λ; S , Σ> that arise when L = 2 and S = 1/2. Least-squares fits of the observed five spin-orbit components of the three lowest electronic states in NiF and NiCl are then carried out in terms of the four parameters C0, C2, C4, and A which lead to good agreement, except for the two | Ω| = 1/2 states. The large equal and opposite residuals of the | Ω| = 1/2 states can be reduced to values comparable with those for the | Ω| = 3/2 and | Ω| = 5/2 states by fixing A to its value in Ni + and then introducing an empirical correction factor for one off-diagonal orbital matrix element. In the second part of this paper the usual effective Hamiltonian B( J- L- S) 2 for a rotating diatomic molecule is used to derive expressions for the Ω-type doubling parameter p in the two | Ω| = 1/2 states. These expressions show (for certain sign conventions) that the sum of the two p values should be -2 B, but that
Rotating columns: Relating structure-from-motion, accretion/deletion, and figure/ground
Froyen, Vicky; Feldman, Jacob; Singh, Manish
2013-01-01
We present a novel phenomenon involving an interaction between accretion deletion, figure-ground interpretation, and structure-from-motion. Our displays contain alternating light and dark vertical regions in which random-dot textures moved horizontally at constant speed but in opposite directions in alternating regions. This motion is consistent with all the light regions in front, with the dark regions completing amodally into a single large surface moving in the background, or vice versa. Surprisingly, the regions that are perceived as figural are also perceived as 3-D volumes rotating in depth (like rotating columns)—despite the fact that dot motion is not consistent with 3-D rotation. In a series of experiments, we found we could manipulate which set of regions is perceived as rotating volumes simply by varying known geometric cues to figure ground, including convexity, parallelism, symmetry, and relative area. Subjects indicated which colored regions they perceived as rotating. For our displays we found convexity to be a stronger cue than either symmetry or parallelism. We furthermore found a smooth monotonic decay of the proportion by which subjects perceive symmetric regions as figural, as a function of their relative area. Our results reveal an intriguing new interaction between accretion-deletion, figure-ground, and 3-D motion that is not captured by existing models. They also provide an effective tool for measuring figure-ground perception. PMID:23946432
Rotating columns: relating structure-from-motion, accretion/deletion, and figure/ground.
Froyen, Vicky; Feldman, Jacob; Singh, Manish
2013-08-14
We present a novel phenomenon involving an interaction between accretion deletion, figure-ground interpretation, and structure-from-motion. Our displays contain alternating light and dark vertical regions in which random-dot textures moved horizontally at constant speed but in opposite directions in alternating regions. This motion is consistent with all the light regions in front, with the dark regions completing amodally into a single large surface moving in the background, or vice versa. Surprisingly, the regions that are perceived as figural are also perceived as 3-D volumes rotating in depth (like rotating columns)-despite the fact that dot motion is not consistent with 3-D rotation. In a series of experiments, we found we could manipulate which set of regions is perceived as rotating volumes simply by varying known geometric cues to figure ground, including convexity, parallelism, symmetry, and relative area. Subjects indicated which colored regions they perceived as rotating. For our displays we found convexity to be a stronger cue than either symmetry or parallelism. We furthermore found a smooth monotonic decay of the proportion by which subjects perceive symmetric regions as figural, as a function of their relative area. Our results reveal an intriguing new interaction between accretion-deletion, figure-ground, and 3-D motion that is not captured by existing models. They also provide an effective tool for measuring figure-ground perception.
Rotationally resolved state-to-state photoelectron study of niobium carbide radical
Luo, Zhihong; Huang, Huang; Zhang, Zheng; Chang, Yih-Chung; Ng, C. Y.
2014-07-14
By employing the two-color visible (VIS)-ultraviolet (UV) laser photoexcitation scheme and the pulsed field ionization-photoelectron (PFI-PE) detection, we have obtained rovibronically selected and resolved photoelectron spectra for niobium carbide cation (NbC{sup +}). The fully rotationally resolved state-to-state VIS-UV-PFI-PE spectra thus obtained allow the unambiguous assignments of rotational photoionization transitions, indicating that the electronic configuration and term symmetry of NbC{sup +}(X{sup ~}) ground state are …10σ{sup 2} 5π{sup 4} 11σ{sup 2} (X{sup ~1}Σ{sup +}). Furthermore, the rotational analysis of these spectra yields the ionization energy of NbC [IE(NbC)] to be 56 369.2 ± 0.8 cm{sup −1} (6.9889 ± 0.0001 eV) and the rotation constant B{sub 0}{sup +} = 0.5681 ± 0.0007 cm{sup −1}. The latter value allows the determination of the bond distance r{sub 0}{sup +} = 1.671 ± 0.001 Å for NbC{sup +}(X{sup ~1}Σ{sup +}). Based on conservation of energy, the IE(NbC) determined in the present study along with the known IE(Nb) gives the difference of 0 K bond dissociation energies (D{sub 0}’s) for NbC{sup +} and NbC, D{sub 0}(NbC{sup +}) − D{sub 0}(NbC) = −1855.4 ± 0.9 cm{sup −1} (−0.2300 ± 0.0001 eV). The energetic values and the B{sub 0}{sup +} constant determined in this work are valuable for benchmarking state-of-the-art ab initio quantum calculations of 4d transition metal-containing molecules.
Reducing collective quantum state rotation errors with reversible dephasing
Cox, Kevin C.; Norcia, Matthew A.; Weiner, Joshua M.; Bohnet, Justin G.; Thompson, James K.
2014-12-29
We demonstrate that reversible dephasing via inhomogeneous broadening can greatly reduce collective quantum state rotation errors, and observe the suppression of rotation errors by more than 21 dB in the context of collective population measurements of the spin states of an ensemble of 2.1×10{sup 5} laser cooled and trapped {sup 87}Rb atoms. The large reduction in rotation noise enables direct resolution of spin state populations 13(1) dB below the fundamental quantum projection noise limit. Further, the spin state measurement projects the system into an entangled state with 9.5(5) dB of directly observed spectroscopic enhancement (squeezing) relative to the standard quantum limit, whereas no enhancement would have been obtained without the suppression of rotation errors.
Proteome Analysis of Ground State Pluripotency
Taleahmad, Sara; Mirzaei, Mehdi; Parker, Lindsay M.; Hassani, Seyedeh-Nafiseh; Mollamohammadi, Sepideh; Sharifi-Zarchi, Ali; Haynes, Paul A.; Baharvand, Hossein; Salekdeh, Ghasem Hosseini
2015-01-01
The differentiation potential of pluripotent embryonic stem cells (ESCs) can be manipulated via serum and medium conditions for direct cellular development or to maintain a naïve ground state. The self-renewal state of ESCs can thus be induced by adding inhibitors of mitogen activated protein kinase (MAPK) and glycogen synthase kinase-3 (Gsk3), known as 2 inhibitors (2i) treatment. We have used a shotgun proteomics approach to investigate differences in protein expressions between 2i- and serum-grown mESCs. The results indicated that 164 proteins were significantly upregulated and 107 proteins downregulated in 2i-grown cells compared to serum. Protein pathways in 2i-grown cells with the highest enrichment were associated with glycolysis and gluconeogenesis. Protein pathways related to organ development were downregulated in 2i-grown cells. In serum-grown ESCs, protein pathways involved in integrin and focal adhesion, and signaling proteins involved in the actin cytoskeleton regulation were enriched. We observed a number of nuclear proteins which were mostly involved in self-renewal maintenance and were expressed at higher levels in 2i compared to serum - Dnmt1, Map2k1, Parp1, Xpo4, Eif3g, Smarca4/Brg1 and Smarcc1/Baf155. Collectively, the results provided an insight into the key protein pathways used by ESCs in the ground state or metastable conditions through 2i or serum culture medium, respectively. PMID:26671762
Ground state fidelity from tensor network representations.
Zhou, Huan-Qiang; Orús, Roman; Vidal, Guifre
2008-02-29
For any D-dimensional quantum lattice system, the fidelity between two ground state many-body wave functions is mapped onto the partition function of a D-dimensional classical statistical vertex lattice model with the same lattice geometry. The fidelity per lattice site, analogous to the free energy per site, is well defined in the thermodynamic limit and can be used to characterize the phase diagram of the model. We explain how to compute the fidelity per site in the context of tensor network algorithms, and demonstrate the approach by analyzing the two-dimensional quantum Ising model with transverse and parallel magnetic fields. PMID:18352611
Best Possible Strategy for Finding Ground States
NASA Astrophysics Data System (ADS)
Franz, Astrid; Hoffmann, Karl Heinz; Salamon, Peter
2001-06-01
Finding the ground state of a system with a complex energy landscape is important for many physical problems including protein folding, spin glasses, chemical clusters, and neural networks. Such problems are usually solved by heuristic search methods whose efficacy is judged by empirical performance on selected examples. We present a proof that, within the large class of algorithms that simulate a random walk on the landscape, threshold accepting is the best possible strategy. In particular, it can perform better than simulated annealing and Tsallis statistics. Our proof is the first example of a provably optimal strategy in this area.
Time-frequency response spectrum of rotational ground motion and its application
NASA Astrophysics Data System (ADS)
Che, Wei; Luo, Qifeng
2010-02-01
The rotational seismic motions are estimated from one station records of the 1999 Jiji (Chi-Chi), Taiwan, earthquake based on the theory of elastic plane wave propagation. The time-frequency response spectrum (TFRS) of the rotational motions is calculated and its characteristics are analyzed, then the TFRS is applied to analyze the damage mechanism of one twelve-storey frame concrete structure. The results show that one of the ground motion components can not reflect the characteristics of the seismic motions completely; the characteristics of each component, especially rotational motions, need to be studied. The damage line of the structure and TFRS of ground motion are important for seismic design, only the TFRS of input seismic wave is suitable, the structure design is reliable.
Adaptation of the S-5-S pendulum seismometer for measurement of rotational ground motion
NASA Astrophysics Data System (ADS)
Knejzlík, Jaromír; Kaláb, Zdeněk; Rambouský, Zdeněk
2012-10-01
The Russian electrodynamic seismometer model S-5-S has been adapted for the measurement of rotational ground motion. The mechanical system of the original S-5-S seismometer consists of electrodynamic sensing and damping transducer coils mounted on an asymmetrical double-arm pendulum. This pendulum is suspended on a footing using two pairs of crossed flat springs, which operate as the axis of rotation. The pendulum is stabilised by an additional spring. The S-5-S can be used either as a vertical or as a horizontal sensor. The adaptation of the S-5-S seismometer described below involves removal of the additional spring and installation of an additional mass on the damping arm. Strain gauge angle sensors are installed on one pair of the crossed flat springs. The main dynamic parameters of the rotational seismometer created in this way, i.e. the natural period and damping, are controlled electronically by feedback currents proportional to the angular displacement and angular velocity, both fed to the damping transducer coil. This new seismometer, named the S-5-SR, enables measurement of the rotational component of ground motion around the horizontal or the vertical axes. The output signal from this S-5-SR seismometer can be proportional either to rotational displacement or rotational velocity.
O'Rourke, Megan E; Liebman, Matt; Rice, Marlin E
2008-02-01
Ground beetles (Coleoptera: Carabidae) are important in agro-ecosystems as generalist predators of invertebrate pests and weed seeds and as prey for larger animals. However, it is not well understood how cropping systems affect ground beetles. Over a 2-yr period, carabids were monitored two times per month using pitfall traps in a conventional chemical input, 2-yr, corn/soybean rotation system and a low input, 4-yr, corn/soybean/triticale-alfalfa/alfalfa rotation system. Carabid assemblages were largely dominated by a few species across all cropping treatments with Poecilus chalcites Say comprising >70% of pitfall catches in both years of study. Overall carabid activity density and species richness were higher in the low input, 4-yr rotation compared with the conventionally managed, 2-yr rotation. There were greater differences in the temporal activity density and species richness of carabids among crops than within corn and soybean treatments managed with different agrichemical inputs and soil disturbance regimes. Detrended correspondence analysis showed strong yearly variation in carabid assemblages in all cropping treatments. The increase in carabid activity density and species richness observed in the 4-yr crop rotation highlights the potential benefits of diverse crop habitats for carabids and the possibility for managing natural enemies by manipulating crop rotations.
Quantum gas of deeply bound ground state molecules.
Danzl, Johann G; Haller, Elmar; Gustavsson, Mattias; Mark, Manfred J; Hart, Russell; Bouloufa, Nadia; Dulieu, Olivier; Ritsch, Helmut; Nägerl, Hanns-Christoph
2008-08-22
Molecular cooling techniques face the hurdle of dissipating translational as well as internal energy in the presence of a rich electronic, vibrational, and rotational energy spectrum. In our experiment, we create a translationally ultracold, dense quantum gas of molecules bound by more than 1000 wave numbers in the electronic ground state. Specifically, we stimulate with 80% efficiency, a two-photon transfer of molecules associated on a Feshbach resonance from a Bose-Einstein condensate of cesium atoms. In the process, the initial loose, long-range electrostatic bond of the Feshbach molecule is coherently transformed into a tight chemical bond. We demonstrate coherence of the transfer in a Ramsey-type experiment and show that the molecular sample is not heated during the transfer. Our results show that the preparation of a quantum gas of molecules in specific rovibrational states is possible and that the creation of a Bose-Einstein condensate of molecules in their rovibronic ground state is within reach. PMID:18719277
Exact ground states of disordered systems
NASA Astrophysics Data System (ADS)
Mienke, Jan Hermann
Finding the ground state of disordered systems is in general a hard problem. Mappings of disordered systems to problems from computer science for which efficient, i.e., polynomial algorithms are known allow the numerical study of large systems. I study the ground state of the random-field Ising model both analytically using mean field approximations and numerically in 3D. I find that the behavior for the infinite-range model is nonuniversal in the sense that the critical exponent beta can vary continuously. On the Cayley tree, however, the behavior is universal. I develop a theory for the roughening of the minimum energy fracture surface in polycrystalline materials as a function of the relevant energy parameter epsilon = epsiloni/epsilon g. epsilong is the internal binding energy of the grain and epsiloni is the adhesion energy. Both local and global effects contribute to the roughening and have to be taken into account. This leads to an epsilon-dependent critical length Lc. For systems with L > L c and epsilon < 1 the interface is always rough.
Ground-state structures of Hafnium clusters
Ng, Wei Chun; Yoon, Tiem Leong; Lim, Thong Leng
2015-04-24
Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.
The Millimeter-Wave Spectrum of Methacrolein. Torsion-Rotation Effects in the Excited States
NASA Astrophysics Data System (ADS)
Zakharenko, Olena; Motiyenko, R. A.; Aviles Moreno, Juan-Ramon; Huet, T. R.
2015-06-01
Last year we reported the analysis of the rotational spectrum of s-trans conformer of methacrolein CH2=C(CH3)CHO in the ground vibrational state. In this talk we report the study of its low lying excited vibrational states. The study is based on room-temperature absorption spectra of methacrolein recorded in the frequency range 150 - 465 GHz using the spectrometer in Lille. The new results include assignment of the first excited torsional state (131 cm-1), and the joint analysis of the vt = 0 and vt = 1 states, that allowed us to improve the model in the frame of Rho-Axis-Method (RAM) Hamiltonian and to remove some strong correlations between parameters. Also we assigned the first excited vibrational state of the skeletal torsion mode (170 cm-1). The inverse sequence of A and E tunneling substates as well as anomalous A-E splittings observed for the rotational lines of vsk = 1 state clearly indicate a coupling between methyl torsion and skeletal torsion. However we were able to fit within experimental accuracy the rotational lines of vsk = 1 state using the RAM Hamiltonian. Because of the inversion of the A and E tunneling substates the rotational lines of the vsk = 1 states were assumed to belong to a virtual first excited torsional state. Finally, we assigned several low-Ka rotational transitions of the excited vibrational states above 200 cm-1 but their analysis is complicated by different rotation-vibration interactions. In particular there is an evidence of the Fermi-type resonance between the second excited torsional state and the first excited state of the in-plane skeletal bending mode (265 cm-1). Support from the French Laboratoire d'Excellence CaPPA (Chemical and Physical Properties of the Atmosphere) through contract ANR-10-LABX-0005 of the Programme d'Investissements d'Avenir is acknowledged. Zakharenko O. et al., 69th ISMS, 2014, TI01
Rotationally Inelastic Scattering of Quantum-State-Selected ND3 with Ar.
Tkáč, Ondřej; Saha, Ashim K; Loreau, Jérôme; Parker, David H; van der Avoird, Ad; Orr-Ewing, Andrew J
2015-06-11
Rotationally inelastic scattering of ND3 with Ar is studied at mean collision energies of 410 and 310 cm(–1). In the experimental component of the study, ND3 molecules are prepared by supersonic expansion and subsequent hexapole state selection in the ground electronic and vibrational levels and in the jk(±) = 1(1) rotational level. A beam of state-selected ND3 molecules is crossed with a beam of Ar, and scattered ND3 molecules are detected in single final j′k′(±) quantum states using resonance enhanced multiphoton ionization spectroscopy. State-to-state differential cross sections for rotational-level changing collisions are obtained by velocity map imaging. The experimental measurements are compared with close-coupling quantum-mechanical scattering calculations performed using an ab initio potential energy surface. The computed DCSs agree well with the experimental measurements, confirming the high quality of the potential energy surface. The angular distributions are dominated by forward scattering for all measured final rotational and vibrational inversion symmetry states. This outcome is in contrast to our recent results for inelastic scattering of ND3 with He, where we observed significant amount of sideways and backward scattering for some final rotational levels of ND3. The differences between He and Ar collision partners are explained by differences in the potential energy surfaces that govern the scattering dynamics.
One-dimensional extended Hubbard model with spin-triplet pairing ground states
NASA Astrophysics Data System (ADS)
Tanaka, Akinori
2016-10-01
We show that the one-dimensional extended Hubbard model has saturated ferromagnetic ground states with the spin-triplet electron pair condensation in a certain range of parameters. The ground state wave functions with fixed electron numbers are explicitly obtained. We also construct two ground states in which both the spin-rotation and the gauge symmetries are broken, and show that these states are transferred from one to the other by applying the edge operators. The edge operators are reduced to the Majorana fermions in a special case. These symmetry breaking ground states are shown to be stabilized by a superconducting mean field Hamiltonian which is related to the Kitaev chain with the charge-charge interaction.
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.
Thermodynamic ground states of platinum metal nitrides
Aberg, D; Sadigh, B; Crowhurst, J; Goncharov, A
2007-10-09
We have systematically studied the thermodynamic stabilities of various phases of the nitrides of the platinum metal elements using density functional theory. We show that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability can extend up to 17 GPa for PtN{sub 2}. Furthermore, we show that according to calculations using the local density approximation, these new compounds are also thermodynamically stable at ambient pressure and thus may be the ground state phases for these materials. We further discuss the fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures.
Magnetic Field Measurement with Ground State Alignment
NASA Astrophysics Data System (ADS)
Yan, Huirong; Lazarian, A.
Observational studies of magnetic fields are crucial. We introduce a process "ground state alignment" as a new way to determine the magnetic field direction in diffuse medium. The alignment is due to anisotropic radiation impinging on the atom/ion. The consequence of the process is the polarization of spectral lines resulting from scattering and absorption from aligned atomic/ionic species with fine or hyperfine structure. The magnetic field induces precession and realign the atom/ion and therefore the polarization of the emitted or absorbed radiation reflects the direction of the magnetic field. The atoms get aligned at their low levels and, as the life-time of the atoms/ions we deal with is long, the alignment induced by anisotropic radiation is susceptible to extremely weak magnetic fields (1 G ≳ B ≳ 10^{-15} G). In fact, the effects of atomic/ionic alignment were studied in the laboratory decades ago, mostly in relation to the maser research. Recently, the atomic effect has been already detected in observations from circumstellar medium and this is a harbinger of future extensive magnetic field studies. A unique feature of the atomic realignment is that they can reveal the 3D orientation of magnetic field. In this chapter, we shall review the basic physical processes involved in atomic realignment. We shall also discuss its applications to interplanetary, circumstellar and interstellar magnetic fields. In addition, our research reveals that the polarization of the radiation arising from the transitions between fine and hyperfine states of the ground level can provide a unique diagnostics of magnetic fields in the Epoch of Reionization.
On the Stable Ground State of Mackinawite
NASA Astrophysics Data System (ADS)
Kwon, K.; Refson, K.; Sposito, G.
2009-12-01
Mackinawite is a layer type iron monosulfide (FeS) with stacked sheets of edge-sharing FeS4 tetrahedra. An important player in iron and sulfur cycles, mackinawite is one of the first-formed metastable iron sulfides in anoxic environments, transforming into greigite (Fe3S4) and pyrite (FeS2) minerals or elemental sulfur (S0) and iron (Fe0) depending on redox conditions. Mackinawite also affects the mobility and oxidation states of toxic metals such as As, Hg, and Se. The mineral, typically found as a nanoparticle, has been characterized experimentally. Its fundamental conducting and magnetic properties, however, are still controversial; e.g., whether mackinawite is metallic and whether it has magnetic order. Mackinawite is believed to be metallic and without magnetic ordering down at 4 K based on Mössbauer spectroscopy studies. We examined these two issues by applying plane-wave density functional theory (DFT) to FeS geometry optimization under different magnetic orderings. We found that antiferromagnetic ordering among the Fe atoms is the stable ground state of mackinawite. In this presentation, we shall discuss this result and how it relates to previous experimental work.
Strangeness in the baryon ground states
NASA Astrophysics Data System (ADS)
Semke, A.; Lutz, M. F. M.
2012-10-01
We compute the strangeness content of the baryon octet and decuplet states based on an analysis of recent lattice simulations of the BMW, PACS, LHPC and HSC groups for the pion-mass dependence of the baryon masses. Our results rely on the relativistic chiral Lagrangian and large-Nc sum rule estimates of the counter terms relevant for the baryon masses at N3LO. A partial summation is implied by the use of physical baryon and meson masses in the one-loop contributions to the baryon self energies. A simultaneous description of the lattice results of the BMW, LHPC, PACS and HSC groups is achieved. From a global fit we determine the axial coupling constants F ≃ 0.45 and D ≃ 0.80 in agreement with their values extracted from semi-leptonic decays of the baryons. Moreover, various flavor symmetric limits of baron octet and decuplet masses as obtained by the QCDSF-UKQCD group are recovered. We predict the pion- and strangeness sigma terms and the pion-mass dependence of the octet and decuplet ground states at different strange quark masses.
Incompressible Liquid State of Rapidly Rotating Bosons at Filling Factor 3/2
Rezayi, E.H.; Read, N.; Cooper, N.R.
2005-10-14
Bosons in the lowest Landau level, such as rapidly rotating cold trapped atoms, are investigated numerically in the specially interesting case in which the filling factor (ratio of particle number to vortex number) is 3/2. When a moderate amount of a longer-range (e.g., dipolar) interaction is included, we find clear evidence that the ground state is in a phase constructed earlier by two of us, in which excitations possess non-Abelian statistics.
Chimera states on the route from coherence to rotating waves.
Jaros, Patrycja; Maistrenko, Yuri; Kapitaniak, Tomasz
2015-02-01
We report different types of chimera states in the Kuramoto model with inertia. They arise on the route from coherence, via so-called solitary states, to the rotating waves. We identify the wide region in parameter space, in which a different type of chimera state, i.e., the imperfect chimera state, which is characterized by a certain number of oscillators that have escaped from the synchronized chimera's cluster, appears. We describe a mechanism for the creation of chimera states via the appearance of the solitary states. Our findings reveal that imperfect chimera states represent characteristic spatiotemporal patterns at the transition from coherence to incoherence.
NASA Astrophysics Data System (ADS)
Liu, Weijun; Xu, Jiyao; Smith, A. K.; Yuan, Wei
2015-11-01
Ground-based observations of the OH(9-4, 8-3, 6-2, 5-1, and 3-0) band airglows over Xinglong, China (40°24'N, 117°35'E) from December 2011 to 2014 are used to calculate rotational temperatures. The temperatures are calculated using five commonly used Einstein coefficient data sets. The kinetic temperature from Thermosphere, Ionosphere, Mesosphere, Energetics and Dynamics/Sounding the Atmosphere by Broadband Emission of Radiation (SABER) is completely independent of the OH rotational temperature. SABER temperatures are weighted vertically by weighting functions calculated for each emitting vibrational state from two SABER OH volume emission rate profiles. By comparing the ground-based OH rotational temperature with SABER's, five Einstein coefficient data sets are evaluated. The results show that temporal variations of the rotational temperatures are well correlated with SABER's; the linear correlation coefficients are higher than 0.72, but the slopes of the fit between the SABER and rotational temperatures are not equal to 1. The rotational temperatures calculated using each set of Einstein coefficients produce a different bias with respect to SABER; these are evaluated over each of the vibrational levels to assess the best match. It is concluded that rotational temperatures determined using any of the available Einstein coefficient data sets have systematic errors. However, of the five sets of coefficients, the rotational temperature derived with Langhoff et al.'s (1986) set is most consistent with SABER. In order to get a set of optimal Einstein coefficients for rotational temperature derivation, we derive their ratios from ground-based OH spectra and SABER temperatures statistically using 3 years of data. The use of a standard set of Einstein coefficients will be beneficial for comparing rotational temperatures observed at different sites.
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
Magnetic ground state of FeSe.
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
The ground state construction of bilayer graphene
NASA Astrophysics Data System (ADS)
Giuliani, Alessandro; Jauslin, Ian
2016-09-01
We consider a model of half-filled bilayer graphene, in which the three dominant Slonczewski-Weiss-McClure hopping parameters are retained, in the presence of short-range interactions. Under a smallness assumption on the interaction strength U as well as on the inter-layer hopping ɛ, we construct the ground state in the thermodynamic limit, and prove that the pressure and two-point Schwinger function, away from its singularities, are analytic in U, uniformly in ɛ. The interacting Fermi surface is degenerate, and consists of eight Fermi points, two of which are protected by symmetries, while the locations of the other six are renormalized by the interaction, and the effective dispersion relation at the Fermi points is conical. The construction reveals the presence of different energy regimes, where the effective behavior of correlation functions changes qualitatively. The analysis of the crossover between regimes plays an important role in the proof of analyticity and in the uniform control of the radius of convergence. The proof is based on a rigorous implementation of fermionic renormalization group methods, including determinant estimates for the renormalized expansion.
Rotational State Microwave Mixing for Laser Cooling of Complex Diatomic Molecules
NASA Astrophysics Data System (ADS)
Yeo, Mark; Hummon, Matthew T.; Collopy, Alejandra L.; Yan, Bo; Hemmerling, Boerge; Chae, Eunmi; Doyle, John M.; Ye, Jun
2015-06-01
We demonstrate the mixing of rotational states in the ground electronic state using microwave radiation to enhance optical cycling in the molecule yttrium (II) monoxide (YO). This mixing technique is used in conjunction with a frequency modulated and chirped continuous wave laser to slow longitudinally a cryogenic buffer-gas beam of YO. We generate a flux of YO below 10 m /s , directly loadable into a three-dimensional magneto-optical trap. This technique opens the door for laser cooling of diatomic molecules with more complex loss channels due to intermediate states.
Improving active seismic isolation in aLIGO using a ground rotation sensor
NASA Astrophysics Data System (ADS)
Venkateswara, Krishna; Hagedorn, Charles; Ross, Michael; Gundlach, Jens
2016-03-01
The active seismic isolation in Advanced LIGO achieves a factor of 10 -104 isolation from ground displacement in the frequency range from 0.1-10 Hz enabling stable low noise interferometer operation. It uses seismometers on the ground and the optics platform in feedback loops to reduce the transmission of ground motion to the platform. However, due to the inability of a seismometer to distinguish between horizontal acceleration and rotation (coupling through gravity), wind-induced tilt limits the performance of the active isolation in the 10-500 mHz frequency range, thereby reducing the duty-cycle of the detectors. We describe a ground rotation sensor, consisting of a low frequency beam-balance and an autocollimator readout with better than 0.4 nrad/rt(Hz) sensitivity above 10 mHz, which can be used to subtract tilt-noise from a horizontal seismometer, thus improving the active seismic isolation system. This work was supported by NSF Grant: 1306613.
Tunable ground states in helical p-wave Josephson junctions
NASA Astrophysics Data System (ADS)
Cheng, Qiang; Zhang, Kunhua; Yu, Dongyang; Chen, Chongju; Zhang, Yinhan; Jin, Biao
2016-07-01
We study new types of Josephson junctions composed of helical p-wave superconductors with {k}x\\hat{x}+/- {k}y\\hat{y} and {k}y\\hat{x}+/- {k}x\\hat{y}-pairing symmetries using quasi-classical Green’s functions with generalized Riccati parametrization. The junctions can host rich ground states: π phase, 0 + π phase, φ 0 phase and φ phase. The phase transition can be tuned by rotating the magnetization in the ferromagnetic interface. We present the phase diagrams in the parameter space formed by the orientation of the magnetization or by the magnitude of the interfacial potentials. The selection rules for the lowest order current which are responsible for the formation of the rich phases are summarized from the current-phase relations based on the numerical calculation. We construct a Ginzburg–Landau type of free energy for the junctions with d-vectors and the magnetization, which not only reveals the interaction forms of spin-triplet superconductivity and ferromagnetism, but can also directly lead to the selection rules. In addition, the energies of the Andreev bound states and the novel symmetries in the current-phase relations are also investigated. Our results are helpful both in the prediction of novel Josephson phases and in the design of quantum circuits.
Tunable ground states in helical p-wave Josephson junctions
NASA Astrophysics Data System (ADS)
Cheng, Qiang; Zhang, Kunhua; Yu, Dongyang; Chen, Chongju; Zhang, Yinhan; Jin, Biao
2016-07-01
We study new types of Josephson junctions composed of helical p-wave superconductors with {k}x\\hat{x}+/- {k}y\\hat{y} and {k}y\\hat{x}+/- {k}x\\hat{y}-pairing symmetries using quasi-classical Green’s functions with generalized Riccati parametrization. The junctions can host rich ground states: π phase, 0 + π phase, φ 0 phase and φ phase. The phase transition can be tuned by rotating the magnetization in the ferromagnetic interface. We present the phase diagrams in the parameter space formed by the orientation of the magnetization or by the magnitude of the interfacial potentials. The selection rules for the lowest order current which are responsible for the formation of the rich phases are summarized from the current-phase relations based on the numerical calculation. We construct a Ginzburg-Landau type of free energy for the junctions with d-vectors and the magnetization, which not only reveals the interaction forms of spin-triplet superconductivity and ferromagnetism, but can also directly lead to the selection rules. In addition, the energies of the Andreev bound states and the novel symmetries in the current-phase relations are also investigated. Our results are helpful both in the prediction of novel Josephson phases and in the design of quantum circuits.
On the ground state of Yang-Mills theory
Bakry, Ahmed S.; Leinweber, Derek B.; Williams, Anthony G.
2011-08-15
Highlights: > The ground state overlap for sets of meson potential trial states is measured. > Non-uniform gluonic distributions are probed via Wilson loop operator. > The locally UV-regulated flux-tube operators can optimize the ground state overlap. - Abstract: 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.
Rotational and rotationless states of weakly bound molecules
Lemeshko, Mikhail; Friedrich, Bretislav
2009-05-15
By making use of the quantization rule of Raab and Friedrich [Phys. Rev. A 78, 022707 (2008)], we derive simple and accurate formulae for the number of rotational states supported by a weakly bound vibrational level of a diatomic molecule and the rotational constants of any such levels up to the threshold, and provide a criterion for determining whether a given weakly bound vibrational level is rotationless. The results depend solely on the long-range part of the molecular potential and are applicable to halo molecules.
Triaxiality of the ground states in the 174W
NASA Astrophysics Data System (ADS)
Ya, Tu; Chen, Y. S.; Liu, L.; Gao, Z. C.
2016-05-01
We have performed calculations for the ground states in 174W by using the projected total energy surface (PTES) calculations. Both the ground state (g.s.) band and its γ band reproduce the experimental data. Further discussion about the triaxiality in 174W has been made by transition quardrupole moment (Qt) and comparing between the PTES and TRS methods.
Interface Representations of Critical Ground States
NASA Astrophysics Data System (ADS)
Kondev, Jane
1995-01-01
We study the critical properties of the F model, the three-coloring model on the honeycomb lattice, and the four-coloring model on the square lattice, by mapping these models to models of rough interfaces. In particular, we construct operators in a systematic way, which is provided by the interface representation, and we show that their scaling dimensions can be related to the stiffness of the interface. Two types of operators are found, and they correspond to electric and magnetic charges in the Coulomb gas which is related to the interface model by the usual duality transformation. Furthermore, we find that the stiffness of the interface models, and therefore all the critical exponents, can be calculated exactly by considering the contour correlation function which measures the probability that two points on the interface belong to the same contour loop. The exact information about the stiffness also allows us to analyze in detail the conformal field theories (CFT) that represent the scaling limits of the interface models. We find that CFT's associated with the F model, the three -coloring model, and the four-coloring model, have chiral symmetry algebras given by the su(2)_{k=1 }, su(3)_{k=1}, and su(4) _{k=1} Kac-Moody algebras, respectively. The three-coloring and the four coloring-model are ground states of certain antiferromagnetic Potts models, and the behavior of these Potts models at small but finite temperatures is determined by topological defects that can be defined in the associated interface models. In this way we calculate the correlation length and the specific heat of the Potts models, and they are in good agreement with numerical simulations. We also present our Monte-Carlo results for the scaling dimensions of operators in the four-coloring model, and they are in excellent agreement with our analytical results. Finally, we define geometrical exponents for contour loops on self -affine interfaces and calculate their values as a function of the
Probable Rotation States of Rocket Bodies in Low Earth Orbit
NASA Astrophysics Data System (ADS)
Ojakangas, G.; Anz-Meador, P.; Cowardin, H.
2012-09-01
In order for Active Debris Removal to be accomplished, it is critically important to understand the probable rotation states of orbiting, spent rocket bodies (RBs). However, rotational dynamics is non-intuitive and misconceptions are common. Determinations of rotation and precession rates from light curves have been published that are inconsistent with the theory presented here. In a state of free precession, the total angular momentum of the object is constant, while kinetic energy decreases due to internal friction, approaching rotation about the axis of maximum inertia. For solid internal friction the timescale is hundreds to thousands of years for quality factors of ~100 and assuming metallic rigidities, but for friction in partially-filled liquid fuel tanks we predict that the preferred rotational state is approached rapidly, within days to months. However, history has shown that theoretical predictions of the timescale have been notoriously inaccurate. In free precession, the 3-1-3 Euler angle rates dphi/dt (precession rate of long axis about fixed angular momentum with cone angle theta) and dpsi/dt (roll rate around long axis) have comparable magnitudes until very close to theta=pi/2, so that otherwise the true rotation period is not simply twice the primary light curve period. Furthermore dtheta/dt, nonzero due to friction, becomes asymptotically smaller as theta=pi/2 is approached, so that theta can linger within several degrees of flat spin for a relatively long time. Such a condition is likely common, and cannot be distinguished from the wobble of a cylinder with a skewed inertia tensor unless the RB has non-axisymmetric reflectivity characteristics. For an RB of known dimensions, a given value of theta fixes the relative values of dpsi/dt and dphi/dt. In forced precession, the angular momentum precesses about a symmetry axis defined by the relevant torque. However, in LEO, only gravity gradient and magnetic eddy current torques are dominant, and these
NASA Technical Reports Server (NTRS)
Scharf, Daniel P.; Keim, Jason A.; Hadaegh, Fred Y.
2008-01-01
This paper reports the ground demonstration of precision synchronized formation rotations with better than 6 arcmin/5 cm performance in the Formation Control Testbed (FCT). The FCT currently consists of two, five degree-of-freedom, air bearing-levitated robots. The sixth degree-of-freedom, vertical translation, is being added in November 2007. Each robot has a suite of flight-like avionics and actuators, including a star tracker, fiber-optic gyroscopes, reaction wheels, cold-gas thrusters, inter-robot communication, and on-board computers that run the Formation and Attitude Control System software.
Enhanced optical cycling and slowing of YO through rotational state microwave mixing
NASA Astrophysics Data System (ADS)
Yan, Bo; Hummon, Matthew; Yeo, Mark; Collopy, Alejandra; Hemmerling, Boerge; Chae, Eunmi; Anderegg, Loic; Ravi, Aakash; Doyle, John; Ye, Jun
2015-05-01
In order to address rotational dark states in the molecule yttrium (II) monoxide (YO) and to enhance optical cycling, we demonstrate the remixing of ground electronic state rotational levels using microwave radiation. This mixing technique, in conjunction with a broadband modulated and frequency chirped laser, is used to decelerate a beam of YO from a cryogenic buffer gas cell. The result is a population of molecules with velocities less than 10 m/s, which are sufficiently slow to be loaded into a magneto-optical trap. With two vibrational repump lasers, the cycling transition is closed to the 10-6 level. Additionally, we present progress towards a three dimensional implementation of a magneto-optical trap for YO. This work was supported in part by the Gordon and Betty Moore Foundation through Grant GBMF3852. We also acknowledge support from ARO, AFOSR (MURI), NIST, and NSF.
Using Jet Observations to Constrain Enceladus' Rotation State
NASA Technical Reports Server (NTRS)
Hurford, Terry A.; Porco, C. C.
2011-01-01
Observations of Enceladus have revealed active jets of material erupting from cracks on its surface. It has been proposed that diurnal tidal stress may open these cracks daily when they experience tensile stresses across them, allowing eruptions to occur. An analysis of the tidal stress on jet source regions, as identified by the triangulation of jet observations, finds that there is a correlation between observations and tensile stress on the cracks. However, not all regions are predicted to be in tension when jets were observed to be active. Enceladus' rotation state, such as a physical libration or obliquity, will affect the diurnal stresses on these cracks, changing when in its orbit they experience tension and compression. We will use observations of jet activity from 2005-2007 to place constraints on rotation states of Enceladus.
Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
NASA Astrophysics Data System (ADS)
Torquato, Salvatore
Disordered hyperuniform many-particle systems have been receiving recent attention because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. It has been shown numerically that systems of particles interacting with ``stealthy'' bounded, long-ranged pair potentials (similar to Friedel oscillations) have classical ground states that are, counterintuitively, disordered, hyperuniform and highly degenerate. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d-dimensional Euclidean space is highly nontrivial because the dimensionality of the configuration space depends on the number density and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. A new type of statistical-mechanical theory had to be invented to characterize these exotic states of matter. I report on some initial progress that we have made in this direction. We show that stealthy disordered ground states behave like ''pseudo''-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for the structure and thermodynamic properties of the stealthy disordered ground states and associated excited states are in excellent agreement with computer simulations across dimensions.
Handbook for state ground water managers
Not Available
1992-05-01
;Table of Contents: Nonpoint Source Implementation; State Public Water System Supervision; State Underground Water Source Protection (Underground Injection Control); Water Pollution Control -- State and Interstate Program Support (106 Grants); Water Quality Management Planning; Agriculture in Concert with the Environment; Consolidated Pesticide Compliance Monitoring and Program Cooperative Agreements; Pollution Prevention Incentives for States; Hazardous Substance Response Trust Fund; Hazardous Waste Financial Assistance; Underground Storage Tank Program; Leaking Underground Storage Tank Trust Fund; State/EPA Data Management Financial Assistance Program; Environmental Education; and Multi-Media Assistance Agreements for Indian Tribes.
Ground states of stealthy hyperuniform potentials: I. Entropically favored configurations
NASA Astrophysics Data System (ADS)
Zhang, G.; Stillinger, F. H.; Torquato, S.
2015-08-01
Systems of particles interacting with "stealthy" pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely degenerate ground states used energy minimization techniques, introducing algorithmic dependence that is artificial in nature. Recently, an ensemble theory of stealthy hyperuniform ground states was formulated to predict the structure and thermodynamics that was shown to be in excellent agreement with corresponding computer simulation results in the canonical ensemble (in the zero-temperature limit). In this paper, we provide details and justifications of the simulation procedure, which involves performing molecular dynamics simulations at sufficiently low temperatures and minimizing the energy of the snapshots for both the high-density disordered regime, where the theory applies, as well as lower densities. We also use numerical simulations to extend our study to the lower-density regime. We report results for the pair correlation functions, structure factors, and Voronoi cell statistics. In the high-density regime, we verify the theoretical ansatz that stealthy disordered ground states behave like "pseudo" disordered equilibrium hard-sphere systems in Fourier space. The pair statistics obey certain exact integral conditions with very high accuracy. These results show that as the density decreases from the high-density limit, the disordered ground states in the canonical ensemble are characterized by an increasing degree of short-range order and eventually the system undergoes a phase transition to crystalline ground states. In the crystalline regime (low densities), there exist aperiodic structures that are part of the ground-state manifold but yet are not entropically favored. We also provide numerical evidence suggesting that different forms of stealthy pair potentials produce the same ground-state ensemble in the zero
Ground state and constrained domain walls in Gd /Fe multilayers
NASA Astrophysics Data System (ADS)
Van Aken, Bas B.; Prieto, José L.; Mathur, Neil D.
2005-03-01
The magnetic ground state of antiferromagnetically coupled Gd /Fe multilayers and the evolution of in-plane domain walls is modeled with micromagnetics. The twisted state is characterized by a rapid decrease of the interface angle with increasing magnetic field. We found that for certain ratios MFe:MGd, the twisted state is already present at low fields. However, the magnetic ground state is not only determined by the ratio MFe:MGd but also by the thicknesses of the layers; that is by the total moments of the layer. The dependence of the magnetic ground state is explained by the amount of overlap of the domain walls at the interface. Thicker layers suppress the Fe-aligned and the Gd-aligned state in favor of the twisted state. On the other hand, ultrathin layers exclude the twisted state, since wider domain walls cannot form in these ultrathin layers.
Rotating states of self-propelling particles in two dimensions
NASA Astrophysics Data System (ADS)
Chen, Hsuan-Yi; Leung, Kwan-Tai
2006-05-01
We present particle-based simulations and a continuum theory for steady rotating flocks formed by self-propelling particles (SPPs) in two-dimensional space. Our models include realistic but simple rules for the self-propelling, drag, and interparticle interactions. Among other coherent structures, in particle-based simulations we find steady rotating flocks when the velocity of the particles lacks long-range alignment. Physical characteristics of the rotating flock are measured and discussed. We construct a phenomenological continuum model and seek steady-state solutions for a rotating flock. We show that the velocity and density profiles become simple in two limits. In the limit of weak alignment, we find that all particles move with the same speed and the density of particles vanishes near the center of the flock due to the divergence of centripetal force. In the limit of strong body force, the density of particles within the flock is uniform and the velocity of the particles close to the center of the flock becomes small.
Rotating states of self-propelling particles in two dimensions.
Chen, Hsuan-Yi; Leung, Kwan-Tai
2006-05-01
We present particle-based simulations and a continuum theory for steady rotating flocks formed by self-propelling particles (SPPs) in two-dimensional space. Our models include realistic but simple rules for the self-propelling, drag, and interparticle interactions. Among other coherent structures, in particle-based simulations we find steady rotating flocks when the velocity of the particles lacks long-range alignment. Physical characteristics of the rotating flock are measured and discussed. We construct a phenomenological continuum model and seek steady-state solutions for a rotating flock. We show that the velocity and density profiles become simple in two limits. In the limit of weak alignment, we find that all particles move with the same speed and the density of particles vanishes near the center of the flock due to the divergence of centripetal force. In the limit of strong body force, the density of particles within the flock is uniform and the velocity of the particles close to the center of the flock becomes small. PMID:16802998
Phase diagram of the ground states of DNA condensates
NASA Astrophysics Data System (ADS)
Hoang, Trinh X.; Trinh, Hoa Lan; Giacometti, Achille; Podgornik, Rudolf; Banavar, Jayanth R.; Maritan, Amos
2015-12-01
The phase diagram of the ground states of DNA in a bad solvent is studied for a semiflexible polymer model with a generalized local elastic bending potential characterized by a nonlinearity parameter x and effective self-attraction promoting compaction. x =1 corresponds to the wormlike chain model. Surprisingly, the phase diagram as well as the transition lines between the ground states are found to be a function of x . The model provides a simple explanation for the results of prior experimental and computational studies and makes predictions for the specific geometries of the ground states. The results underscore the impact of the form of the microscopic bending energy at macroscopic observable scales.
The Determination of Mercury's Rotational state with BepiColombo
NASA Astrophysics Data System (ADS)
Palli, Alessandra; Junior Mariani, Mirco; Silvestri, Davide; Tortora, Paolo; Zannoni, Marco
2015-04-01
The BepiColombo mission will start its one year nominal in-orbit operation phase at Mercury in January 2024. More than forty years after Mariner 10 discovered the presence of an intrinsic magnetic field, the study of Mercury's core still remains a fascinating objective and in-orbit investigations are a privileged condition for doing this. Since the strict connection existing between core and rotational state, measurements of Mercury's obliquity and librations at unprecedented accuracies became one the main purposes of MORE (Mercury Orbiter Radio science Experiment) rotation experiment. The rotation experiment avails of the employment of precise orbit determination data and high resolution images provided by HRIC, part of the SYMBIO-SYS payload. The correlation of surface landmarks extrapolated by two images of the same area taken at different epochs provides their displacement in time and hence constitutes an observable to be fed into an estimation process for deriving Mercury's rotation parameters. An end-to-end simulator has been built up employing the camera images as the primary observables with the final aim of defining their optimal acquisition scheduling. An extensive simulation campaign has been performed leading to the identification of the most favorable observational strategy and location of the landmarks on the surface so as to fulfill accuracies lower than 1 arcsecond for both obliquity and libration estimation. Finally, the full rotation experiment has been implemented in a global multiarc solution where both optical and radiometric simulated observables are processed by the filter in order to evaluate the science capabilities in terms of Mercury Orientation Parameters. The results also account for the effects of the onboard accelerometer (ISA) error model. The talk will focus on the description of the end-to-end simulator, illustrating the results obtained in terms of the optimal selection of the observations. Next, full simulations results, obtained
Chi, W.-C.; Lee, W.H.K.; Aston, J.A.D.; Lin, C.J.; Liu, C.-C.
2011-01-01
We develop a new way to invert 2D translational waveforms using Jaeger's (1969) formula to derive rotational ground motions about one axis and estimate the errors in them using techniques from statistical multivariate analysis. This procedure can be used to derive rotational ground motions and strains using arrayed translational data, thus providing an efficient way to calibrate the performance of rotational sensors. This approach does not require a priori information about the noise level of the translational data and elastic properties of the media. This new procedure also provides estimates of the standard deviations of the derived rotations and strains. In this study, we validated this code using synthetic translational waveforms from a seismic array. The results after the inversion of the synthetics for rotations were almost identical with the results derived using a well-tested inversion procedure by Spudich and Fletcher (2009). This new 2D procedure can be applied three times to obtain the full, three-component rotations. Additional modifications can be implemented to the code in the future to study different features of the rotational ground motions and strains induced by the passage of seismic waves.
Kalkan, Erol; Kwong, Neal S.
2012-01-01
According to regulatory building codes in United States (for example, 2010 California Building Code), at least two horizontal ground-motion components are required for three-dimensional (3D) response history analysis (RHA) of buildings. For sites within 5 km of an active fault, these records should be rotated to fault-normal/fault-parallel (FN/FP) directions, and two RHA analyses should be performed separately (when FN and then FP are aligned with the transverse direction of the structural axes). It is assumed that this approach will lead to two sets of responses that envelope the range of possible responses over all nonredundant rotation angles. This assumption is examined here using a 3D computer model of a six-story reinforced-concrete instrumented building subjected to an ensemble of bidirectional near-fault ground motions. Peak responses of engineering demand parameters (EDPs) were obtained for rotation angles ranging from 0° through 180° for evaluating the FN/FP directions. It is demonstrated that rotating ground motions to FN/FP directions (1) does not always lead to the maximum responses over all angles, (2) does not always envelope the range of possible responses, and (3) does not provide maximum responses for all EDPs simultaneously even if it provides a maximum response for a specific EDP.
Approximating the ground state of gapped quantum spin systems
Michalakis, Spyridon; Hamza, Eman; Nachtergaele, Bruno; Sims, Robert
2009-01-01
We consider quantum spin systems defined on finite sets V equipped with a metric. In typical examples, V is a large, but finite subset of Z{sup d}. For finite range Hamiltonians with uniformly bounded interaction terms and a unique, gapped ground state, we demonstrate a locality property of the corresponding ground state projector. In such systems, this ground state projector can be approximated by the product of observables with quantifiable supports. In fact, given any subset {chi} {contained_in} V the ground state projector can be approximated by the product of two projections, one supported on {chi} and one supported on {chi}{sup c}, and a bounded observable supported on a boundary region in such a way that as the boundary region increases, the approximation becomes better. Such an approximation was useful in proving an area law in one dimension, and this result corresponds to a multi-dimensional analogue.
The factorization method and ground state energy bounds
NASA Astrophysics Data System (ADS)
Schmutz, M.
1985-04-01
We discuss the relationship between the factorization method and the Barnsley bound to the ground state energy. The latter method is extended in such a way that both lower and upper analytic bounds can be obtained.
Theory of ground state factorization in quantum cooperative systems.
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.
Ground-state properties of the periodic Anderson model
NASA Technical Reports Server (NTRS)
Blankenbecler, R.; Fulco, J. R.; Gill, W.; Scalapino, D. J.
1987-01-01
The ground-state energy, hybridization matrix element, local moment, and spin-density correlations of a one-dimensional, finite-chain, periodic, symmetric Anderson model are obtained by numerical simulations and compared with perturbation theory and strong-coupling results. It is found that the local f-electron spins are compensated by correlation with other f-electrons as well as band electrons leading to a nonmagnetic ground state.
Theory of ground state factorization in quantum cooperative systems.
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. PMID:18518481
The Rotation State of Comet 103P/Hartley 2
NASA Astrophysics Data System (ADS)
Farnham, Tony; Knight, Matthew M.; Schleicher, David G.
2016-10-01
On November 4, 2010, the Deep Impact (DI) spacecraft made its closest approach to comet 103P/Hartley 2, passing only 694 km from the nucleus. Observations of the coma produced a lightcurve that shows the nucleus is in a state of non-principal axis rotation that evolves with time, while other observations revealed a nucleus that has concentrated collimated jets driven by CO2 emission (A'Hearn et al., 2011), large variability in the production of H2O and CO2 (Besse et al. 2016), and ice patches on the surface (Sunshine et al. 2011). To properly interpret the significance of these phenomena, it is necessary to understand the rotation of the nucleus, so that its thermal history can be derived and properly modeled, while at the same time, it is likely that the comet's high activity levels play an important role in the nucleus dynamics.An analysis of the lightcurve by Belton et al (2013) described the comet's rotation state, with two periodicities (primary of 18 h, secondary of 28 or 55 h) that change with time. Although their solution describes the periodicities observed around closest approach, it is insufficient to reproduce the changes in coma morphology with time. We are performing an analysis of the structures in the coma (Farnham 2009), using Monte Carlo routines to model the outflowing dust produced by active sources on the nucleus, to derive a comprehensive solution for the nucleus' rotation.We are also obtaining new observations of Hartley 2 in June/July 2016 (r~3.2 AU) to measure the nucleus' primary component period before the comet becomes highly active. This will provide an end-state measure of the rotation from the 2010 apparition, as well as a starting value for the current apparition, to allow its continuing evolution to be monitored. We will present an update on the status and preliminary results of these analyses.This work is funded by NASA Grant NNX12AQ64G.A'Hearn, M.F., et al. (2011) Science 332, 1396-1400Belton M.J.S., et al. (2013) Icarus 222, 595
Toward Rotational State-Selective Photoionization of ThF+ Ions
NASA Astrophysics Data System (ADS)
Zhou, Yan; Ng, Kia Boon; Gresh, Dan; Cairncross, William; Grau, Matt; Ni, Yiqi; Cornell, Eric; Ye, Jun
2016-06-01
ThF+ has been chosen to replace HfF+ for a second-generation measurement of the electric dipole moment of the electron (eEDM). Compared to the currently running HfF+ eEDM experiment, ThF+ has several advantages: (i) the eEDM-sensitive state (3Δ1) is the ground state, which facilitates a long coherence time [1]; (ii) its effective electric field (35 GV/cm) is 50% larger than that of HfF+, which promises a direct increase of the eEDM sensitivity [2]; and (iii) the ionization energy of neutral ThF is lower than its dissociation energy, which introduces greater flexibility in rotational state-selective photoionization via core-nonpenetrating Rydberg states [3]. In this talk, we first present our strategy of preparing and utilizing core-nonpenetrating Rydberg states for rotational state-selective ionization. Then, we report spectroscopic data of laser-induced fluorescence of neutral ThF, which provides critical information for multi-photon ionization spectroscopy. [1] D. N. Gresh, K. C. Cossel, Y. Zhou, J. Ye, E. A. Cornell, Journal of Molecular Spectroscopy, 319 (2016), 1-9 [2] M. Denis, M. S. Nørby, H. J. A. Jensen, A. S. P. Gomes, M. K. Nayak, S. Knecht, T. Fleig, New Journal of Physics, 17 (2015) 043005. [3] Z. J. Jakubek, R. W. Field, Journal of Molecular Spectroscopy 205 (2001) 197-220.
Formation of ground and excited states of antihydrogen
Nahar, S.N.; Wadehra, J.M.
1988-06-01
Differential and integrated cross sections for the formation of antihydrogen by the impact of intermediate-energy (20--500 keV) antiprotons on positronium are calculated using the first Born approximation. The calculations are carried out for the formation of antihydrogen in ground and various excited electronic states (n = 1--3) when positronium, the target atom, is in the ground state, and for the formation of antihydrogen in the ground state when the positronium is in various excited electronic states (n = 1--2). The 1/n/sup 3/ behavior for the capture cross sections is used to calculate the total (that is, all states added together) integrated cross sections. The cross sections for the formation of antihydrogen presented here are obtained from those for the formation of positronium by the impact of positrons on hydrogen atoms by using charge invariance and the principle of detailed balance.
Ground-state geometric quantum computing in superconducting systems
Solinas, P.; Moettoenen, M.
2010-11-15
We present a theoretical proposal for the implementation of geometric quantum computing based on a Hamiltonian which has a doubly degenerate ground state. Thus the system which is steered adiabatically, remains in the ground-state. The proposed physical implementation relies on a superconducting circuit composed of three SQUIDs and two superconducting islands with the charge states encoding the logical states. We obtain a universal set of single-qubit gates and implement a nontrivial two-qubit gate exploiting the mutual inductance between two neighboring circuits, allowing us to realize a fully geometric ground-state quantum computing. The introduced paradigm for the implementation of geometric quantum computing is expected to be robust against environmental effects.
Efficient algorithm for approximating one-dimensional ground states
Aharonov, Dorit; Arad, Itai; Irani, Sandy
2010-07-15
The density-matrix renormalization-group method is very effective at finding ground states of one-dimensional (1D) quantum systems in practice, but it is a heuristic method, and there is no known proof for when it works. In this article we describe an efficient classical algorithm which provably finds a good approximation of the ground state of 1D systems under well-defined conditions. More precisely, our algorithm finds a matrix product state of bond dimension D whose energy approximates the minimal energy such states can achieve. The running time is exponential in D, and so the algorithm can be considered tractable even for D, which is logarithmic in the size of the chain. The result also implies trivially that the ground state of any local commuting Hamiltonian in 1D can be approximated efficiently; we improve this to an exact algorithm.
Probable Rotation States of Rocket Bodies in Low Earth Orbit
NASA Technical Reports Server (NTRS)
Ojakangas, Gregory W.; Anz-Meador, P.; Cowardin, H.
2012-01-01
In order for Active Debris Removal to be accomplished, it is critically important to understand the probable rotation states of orbiting, spent rocket bodies. As compared to the question of characterizing small unresolved debris, in this problem there are several advantages: (1) objects are of known size, mass, shape and color, (2) they have typically been in orbit for a known period of time, (3) they are large enough that resolved images may be obtainable for verification of predicted orientation, and (4) the dynamical problem is simplified to first order by largely cylindrical symmetry. It is also nearly certain for realistic rocket bodies that internal friction is appreciable in the case where residual liquid or, to a lesser degree, unconsolidated solid fuels exist. Equations of motion have been developed for this problem in which internal friction as well as torques due to solar radiation, magnetic induction, and gravitational gradient are included. In the case of pure cylindrical symmetry, the results are compared to analytical predictions patterned after the standard approach for analysis of symmetrical tops. This is possible because solar radiation and gravitational torques may be treated as conservative. Agreement between results of both methods ensures their mutual validity. For monotone symmetric cylinders, solar radiation torque vanishes if the center of mass resides at the geometric center of the object. Results indicate that in the absence of solar radiation effects, rotation states tend toward an equilibrium configuration in which rotation is about the axis of maximum inertia, with the axis of minimum inertia directed toward the center of the earth. Solar radiation torque introduces a modification to this orientation. The equilibrium state is asymptotically approached within a characteristic timescale given by a simple ratio of relevant characterizing parameters for the body in question. Light curves are simulated for the expected asymptotic final
Nature of ground and electronic excited states of higher acenes.
Yang, Yang; Davidson, Ernest R; Yang, Weitao
2016-08-30
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 (1)Ag 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 (3)B2u 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 (1)B2u is a zwitterionic state to the short axis. The excited (1)Ag 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 (1)B2u and excited (1)Ag 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
Nature of ground and electronic excited states of higher acenes.
Yang, Yang; Davidson, Ernest R; Yang, Weitao
2016-08-30
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 (1)Ag 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 (3)B2u 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 (1)B2u is a zwitterionic state to the short axis. The excited (1)Ag 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 (1)B2u and excited (1)Ag 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.
Ground-Water Availability in the United States
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.
The Submillimeter Spectrum of the Ground Torsional State of CH_2DOH
NASA Astrophysics Data System (ADS)
Pearson, John C.; Brauer, Carolyn S.; Yu, Shanshan; Drouin, Brian J.
2009-06-01
Methanol and its isotopologues are well known tracers of gas grain chemistry with deuteration of the methyl group being energetically favorable in very cold environments on grain surfaces. In order to study the early evolution of star forming cores, constrain grain chemistry, and to develop a methodology for addressing the completely asymmetric internal rotation problem, the spectrum of CH_2DOH in its ground torsional state has been investigated to 1.6 THz. The study has facilitated the assignment of a complete ladder of highly interconnected energy levels in the e_0, e_1 and o_1 sub-states. The ground state spectrum of completely asymmetric CH_2DOH with C_S symmetry has been assigned to J > 25 and K_a = 8,9,8 in each substate, respectively. This K-range facilitates coverage of one full period of ρK and provides some valuable insight into the completely asymmetric internal rotation problem. The energy level structure also provide a unique opportunity for a direct comparison to normal methanol with its C_{3V} internal rotation. The spectral features, analysis and energy level structure will be discussed and compared to that of normal methanol.
Graph states as ground states of two-body frustration-free Hamiltonians
NASA Astrophysics Data System (ADS)
Darmawan, Andrew S.; Bartlett, Stephen D.
2014-07-01
The framework of measurement-based quantum computation (MBQC) allows us to view the ground states of local Hamiltonians as potential resources for universal quantum computation. A central goal in this field is to find models with ground states that are universal for MBQC and that are also natural in the sense that they involve only two-body interactions and have a small local Hilbert space dimension. Graph states are the original resource states for MBQC, and while it is not possible to obtain graph states as exact ground states of two-body Hamiltonians, here we construct two-body frustration-free Hamiltonians that have arbitrarily good approximations of graph states as unique ground states. The construction involves taking a two-body frustration-free model that has a ground state convertible to a graph state with stochastic local operations, then deforming the model such that its ground state is close to a graph state. Each graph state qubit resides in a subspace of a higher dimensional particle. This deformation can be applied to two-body frustration-free Affleck-Kennedy-Lieb-Tasaki (AKLT) models, yielding Hamiltonians that are exactly solvable with exact tensor network expressions for ground states. For the star-lattice AKLT model, the ground state of which is not expected to be a universal resource for MBQC, applying such a deformation appears to enhance the computational power of the ground state, promoting it to a universal resource for MBQC. Transitions in computational power, similar to percolation phase transitions, can be observed when Hamiltonians are deformed in this way. Improving the fidelity of the ground state comes at the cost of a shrinking gap. While analytically proving gap properties for these types of models is difficult in general, we provide a detailed analysis of the deformation of a spin-1 AKLT state to a linear graph state.
Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
NASA Astrophysics Data System (ADS)
Torquato, S.; Zhang, G.; Stillinger, F. H.
2015-04-01
It has been shown numerically that systems of particles interacting with isotropic "stealthy" bounded long-ranged pair potentials (similar to Friedel oscillations) have classical ground states that are (counterintuitively) disordered, hyperuniform, and highly degenerate. Disordered hyperuniform systems have received attention recently because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d -dimensional Euclidean space Rd is highly nontrivial because the dimensionality of the configuration space depends on the number density ρ and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. The purpose of this paper is to take some initial steps in this direction. Specifically, we derive general exact relations for thermodynamic properties (energy, pressure, and isothermal compressibility) that apply to any ground-state ensemble as a function of ρ in any d , and we show how disordered degenerate ground states arise as part of the ground-state manifold. We also derive exact integral conditions that both the pair correlation function g2(r ) and structure factor S (k ) must obey for any d . We then specialize our results to the canonical ensemble (in the zero-temperature limit) by exploiting an ansatz that stealthy states behave remarkably like "pseudo"-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for g2(r ) and S (k ) are in excellent agreement with computer simulations across the first three space dimensions. These results are used to obtain order metrics, local number variance, and nearest-neighbor functions across dimensions. We also derive accurate analytical
Spin of the sup 219 Ra ground state
Hackett, E.D.; Kuehner, J.A.; Waddington, J.C. ); Jones, G.D.
1989-09-01
The {sup 208}Pb({sup 18}O,3{ital n}){sup 223}Th reaction at 83 MeV bombarding energy was used to populate the alpha-radioactive nucleus {sup 223}Th. Out-of-beam alpha-gamma coincidences were recorded at correlation angles of 90{degree} and 180{degree}. The {ital a}{sub 2} angular correlation coefficient was extracted for an alpha-gamma cascade to the {sup 215}Rn ground state via the 0.316 MeV excited state. This limited the assignment of the ground-state spin of {sup 219}Ra to ((7/2, 11) / 2 ){sup +}. .AE
Photoionization of ground and excited states of Ti I
NASA Astrophysics Data System (ADS)
Nahar, Sultana N.
2015-07-01
Detailed photoionization of ground and many excited states with autoionizing resonances of neutral Ti are presented. Ti I with 22 electrons forms a large number of bound states, the present work finds a total of 908 bound states with n ⩽ 10 and l ⩽ 8 . Photoionization cross sections (σPI) for all these bound states have been obtained. Calculations were carried out in the close-coupling R-matrix method using a wave function expansion that included 36 states of core ion Ti II. It is found that the resonances enhance the low energy region of photoionization of the ground and low lying excited states. The resonant features will increase the opacity, as expected of astrophysical observation, and hence play important role in determination of abundances in the elements in the astronomical objects. The excited states also show prominent structures of Seaton or photo-excitation-of-core resonances.
Resonant two-photon ionization spectroscopy of jet-cooled UN: Determination of the ground state
NASA Astrophysics Data System (ADS)
Matthew, Daniel J.; Morse, Michael D.
2013-05-01
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 U3+N3- species in which the closed shell nitride ligand interacts with a U3+ ion. The ground state of the molecule derives from a U3+ ion in its 7s15f 2 atomic configuration.
Mars' rotational state and tidal deformations from radio interferometry of a network of landers.
NASA Astrophysics Data System (ADS)
Iess, L.; Giuliani, S.; Dehant, V.
2012-04-01
The precise determination of the rotational state of solar system bodies is one of the main tools to investigate their interior structure. Unfortunately the accuracies required for geophysical interpretations are very stringent, and generally unattainable from orbit using optical or radar tracking of surface landmarks. Radio tracking of a lander from ground or from a spacecraft orbiting the planet offers substantial improvements, especially if the lander lifetime is adequately long. The optimal configuration is however attained when two or more landers can be simultaneously tracked from a ground antenna in an interferometric mode. ESA has been considering a network of landers on Mars since many years, and recently this concept has been revived by the study of the Mars Network Science Mission (MNSM). The scientific rationale of MNSM is the investigation of the Mars' interior and atmosphere by means of a network of two or three landers, making it especially suitable for interferometric observations. In order to synthesize an interferometer, the MNSN landers must be tracked simultaneously from a single ground antenna in a coherent two-way mode. The uplink radio signal (at X- or Ka-band) is received by the landers' transponders and retransmitted to ground in the same frequency band. The signals received at ground station are then recorded (typically at few tens of kHz) and beaten against each other to form the output of the interferometer, a complex phasor. The differential phase retain information on Mars' rotational parameters and tidal deformations. A crucial aspect of the interferometric configuration is the rejection of common noise and error sources. Errors in the station location, Earth orientation parameters and ephemerides, path delays due to the Earth troposphere and ionosphere, and, to a good extent, interplanetary plasma are cancelled out. The main residual errors are due to differential path delays from Mars' atmosphere and differential drifts of the
Ultracold triplet molecules in the rovibrational ground state.
Lang, F; Winkler, K; Strauss, C; Grimm, R; Denschlag, J Hecker
2008-09-26
We report here on the production of an ultracold gas of tightly bound Rb2 triplet molecules in the rovibrational ground state, close to quantum degeneracy. This is achieved by optically transferring weakly bound Rb2 molecules to the absolute lowest level of the ground triplet potential with a transfer efficiency of about 90%. The transfer takes place in a 3D optical lattice which traps a sizeable fraction of the tightly bound molecules with a lifetime exceeding 200 ms. PMID:18851446
Ground states of a prescribed mean curvature equation
NASA Astrophysics Data System (ADS)
del Pino, Manuel; Guerra, Ignacio
We study the existence of radial ground state solutions for the problem -div({∇u√{1+|})=u, u>0 in R, u(x)→0 as |x|→∞, N⩾3, q>1. It is known that this problem has infinitely many ground states when q⩾N+2}/{N-2}, while no solutions exist if q⩽N/N-2. A question raised by Ni and Serrin in [W.-M. Ni, J. Serrin, Existence and non-existence theorems for ground states for quasilinear partial differential equations, Atti Convegni Lincei 77 (1985) 231-257] is whether or not ground state solutions exist for N/N-2ground states with fast decay O(|) as |x|→+∞ provided that q lies below but close enough to the critical exponent {N+2}/{N-2}. These solutions develop a bubble-tower profile as q approaches the critical exponent.
Reyes, Juan C.; Kalkan, Erol
2012-01-01
In the United States, regulatory seismic codes (for example, California Building Code) require at least two sets of horizontal ground-motion components for three-dimensional (3D) response history analysis (RHA) of building structures. For sites within 5 kilometers (3.1 miles) of an active fault, these records should be rotated to fault-normal and fault-parallel (FN/FP) directions, and two RHAs should be performed separately—when FN and then FP direction are aligned with transverse direction of the building axes. This approach is assumed to lead to two sets of responses that envelope the range of possible responses over all nonredundant rotation angles. The validity of this assumption is examined here using 3D computer models of single-story structures having symmetric (torsionally stiff) and asymmetric (torsionally flexible) layouts subjected to an ensemble of near-fault ground motions with and without apparent velocity pulses. In this parametric study, the elastic vibration period is varied from 0.2 to 5 seconds, and yield-strength reduction factors, R, are varied from a value that leads to linear-elastic design to 3 and 5. Further validations are performed using 3D computer models of 9-story structures having symmetric and asymmetric layouts subjected to the same ground-motion set. The influence of the ground-motion rotation angle on several engineering demand parameters (EDPs) is examined in both linear-elastic and nonlinear-inelastic domains to form benchmarks for evaluating the use of the FN/FP directions and also the maximum direction (MD). The MD ground motion is a new definition for horizontal ground motions for use in site-specific ground-motion procedures for seismic design according to provisions of the American Society of Civil Engineers/Seismic Engineering Institute (ASCE/SEI) 7-10. The results of this study have important implications for current practice, suggesting that ground motions rotated to MD or FN/FP directions do not necessarily provide
Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters
Souza, T. X. R.; Macedo, C. A.
2016-01-01
In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh’s conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653
Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters.
Souza, T X R; Macedo, C A
2016-01-01
In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh's conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653
Estimation of beryllium ground state energy by Monte Carlo simulation
Kabir, K. M. Ariful; Halder, Amal
2015-05-15
Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.
Probing quantum frustrated systems via factorization of the ground state.
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.
Probing quantum frustrated systems via factorization of the ground state.
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. PMID:20867055
Rotational state distributions of NH(a /sup 1/. delta. ) from HNCO photodissociation
Spiglanin, T.A.; Chandler, D.W.
1987-08-01
We have examined the photofragmentation HNCO..-->..NH(a /sup 1/..delta..)+CO using radiation at wavelengths shorter than 230 nm. Nascent NH(a /sup 1/..delta..) shows relatively little rotational excitation, accounting for less than 12% of the energy in excess of the dissociation energy. The rotational state distributions evidence less population in high rotational states than predicted by statistical theories but more than expected on the basis of a simple impulsive dissociation. A semiclassical impulsive model that describes photoproduct rotation as developing during fragmentation successfully describes the rotational state distributions of NH(a /sup 1/..delta..) produced by HNCO photodissociation over a wide range of wavelengths. The success of this model in describing the NH rotational state distributions and previously measured CO rotational state distributions suggests that the excited state potential energy surface may be repulsive with minima in HNC and NCO bond angles each near 120/sup 0/.
A Remark on the Ground State Energy of Bosonic Atoms
NASA Astrophysics Data System (ADS)
Hogreve, H.
2011-08-01
Monotonicity properties of the ground state energy of bosonic atoms as established in a recent paper by M.K.H. Kiessling [J. Stat. Phys. 139:1063 (2009)] are studied. Symmetry and scaling arguments lead to a more direct proof of a slightly stronger result of this monotonicity and the behavior of the ground state energy as a function of the number of bosonic electrons. Furthermore, invoking appropriate lower and upper bounds on two-electron systems, the stability of the bosonics He- ion is rigorously demonstrated.
Ground state microstructure of a ferrofluid thin layer
Prokopieva, T. A.; Danilov, V. A.; Kantorovich, S. S.
2011-09-15
Using a fine weave of theoretical analysis and computer simulations, we found various aggregates of magnetic single-domain nanoparticles, which can form in a quasi-two-dimensional (q2D) ferrofluid layer at low temperatures. Our theoretical investigation allowed us to obtain exact expressions and their asymptotes for the energies of each configuration. Thus, for ferrofluid q2D layers it proved possible to identify the ground states as a function of the particle number, size, and other system parameters. Our suggested approach can be used for the investigation of ground state structures in systems with more complex interparticle interactions.
Two-electron photoionization of ground-state lithium
Kheifets, A. S.; Fursa, D. V.; Bray, I.
2009-12-15
We apply the convergent close-coupling (CCC) formalism to single-photon two-electron ionization of the lithium atom in its ground state. We treat this reaction as single-electron photon absorption followed by inelastic scattering of the photoelectron on a heliumlike Li{sup +} ion. The latter scattering process can be described accurately within the CCC formalism. We obtain integrated cross sections of single photoionization leading to the ground and various excited states of the Li{sup +} ion as well as double photoionization extending continuously from the threshold to the asymptotic limit of infinite photon energy. Comparison with available experimental and theoretical data validates the CCC model.
Theoretical study on the ground electronic state of FO(+) and FO(-).
Li, Song; Zheng, Rui; Chen, Shan-Jun; Zhu, De-Sheng; Fan, Qun-Chao
2014-12-10
The equilibrium structures of the ground electronic states for molecular ions FO(+) and FO(-) have been calculated by using the multi-reference configuration interaction method in combination with the augmented correlation-consistent basis sets up through sextuple zeta quality. The equilibrium parameters, potential energy curves and spectroscopic constants are derived for both species. The extrapolation schemes are adopted to estimate the complete basis set limit. The corrections of core-valence correlation and relativistic effect are included to improve the accuracy of the calculations. The vibrational energy levels as well as rotational and centrifugal distortion constants of the ground electronic states for both systems are obtained by solving the radial Schrödinger equation of nuclear motion. The computations on neutral FO radical are also carried out to investigate the ionization potentials and the electron affinities. PMID:24996216
Static Properties and Stark Effect of the Ground State of the HD Molecular Ion
NASA Technical Reports Server (NTRS)
Bhatia, A. K.; Drachman, Richard J.
1999-01-01
We have calculated static properties of the ground state of the HD(+) ion and its lowest-lying P-state without making use of the Born-Oppenheimer approximation, as was done in the case of H2(+) and D2(+) [Phys. Rev. A 58, 2787 (1998)]. The ion is treated as a three-body system whose ground state is spherically symmetric. The wavefunction is of generalized Hylleraas type, but it is necessary to include high powers of the internuclear distance to localize the nuclear motion. We obtain good values of the energies of the ground S-state and lowest P-state and compare them with earlier calculations. Expectation values are obtained for various operators, the Fermi contact parameters, and the permanent quadrupole moment. The cusp conditions are also calculated. The polarizability was then calculated using second-order perturbation theory with intermediate P pseudostates. Since the nuclei in HD(+) are not of equal mass there is dipole coupling between the lowest two rotational states, which are almost degenerate. This situation is carefully analyzed, and the Stark shift is calculated variationally as a function of the applied electric field.
Muon Spin Rotation Spectroscopy - Utilizing Muons in Solid State Physics
Suter, Andreas
2012-10-17
Over the past decades muon spin rotation techniques (mSR) have established themselves as an invaluable tool to study a variety of static and dynamic phenomena in bulk solid state physics and chemistry. Common to all these approaches is that the muon is utilized as a spin microprobe and/or hydrogen-like probe, implanted in the material under investigation. Recent developments extend the range of application to near surface phenomena, thin film and super-lattice studies. After briefly summarizing the production of so called surface muons used for bulk studies, and discussing the principle differences between pulsed and continuous muon beams, the production of keV-energy muon sources will be discussed. A few topical examples from different active research fields will be presented to demonstrate the power of these techniques.
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.
Tuning ground states and excitations in complex electronic materials
Bishop, A.R.
1996-09-01
Modern electronic materials are characterized by a great variety of broken-symmetry ground states and excitations. Their control requires understanding and tuning underlying driving forces of spin-charge-lattice coupling, critical to macroscopic properties and applications. We report representative model calculations which demonstrate some of the richness of the phenomena and the challenges for successful microscopic modeling.
Nuclear ground-state masses and deformations: FRDM(2012)
Moller, P.; Sierk, A. J.; Ichikawa, T.; Sagawa, H.
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
Nuclear ground-state masses and deformations: FRDM(2012)
NASA Astrophysics Data System (ADS)
Möller, P.; Sierk, A. J.; Ichikawa, T.; Sagawa, H.
2016-05-01
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 extensive and more accurate experimental mass data base now available allow us to determine one additional macroscopic-model parameter, the density-symmetry coefficient L, 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.
Selected bibliography of ground-water in the United States
Ward-McLemore, E.
1984-01-01
This bibliography contains 899 records related to the hydrology of the US. Specific topics include, but are not limited to: aquifers; artesian wells; geophysics; ground water; flow models; pollution; tritium; water levels; water policy; and legal aspects. The subject index provides listings of records related to each state. Some of the items (81) are themselves bibliographies.
The Ground State Energy of Heavy Atoms: The Leading Correction
NASA Astrophysics Data System (ADS)
Handrek, Michael; Siedentop, Heinz
2015-10-01
For heavy atoms (large atomic number Z) described by no-pair operators in the Furry picture, we find the ground state's leading energy correction. We compare the result with (semi-)empirical values and Schwinger's prediction showing more than qualitative agreement.
Attractive Correlated Electron-Pair Ground State of Resonant Bosons
NASA Astrophysics Data System (ADS)
Chakraverty, B. K.
We consider a strictly one-band Hamiltonian of electrons with attractive interaction between them. We show that in the interesting intermediate density regime, where V ≤ ɛF, the system admits a mixed state of free fermions and dynamic correlated pairs or resonant bosons. The inevitable coupling between the two sub-system produces a superconducting ground state. This should be called Schafroth Condensation.
Measured atomic ground-state polarizabilities of 35 metallic elements
NASA Astrophysics Data System (ADS)
Ma, Lei; Indergaard, John; Zhang, Baiqian; Larkin, Ilia; Moro, Ramiro; de Heer, Walt A.
2015-01-01
Advanced pulsed cryogenic molecular-beam electric deflection methods involving position-sensitive mass spectrometry and 7.87-eV ionizing radiation were used to measure the polarizabilities of more than half of the metallic elements in the Periodic Table. Concurrent Stern-Gerlach deflection measurements verified the ground-state condition of the measured atoms. Comparison with state-of-the-art calculations exposes significant systematic and isolated discrepancies throughout the Periodic Table.
Spectroscopic parameters of phosphine, PH3, in its ground vibrational state
NASA Astrophysics Data System (ADS)
Müller, Holger S. P.
2013-11-01
The ground state rotational spectrum of PH3 has been reanalyzed taking into account recently published very accurate data from sub-Doppler and conventional absorption spectroscopy measurements as well as previous data from the radio-frequency to the far-infrared regions. These data include ΔJ=ΔK=0 transitions between A1 and A2 levels, ΔJ=0, ΔK=3 transitions as well as regular ΔJ=1, ΔK=0 rotational transitions. Hyperfine splitting caused by the 31P and 1H nuclei has been considered, and the treatment of the A1/A2 splitting has been discussed briefly. Improved spectroscopic parameters have been obtained. Interestingly, the most pronounced effects occurred for the hyperfine parameters.
Measured Atomic Ground State Polarizabilities of 35 Metallic Elements
NASA Astrophysics Data System (ADS)
Indergaard, John; Ma, Lei; Zhang, Baiqian; Larkin, Ilia; Moro, Ramiro; de Heer, Walter
2015-03-01
Advanced pulsed cryogenic molecular beam electric deflection methods utilizing a position-sensitive mass spectrometer and 7.87 eV ionizing radiation were used to measure the polarizabilities of more than half of the metallic elements in the periodic table for the first time. These measurements increase the total number of experimentally obtained atomic polarizabilities from 23 to 57. Concurrent Stern-Gerlach deflection measurements verified the ground state condition of the measured atoms. Generating higher temperature beams allowed for the comparison of relative populations of the ground and excited states in order to extract the true temperature of the atomic beam, which followed the nominal temperature closely over a wide temperature range. Comparison of newly measured polarizabilities with state-of-the-art calculations exposes significant systematic and isolated discrepancies throughout the periodic table. Cluster Lab at Georgia Tech.
NASA Astrophysics Data System (ADS)
French, William; Mulligan, Frank
2010-05-01
Kinetic temperature profiles are retrieved from limb-emission radiance measurements of CO2 at 15 and 4.3 um by the SABER (Sounding of the Atmosphere using Broadband Emission Radiometry) instrument on the TIMED (Thermosphere Ionosphere Mesosphere Energetics and Dynamics) satellite. Profiles extend from about 20-120km and measurements are available since the spacecraft launch in Dec-2001. Hydroxyl (6-2) band rotational temperatures are measured using a ground-based scanning spectrometer at Davis station, Antarctica (68°S, 78°E). Measurements are available each year since 1995 on nights between early February and late October, when the sun is more than 6° below the horizon. In order to compare temperatures from these two instruments we must derive hydroxyl layer equivalent temperatures for the SABER profiles using a weighting function which represents the hydroxyl layer profile. In this study, we examine a number of different weighting profiles to determine the best equivalent to hydroxyl nightly average temperatures at Davis. These profiles include (1) the customary Gaussian peaked at 87km and width 8km [Baker and Stair, 1988 :Physica Scripta. 37 611-622], (2) the layer profile derived from WINDIIUARS hydroxyl height profiles [She and Lowe, 1998 :JASTP 60, 1573-1583], (3) layer profiles derived from the hydroxyl volume emission rate (VER) from the SABER OH-B channel at 1.6um, which contains the Meinel OH(4-2) and OH(5-3) bands and (4) a Gaussian fitted to the SABER hydroxyl VER peak. The comparison is made with approximately 2500 SABER retrievals from overpasses within 500km of Davis station, and with solar zenith angle >97°, which have coincident hydroxyl temperature measurements over the 8 winters between 2002 and 2009. Due to the satellite 60 day yaw cycle the sampling over Davis has occurred in approximately the same three time intervals each year; between days 75-140, 196-262 and 323-014, however the latter interval is entirely rejected on the solar zenith
New Measurement of the 5H Ground State
NASA Astrophysics Data System (ADS)
McNeel, Daniel G.; Wuosmaa, A. H.; Bedoor, S.; Newton, A. S.; Brown, K. W.; Charity, R. J.; Sobotka, L. G.; Buhro, W. W.; Chajecki, Z.; Lynch, W. G.; Manfredi, J.; Showalter, R. H.; Tsang, M. B.; Winklebauer, J. R.; Marley, S. T.; Shetty, D. V.
2015-10-01
We have studied the ground state of 5H using the 6He(d,3He)5H reaction in inverse kinematics. Existing data for 5H are in conflict with each other and with many theoretical predictions. This measurement provides a clear evidence for the 5H ground state, and the previously unreported 6He(d,t)5Heg.s. reaction is also observed. A 6He beam at 55 MeV/A produced at the National Superconducting Cyclotron Laboratory at Michigan State University bombarded a 1.9 mg/cm2 (CD2)n target. The reaction products were detected with HiRA (the High Resolution Array). The 3He and 3H particles from the 6He(d,3He/3H)5H/5He reactions were detected in coincidence with the decay products of the unstable 5H and 5He nuclei, providing signatures for the transitions of interest. The properties of the 5He ground state provide information about the calibration and response of the apparatus. Details of the measurement, and a comparison of the data with earlier results and theoretical calculations, will be presented. Work supported by the U.S. Department of Energy under Contracts DE-FG02-04ER41320 and DE-FG02-87ER40316, and the U. S. National Science Foundation under Grant Numbers PHY-1068217 and PHY-1068192.
Periodic Striped Ground States in Ising Models with Competing Interactions
NASA Astrophysics Data System (ADS)
Giuliani, Alessandro; Seiringer, Robert
2016-11-01
We consider Ising models in two and three dimensions, with short range ferromagnetic and long range, power-law decaying, antiferromagnetic interactions. We let J be the ratio between the strength of the ferromagnetic to antiferromagnetic interactions. The competition between these two kinds of interactions induces the system to form domains of minus spins in a background of plus spins, or vice versa. If the decay exponent p of the long range interaction is larger than d + 1, with d the space dimension, this happens for all values of J smaller than a critical value J c ( p), beyond which the ground state is homogeneous. In this paper, we give a characterization of the infinite volume ground states of the system, for p > 2 d and J in a left neighborhood of J c ( p). In particular, we prove that the quasi-one-dimensional states consisting of infinite stripes ( d = 2) or slabs ( d = 3), all of the same optimal width and orientation, and alternating magnetization, are infinite volume ground states. Our proof is based on localization bounds combined with reflection positivity.
Mixed configuration ground state in iron(II) phthalocyanine
NASA Astrophysics Data System (ADS)
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 3Eg(a1g 2eg3b2g 1) and 3B2 g(a1g 1eg4b2g 1) with the two configurations coupled by the spin-orbit interaction. The 3Eg(b ) and 3B2 g 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 spin 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 (5A1 g 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.
Periodic Striped Ground States in Ising Models with Competing Interactions
NASA Astrophysics Data System (ADS)
Giuliani, Alessandro; Seiringer, Robert
2016-06-01
We consider Ising models in two and three dimensions, with short range ferromagnetic and long range, power-law decaying, antiferromagnetic interactions. We let J be the ratio between the strength of the ferromagnetic to antiferromagnetic interactions. The competition between these two kinds of interactions induces the system to form domains of minus spins in a background of plus spins, or vice versa. If the decay exponent p of the long range interaction is larger than d + 1, with d the space dimension, this happens for all values of J smaller than a critical value J c (p), beyond which the ground state is homogeneous. In this paper, we give a characterization of the infinite volume ground states of the system, for p > 2d and J in a left neighborhood of J c (p). In particular, we prove that the quasi-one-dimensional states consisting of infinite stripes (d = 2) or slabs (d = 3), all of the same optimal width and orientation, and alternating magnetization, are infinite volume ground states. Our proof is based on localization bounds combined with reflection positivity.
Guidelines for ground motion definition for the eastern United States
Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.
1985-06-01
Guidelines for the determination of earthquake ground motion definition for the eastern United States are established here. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large- to great-sized earthquakes (M/sub s/ > 7.5) have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes has been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data have been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data, a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the safe shutdown earthquake (SSE). A new procedure for establishing the operating basis earthquake (OBE) is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., figs., tabs.
Ground states of trapped spin-1 condensates in magnetic field
Matuszewski, Michal
2010-11-15
We consider a spin-1 Bose-Einstein condensate trapped in a harmonic potential under the influence of a homogeneous magnetic field. We investigate spatial and spin structure of the mean-field ground states under constraints on the number of atoms and the total magnetization. We show that the trapping potential can make the antiferromagnetic condensate separate into three distinct phases and ferromagnetic condensate into two distinct phases. In the ferromagnetic case, the magnetization is located in the center of the harmonic trap, while in the antiferromagnetic case magnetized phases appear in the outer regions. We describe how the transition from the Thomas-Fermi regime to the single-mode approximation regime with decreasing number of atoms results in the disappearance of the domains. We suggest that the ground states can be created in experiment by adiabatically changing the magnetic-field strength.
Nuclear quadrupole moment of the {sup 99}Tc ground state
Errico, Leonardo; Darriba, German; Renteria, Mario; Tang Zhengning; Emmerich, Heike; Cottenier, Stefaan
2008-05-15
By combining first-principles calculations and existing nuclear magnetic resonance (NMR) experiments, we determine the quadrupole moment of the 9/2{sup +} ground state of {sup 99}Tc to be (-)0.14(3)b. This confirms the value of -0.129(20)b, which is currently believed to be the most reliable experimental determination, and disagrees with two earlier experimental values. We supply ab initio calculated electric-field gradients for Tc in YTc{sub 2} and ZrTc{sub 2}. If this calculated information would be combined with yet to be performed Tc-NMR experiments in these compounds, the error bar on the {sup 99}Tc ground state quadrupole moment could be further reduced.
Simulation of the hydrogen ground state in stochastic electrodynamics
NASA Astrophysics Data System (ADS)
Nieuwenhuizen, Theo M.; Liska, Matthew T. P.
2015-10-01
Stochastic electrodynamics is a classical theory which assumes that the physical vacuum consists of classical stochastic fields with average energy \\frac{1}{2}{{\\hslash }}ω in each mode, i.e., the zero-point Planck spectrum. While this classical theory explains many quantum phenomena related to harmonic oscillator problems, hard results on nonlinear systems are still lacking. In this work the hydrogen ground state is studied by numerically solving the Abraham-Lorentz equation in the dipole approximation. First the stochastic Gaussian field is represented by a sum over Gaussian frequency components, next the dynamics is solved numerically using OpenCL. The approach improves on work by Cole and Zou 2003 by treating the full 3d problem and reaching longer simulation times. The results are compared with a conjecture for the ground state phase space density. Though short time results suggest a trend towards confirmation, in all attempted modellings the atom ionises at longer times.
Kac-Moody symmetries of critical ground states
NASA Astrophysics Data System (ADS)
Kondev, Jané; Henley, Christopher L.
1996-02-01
The symmetries of critical ground states of two-dimensional lattice models are investigated. We show how mapping a critical ground state to a model of a rough interface can be used to identify the chiral symmetry algebra of the conformal field theory that describes its scaling limit. This is demonstrated in the case of the six-vertex model, the three-coloring model on the honeycomb lattice, and the four-coloring model on the square lattice. These models are critical and they are described in the continuum by conformal field theories whose symmetry algebras are the su(2) k=1 , su(3) k=1 , and the su(4) k=1 Kac-Moody algebra, respectively. Our approach is based on the Frenkel-Kac-Segal vertex operator construction of level-one Kac-Moody algebras.
The valence-fluctuating ground state of plutonium
Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; Ramos, Mike; Trouw, Frans; Zhu, Jian-Xin; Haule, Kristjan; Kotliar, Gabriel; Bauer, Eric D.
2015-01-01
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. Our study reveals that the ground state of plutonium is governed by 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. PMID:26601219
Room temperature skyrmion ground state stabilized through interlayer exchange coupling
Chen, Gong Schmid, Andreas K.; Mascaraque, Arantzazu; N'Diaye, Alpha T.
2015-06-15
Possible magnetic skyrmion device applications motivate the search for structures that extend the stability of skyrmion spin textures to ambient temperature. Here, we demonstrate an experimental approach to stabilize a room temperature skyrmion ground state in chiral magnetic films via exchange coupling across non-magnetic spacer layers. Using spin polarized low-energy electron microscopy to measure all three Cartesian components of the magnetization vector, we image the spin textures in Fe/Ni films. We show how tuning the thickness of a copper spacer layer between chiral Fe/Ni films and perpendicularly magnetized Ni layers permits stabilization of a chiral stripe phase, a skyrmion phase, and a single domain phase. This strategy to stabilize skyrmion ground states can be extended to other magnetic thin film systems and may be useful for designing skyrmion based spintronics devices.
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.
The valence-fluctuating ground state of plutonium
Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; Ramos, Mike; Trouw, Frans; Zhu, Jian -Xin; Haule, Kristjan; Kotliar, Gabriel; Bauer, Eric D.
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 by 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.
First evidence for a virtual 18B ground state
NASA Astrophysics Data System (ADS)
Spyrou, A.; Baumann, T.; Bazin, D.; Blanchon, G.; Bonaccorso, A.; Breitbach, E.; Brown, J.; Christian, G.; DeLine, A.; DeYoung, P. A.; Finck, J. E.; Frank, N.; Mosby, S.; Peters, W. A.; Russel, A.; Schiller, A.; Strongman, M. J.; Thoennessen, M.
2010-01-01
The decay of the neutron unbound ground state of 18B was studied for the first time through a single-proton knockout reaction from a 62 MeV/u 19C beam. The decay energy spectrum was reconstructed from coincidence measurements between the emitted neutron and the 17B fragment using the MoNA/Sweeper setup. An s-wave line shape was used to describe the experimental spectrum resulting in an upper limit for the scattering length of - 50 fm which corresponds to a decay energy <10 keV. Observing an s-wave decay of 18B provides an experimental verification that the ground state of 19C includes a large s-wave component. The presence of this s-wave component shows that s-d mixing is still present in 18B and that the s1 / 2 orbital has not moved significantly below the d5 / 2 orbital.
Tuning the Ground State Symmetry of Acetylenyl Radicals
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
Tuning the Ground State Symmetry of Acetylenyl Radicals.
Zeng, Tao; Danovich, David; Shaik, Sason; Ananth, Nandini; Hoffmann, Roald
2015-08-26
The lowest excited state of the acetylenyl radical, HCC, is a (2)Π state, only 0.46 eV above the ground state, (2)Σ(+). 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 (2)Π and (2)Σ(+) 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 (2)Π ground states (NaOCC, H2NCC ((2)A″), HCSi, FCSi, etc.) and vary the (2)Σ(+)-(2)Π 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
Photoionization of furan from the ground and excited electronic states
NASA Astrophysics Data System (ADS)
Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nada; Decleva, Piero
2016-02-01
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.
Photoionization of furan from the ground and excited electronic states.
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. PMID:26931702
Tuning the Ground State Symmetry of Acetylenyl Radicals.
Zeng, Tao; Danovich, David; Shaik, Sason; Ananth, Nandini; Hoffmann, Roald
2015-08-26
The lowest excited state of the acetylenyl radical, HCC, is a (2)Π state, only 0.46 eV above the ground state, (2)Σ(+). 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 (2)Π and (2)Σ(+) 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 (2)Π ground states (NaOCC, H2NCC ((2)A″), HCSi, FCSi, etc.) and vary the (2)Σ(+)-(2)Π 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.
Electronic and ground state properties of ThTe
NASA Astrophysics Data System (ADS)
Bhardwaj, Purvee; Singh, Sadhna
2016-05-01
The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.
Improvement in a phenomenological formula for ground state binding energies
NASA Astrophysics Data System (ADS)
Gangopadhyay, G.
2016-07-01
The phenomenological formula for ground state binding energy derived earlier [G. Gangopadhyay, Int. J. Mod. Phys. E 20 (2011) 179] has been modified. The parameters have been obtained by fitting the latest available tabulation of experimental values. The major modifications include a new term for pairing and introduction of a new neutron magic number at N = 160. The new formula reduced the root mean square deviation to 363keV, a substantial improvement over the previous version of the formula.
Ground-state energy and relativistic corrections for positronium hydride
Bubin, Sergiy; Varga, Kalman
2011-07-15
Variational calculations of the ground state of positronium hydride (HPs) are reported, including various expectation values, electron-positron annihilation rates, and leading relativistic corrections to the total and dissociation energies. The calculations have been performed using a basis set of 4000 thoroughly optimized explicitly correlated Gaussian basis functions. The relative accuracy of the variational energy upper bound is estimated to be of the order of 2x10{sup -10}, which is a significant improvement over previous nonrelativistic results.
Observation of γ vibrations and alignments built on non-ground-state configurations in 156Dy
NASA Astrophysics Data System (ADS)
Majola, S. N. T.; Hartley, D. J.; Riedinger, L. L.; Sharpey-Schafer, J. F.; Allmond, J. M.; Beausang, C.; Carpenter, M. P.; Chiara, C. J.; Cooper, N.; Curien, D.; Gall, B. J. P.; Garrett, P. E.; Janssens, R. V. F.; Kondev, F. G.; Kulp, W. D.; Lauritsen, T.; McCutchan, E. A.; Miller, D.; Piot, J.; Redon, N.; Riley, M. A.; Simpson, J.; Stefanescu, I.; Werner, V.; Wang, X.; Wood, J. L.; Yu, C.-H.; Zhu, S.
2015-03-01
The exact nature of the lowest Kπ=2+ rotational bands in all deformed nuclei remains obscure. Traditionally they are assumed to be collective vibrations of the nuclear shape in the γ degree of freedom perpendicular to the nuclear symmetry axis. Very few such γ bands have been traced past the usual backbending rotational alignments of high-j nucleons. We have investigated the structure of positive-parity bands in the N =90 nucleus 156Dy , using the 148Nd(12C,4 n ) 156Dy reaction at 65 MeV, observing the resulting γ-ray transitions with the Gammasphere array. The even- and odd-spin members of the Kπ=2+ γ band are observed up to 32+ and 31+, respectively. This rotational band faithfully tracks the ground-state configuration to the highest spins. The members of a possible γ vibration built on the aligned yrast S band are observed up to spins 28+ and 27+. An even-spin positive-parity band, observed up to spin 24+, is a candidate for an aligned S band built on the seniority-zero configuration of the 02+ state at 676 keV. The crossing of this band with the 02+ band is at ℏ ωc=0.28 (1 ) MeV and is consistent with the configuration of the 02+ band not producing any blocking of the monopole pairing.
Kalkan, Erol; ,
2012-01-01
Building codes in the U.S. require at least two horizontal ground motion components for three-dimensional (3D) response history analysis (RHA) of structures. For sites within 5 km of an active fault, these records should be rotated to fault-normal/fault-parallel (FN/FP) directions, and two RHA analyses should be performed separately (when FN and then FP are aligned with transverse direction of the structural axes). It is assumed that this approach will lead to two sets of responses that envelope the range of possible responses over all non-redundant rotation angles. This assumption is examined here using 3D computer models of a single-story structure having symmetric (that is, torsionally-stiff) and asymmetric (that is, torsionally flexible) layouts subjected to an ensemble of bi-directional near-fault strong ground motions with and without apparent velocity pulses. In this parametric study, the elastic vibration period of the structures is varied from 0.2 to 5 seconds, and yield strength reduction factors R is varied from a value that leads to linear-elastic design to 3 and 5. The influence that the rotation angle of the ground motion has on several engineering demand parameters (EDPs) is examined in linear-elastic and nonlinear-inelastic domains to form a benchmark for evaluating the use of the FN/FP directions as well as the maximum-direction (MD) ground motion, a new definition of horizontal ground motions for use in the seismic design of structures according to the 2009 NEHRP Provisions and Commentary.
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.
Alternative ground states enable pathway switching in biological electron transfer
Abriata, Luciano A.; Alvarez-Paggi, Damian; Ledesma, Gabirela N.; Blackburn, Ninian J.; Vila, Alejandro J.; Murgida, Daniel H.
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
Alternative ground states enable pathway switching in biological electron transfer
Abriata, Luciano A.; Álvarez-Paggi, Damián; Ledesma, Gabriela N.; Blackburn, Ninian J.; Vila, Alejandro J.; Murgida, Daniel H.
2012-01-01
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 electronic wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. 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. PMID:23054836
Coherent Transfer of Photoassociated Molecules into the Rovibrational Ground State
NASA Astrophysics Data System (ADS)
Inouye, Shin
2011-05-01
Recently, there have been impressive advances in methods of creating ultracold molecules from ultracold atomic gases. One of the key technologies used there is Stimulated Raman Adiabatic Passage (STIRAP), which has been successfully used for transferring Feshbach molecules into the rovibrational ground state. Since STIRAP relies on quantum coherence, it is unclear if STIRAP is also useful for non-polarized sample, like photo-associated molecules in a magneto-optical trap. Here we report on the SITRAP transfer of weakly bound molecules produced by photoassociation (PA). Laser cooled 41 K and 87 Rb atoms were first photo-associated into loosely-bound molecules in the X 1 Σ potential. Using v = 41, J = 1 level in the (3) 1 Σ potential as an intermediate level, we succeeded in transferring molecules in the v = 91, J = 0 level into the absolute ground state (X 1 Σ , v = 0, N = 0). High-resolution spectroscopy based on the coherent transfer revealed the hyperfine structure of both weakly-bound and tightly-bound molecules. Our results show that a pure sample of ultracold ground-state molecules is achieved via the all-optical association of laser-cooled atoms, opening possibilities to coherently manipulate a wide variety of molecules.In collaboration with Kiyotaka Aikawa, Kohei Oasa, University of Tokyo; Masahito Ueda, University of Tokyo, JST, ERATO; Jun Kobayashi, University of Tokyo; and Tetsuo Kishimoto, University of Electro-Communications.
Bane, Michael K; Robertson, Evan G; Thompson, Christopher D; Medcraft, Chris; Appadoo, Dominique R T; McNaughton, Don
2011-06-21
High resolution FTIR spectra of the short lived species ketenimine have been recorded in the regions 390-1300 cm(-1) and 20-110 cm(-1) using synchrotron radiation. Two thousand six hundred sixty transitions of the ν(7) band centered at 693 cm(-1) and 126 far-IR rotational transitions have been assigned. Rotational and centrifugal distortion parameters for the ν(7) mode were determined and local Fermi and b-axis Coriolis interactions with 2ν(12) are treated. A further refinement of the ground state, ν(12) and ν(8) parameters was also achieved, including the treatment of previously unrecognized ac-axis and ab-axis second order perturbations to the ground state.
Pardes, A M; Freedman, B R; Soslowsky, L J
2016-02-01
Gait analysis is a quantitative, non-invasive technique that can be used to investigate functional changes in animal models of musculoskeletal disease. Changes in ground reaction forces following injury have been observed that coincide with differences in tissue mechanical and histological properties during healing. However, measurement of these kinetic gait parameters can be laborious compared to the simpler and less time-consuming analysis of temporal gait parameters alone. We compared the sensitivity of temporal and kinetic gait parameters in detecting functional changes following rotator cuff injury in rats. Although these parameters were strongly correlated, temporal measures were unable to detect greater than 50% of the functional gait differences between injured and uninjured animals identified simultaneously by ground reaction forces. Regression analysis was used to predict ground reaction forces from temporal parameters. This model improved the ability of temporal parameters to identify known functional changes, but only when these differences were large in magnitude (i.e., between injured vs. uninjured animals, but not between different post-operative treatments). The results of this study suggest that ground reaction forces are more sensitive measures of limb/joint function than temporal parameters following rotator cuff injury in rats. Therefore, although gait analysis systems without force plates are typically efficient and easy to use, they may be most appropriate for use when major functional changes are expected. PMID:26768230
Ground state energies from converging and diverging power series expansions
NASA Astrophysics Data System (ADS)
Lisowski, C.; Norris, S.; Pelphrey, R.; Stefanovich, E.; Su, Q.; Grobe, R.
2016-10-01
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, 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.
Two different ground states in K-intercalated polyacenes
NASA Astrophysics Data System (ADS)
Phan, Quynh T. N.; Heguri, Satoshi; Tamura, Hiroyuki; Nakano, Takehito; Nozue, Yasuo; Tanigaki, Katsumi
2016-02-01
The electronic states of potassium- (K-) intercalated zigzag-type polycyclic aromatic (PLA) hydrocarbon [polyacene PLAs] Kx(PLAs ) are studied for a series of the four smallest molecules: naphthalene (NN), anthracene (AN), tetracene (TN), and pentacene (PN), focusing on their 1:1 stoichiometric phases. Clear experimental differences are identified between the first group [K1(NN ) and K1(AN ) ] and the second group [K1(TN ) and K1(PN ) ] by magnetic, vibrational, and optical measurements. The first group is categorized as a Mott insulator with an antiferromagnetic ground state with energy of ˜10 meV, whereas the second group is classified as a band insulator via dimer formation due to the spin Peierls instability. In the latter system, the first thermally accessible triplet states are located far apart from the singlet ground states and are not detected by electron spin-resonance spectroscopy until 300 K being very different from what is observed for the hole-doped PN reported earlier. The results give a new systematic understanding on the electronic states of electron-doped PLAs sensitive to the energetic balance among on-site Coulomb repulsion, bandwidth, and the Peierls instability.
Prediction and Control of Slip-Free Rotation States in Sphere Assemblies.
Stäger, D V; Araújo, N A M; Herrmann, H J
2016-06-24
We study fixed assemblies of touching spheres that can individually rotate. From any initial state, sliding friction drives an assembly toward a slip-free rotation state. For bipartite assemblies, which have only even loops, this state has at least four degrees of freedom. For exactly four degrees of freedom, we analytically predict the final state, which we prove to be independent of the strength of sliding friction, from an arbitrary initial one. With a tabletop experiment, we show how to impose any slip-free rotation state by only controlling two spheres, regardless of the total number.
Ground state of naphthyl cation: Singlet or triplet?
Dutta, Achintya Kumar; Vaval, Nayana Pal, Sourav; Manohar, Prashant U.
2014-03-21
We present a benchmark theoretical investigation on the electronic structure and singlet-triplet(S-T) gap of 1- and 2-naphthyl cations using the CCSD(T) method. Our calculations reveal that the ground states of both the naphthyl cations are singlet, contrary to the results obtained by DFT/B3LYP calculations reported in previous theoretical studies. However, the triplet states obtained in the two structural isomers of naphthyl cation are completely different. The triplet state in 1-naphthyl cation is (π,σ) type, whereas in 2-naphthyl cation it is (σ,σ{sup ′}) type. The S-T gaps in naphthyl cations and the relative stability ordering of the singlet and the triplet states are highly sensitive to the basis-set quality as well as level of correlation, and demand for inclusion of perturbative triples in the coupled-cluster ansatz.
Experimental Proposal to Detect Topological Ground State Degeneracy
NASA Astrophysics Data System (ADS)
Barkeshli, Maissam; Oreg, Yuval; Qi, Xiao-Liang
2014-03-01
One of the most profound features of topologically ordered states of matter, such as the fractional quantum Hall (FQH) states, is that they possess topology-dependent ground state degeneracies that are robust to all local perturbations. Here we present the first proposal to directly detect these topological degeneracies in an experimentally accessible setup. The detection scheme uses nonlinear electrical conductance measurements in a double layer FQH system, with appropriately patterned top and bottom gates. We propose two experimental platforms; in the first, the detection of topo- logically degenerate states coincides with the detection of ZN parafermion zero modes. We map the relevant physics to a single-channel ZN quantum impurity model, providing a novel generalization of the Kondo model. Our proposal can also be adapted to detect the ZN parafermion zero modes recently discovered in FQH line junctions proximitized with superconductivity.
Microwave Spectrum of the PD2 Radical in the 2B1 Ground Electronic State
Hirao; Hayakashi; Yamamoto; Saito
1998-02-01
The rotational spectrum of the PD2 radical in the 2B1 ground electronic state was observed in the region 165-463 GHz using a source-modulated microwave spectrometer. The PD2 radical was generated in a free-space absorption cell by a dc glow discharge of D2 over red phosphorus grains which were placed in the middle of the Pyrex glass cell. One hundred thirty fine and hyperfine components of 20 b-type rotational transitions were measured and analyzed by least-squares methods. The rotational and centrifugal distortion constants, the spin-rotation coupling constants with their centrifugal distortion terms, and the hyperfine coupling constants of both the phosphorus and the deuterium nuclei were precisely determined. The phosphorus nuclear spin-rotation coupling constants were found to have relatively large values: Caa(P) = 0.4815(89) MHz, Cbb(P) = 0.2501 (104) MHz, and Ccc(P) = 0.0564 (74) MHz, as suggested from those of PH2. The harmonic force field of PH2 was derived from centrifugal distortion constants, inertial defects, and the reported vibrational frequencies for PH2 and PD2. The determined force field was used to make harmonic corrections to the observed moments of inertia, and the rz structures for both species were derived,PH2: rz(PH) = 1.43365(23) A, thetaz(HPH) = 91.622(32)degreesandPD2: rz(PD) = 1.42852(17) A, thetaz(DPD) = 91.646(23)degrees,where errors in parentheses are due to residual inertial defects of the corrected moments of inertia. Copyright 1998 Academic Press. Copyright 1998Academic Press
On the vibrational assignment in the ground electronic state of NO3
NASA Astrophysics Data System (ADS)
Kawaguchi, Kentarou; Fujimori, Ryuji; Tang, Jian; Ishiwata, Takashi
2015-08-01
The vibration-rotational structure of the ground A2‧ state of the NO3 radical is re-considered, because Hirota (2015) presented an objection to the vibrational assignment of our previous papers (Kawaguchi et al., 2011, 2013; Fujimori et al., 2013). The present study examines the vibrational assignment in the following points, (1) laser induced fluorescence (LIF) spectra observed by Fukushima and Ishiwata in the 1050 cm-1 region, (2) Fourier transform (FT) spectra of vibrational bands from the v4 = 1 state, and a diode laser spectrum of the 2ν4 band. These considerations support our previous assignments, that is, ν3 + ν4 = 1492 cm-1 and ν3 = 1055 cm-1 for 14NO3.
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.
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.
Calculation of electron scattering from the ground state of ytterbium
Bostock, Christopher J.; Fursa, Dmitry V.; Bray, Igor
2011-05-15
We report on the application of the convergent close-coupling method, in both relativistic and nonrelativistic formulations, to electron scattering from ytterbium. Angle-differential and integrated cross sections are presented for elastic scattering and excitation of the states (6s6p){sup 3}P{sub 0,1,2}, (6s6p){sup 1}P{sub 1}{sup o}, (6s7p){sup 1}P{sub 1}{sup o}, and (6s5d){sup 1}D{sub 2}{sup e} for a range of incident electron energies. We also present calculations of the total cross section, and angle-differential Stokes parameters for excitation of the (6s6p){sup 3}P{sub 1}{sup o} state from the ground state. A comparison is made with the relativistic distorted-wave method and experiments.
Photoionization of Fe7+ from the ground and metastable states
NASA Astrophysics Data System (ADS)
Tayal, S. S.; Zatsarinny, O.
2015-01-01
The B -spline Breit-Pauli R -matrix method is used to investigate the photoionization of Fe7 + from the ground and metastable states in the energy region from ionization thresholds to 172 eV. The present calculations were designed to resolve the large discrepancies between recent measurements and available theoretical results. The multiconfiguration Hartree-Fock method in connection with B -spline expansions is employed for an accurate representation of the initial- and final-state wave functions. The close-coupling expansion includes 99 fine-structure levels of the residual Fe8 + ion in the energy region up to 3 s23 p54 s states. It includes levels of the 3 s23 p6,3 s23 p53 d ,3 s23 p54 s , and 3 s 3 p63 d configurations and some levels of the 3 s23 p43 d2 configuration which lie in the energy region under investigation. The present photoionization cross sections in the length and velocity formulations exhibit excellent agreement. The present photoionization cross sections agree well with the Breit-Pauli R -matrix calculation by Sossah et al. and the TOPbase data in the magnitude of the background nonresonant cross sections but show somewhat richer resonance structures, which qualitatively agree with the measurements. The calculated cross sections, however, are several times lower than the measured cross sections, depending upon the photon energy. The cross sections for photoionization of metastable states were found to have approximately the same magnitude as the cross sections for photoionization of the ground state, thereby the presence of metastable states in the ion beam may not be the reason for the enhancement of the measured cross sections.
Spatial competition of the ground states in 1111 iron pnictides
NASA Astrophysics Data System (ADS)
Lang, G.; Veyrat, L.; Gräfe, U.; Hammerath, F.; Paar, D.; Behr, G.; Wurmehl, S.; Grafe, H.-J.
2016-07-01
Using nuclear quadrupole resonance, the phase diagram of 1111 R FeAsO1 -xFx (R =La , Ce, Sm) iron pnictides is constructed as a function of the local charge distribution in the paramagnetic state, which features low-doping-like (LD-like) and high-doping-like (HD-like) regions. Compounds based on magnetic rare earths (Ce, Sm) display a unified behavior, and comparison with La-based compounds reveals the detrimental role of static iron 3 d magnetism on superconductivity, as well as a qualitatively different evolution of the latter at high doping. It is found that the LD-like regions fully account for the orthorhombicity of the system, and are thus the origin of any static iron magnetism. Orthorhombicity and static magnetism are not hindered by superconductivity but limited by dilution effects, in agreement with two-dimensional (2D) (respectively three-dimensional) nearest-neighbor square lattice site percolation when the rare earth is nonmagnetic (respectively magnetic). The LD-like regions are not intrinsically supportive of superconductivity, contrary to the HD-like regions, as evidenced by the well-defined Uemura relation between the superconducting transition temperature and the superfluid density when accounting for the proximity effect. This leads us to propose a complete description of the interplay of ground states in 1111 pnictides, where nanoscopic regions compete to establish the ground state through suppression of superconductivity by static magnetism, and extension of superconductivity by proximity effect.
Ground-state Electronic Structure of Actinide Monocarbides and Mononitrides
Petit, Leon; Svane, Axel; Szotek, Zdzislawa; Temmerman, Walter M; Stocks, George Malcolm
2009-01-01
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually increasing degree of f electron localization from U to Cm, with the tendency toward localization being slightly stronger in the (more ionic) nitrides compared to the (more covalent) carbides. The itinerant band picture is found to be adequate for UC and acceptable for UN, while a more complex manifold of competing localized and delocalized f-electron configurations underlies the ground states of NpC, PuC, AmC, NpN, and PuN. The fully localized 5f-electron configuration is realized in CmC (f{sup 7}), CmN (f{sup 7}), and AmN (f{sup 6}). The observed sudden increase in lattice parameter from PuN to AmN is found to be related to the localization transition. The calculated valence electron densities of states are in good agreement with photoemission data.
Mercury's rotational state from combined MESSENGER laser altimeter and image data
NASA Astrophysics Data System (ADS)
Stark, Alexander; Oberst, Jürgen; Preusker, Frank; Margot, Jean-Luc; Phillips, Roger J.; Neumann, Gregory A.; Smith, David E.; Zuber, Maria T.; Solomon, Sean C.
2016-04-01
With orbital data from the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft, we measured the rotational state of Mercury. We developed a novel approach that combined digital terrain models from stereo images (stereo DTMs) and laser altimeter data, and we applied it to 3 years of MESSENGER observations. We find a large libration amplitude, which in combination with the measured obliquity confirms that Mercury possesses a liquid outer core. Our results confirm previous Earth-based observations of Mercury's rotational state. However, we measured a rotation rate that deviates significantly from the mean resonant rotation rate. The larger rotation rate can be interpreted as the signature of a long-period libration cycle. From these findings we derived new constraints on the interior structure of Mercury. The measured rotational parameters define Mercury's body-fixed frame and are critical for the coordinate system of the planet as well as for planning the future BepiColombo spacecraft mission.
Ground state of a resonantly interacting Bose gas
Diederix, J. M.; Heijst, T. C. F. van; Stoof, H. T. C.
2011-09-15
We show that a two-channel mean-field theory for a Bose gas near a Feshbach resonance allows for an analytic computation of the chemical potential, and therefore the universal constant {beta}, at unitarity. To improve on this mean-field theory, which physically neglects condensate depletion, we study a variational Jastrow ansatz for the ground-state wave function and use the hypernetted-chain approximation to minimize the energy for all positive values of the scattering length. We also show that other important physical quantities such as Tan's contact and the condensate fraction can be directly obtained from this approach.
All-optical reconstruction of atomic ground-state population
NASA Astrophysics Data System (ADS)
London, P.; Firstenberg, O.; Shuker, M.; Ron, A.
2010-04-01
The population distribution within the ground state of an atomic ensemble is of great significance in a variety of quantum-optics processes. We present a method to reconstruct the detailed population distribution from a set of absorption measurements with various frequencies and polarizations, by utilizing the differences between the dipole matrix elements of the probed transitions. The technique is experimentally implemented on a thermal rubidium vapor, demonstrating a population-based analysis in two optical-pumping examples. The results are used to verify and calibrate an elaborated numerical model, and the limitations of the reconstruction scheme, which result from the symmetry properties of the dipole matrix elements, are discussed.
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.
Unparticle contribution to the hydrogen atom ground state energy
NASA Astrophysics Data System (ADS)
Wondrak, Michael F.; Nicolini, Piero; Bleicher, Marcus
2016-08-01
In the present work we study the effect of unparticle modified static potentials on the energy levels of the hydrogen atom. By using Rayleigh-Schrödinger perturbation theory, we obtain the energy shift of the ground state and compare it with experimental data. Bounds on the unparticle energy scale ΛU as a function of the scaling dimension dU and the coupling constant λ are derived. We show that there exists a parameter region where bounds on ΛU are stringent, signaling that unparticles could be tested in atomic physics experiments.
Ground state solutions for non-autonomous fractional Choquard equations
NASA Astrophysics Data System (ADS)
Chen, Yan-Hong; Liu, Chungen
2016-06-01
We consider the following nonlinear fractional Choquard equation, {(‑Δ)su+u=(1+a(x))(Iα ∗ (|u| p))|u| p‑2uin RN,u(x)→0as |x|→∞, here s\\in (0,1) , α \\in (0,N) , p\\in ≤ft[2,∞ \\right) and \\frac{N-2s}{N+α}<\\frac{1}{p}<\\frac{N}{N+α} . Assume {{\\lim}|x|\\to ∞}a(x)=0 and satisfying suitable assumptions but not requiring any symmetry property on a(x), we prove the existence of ground state solutions for (0.1).
First Observation of Ground State Dineutron Decay: Be16
NASA Astrophysics Data System (ADS)
Spyrou, A.; Kohley, Z.; Baumann, T.; Bazin, D.; Brown, B. A.; Christian, G.; Deyoung, P. A.; Finck, J. E.; Frank, N.; Lunderberg, E.; Mosby, S.; Peters, W. A.; Schiller, A.; Smith, J. K.; Snyder, J.; Strongman, M. J.; Thoennessen, M.; Volya, A.
2012-03-01
We report on the first observation of dineutron emission in the decay of Be16. A single-proton knockout reaction from a 53MeV/u B17 beam was used to populate the ground state of Be16. Be16 is bound with respect to the emission of one neutron and unbound to two-neutron emission. The dineutron character of the decay is evidenced by a small emission angle between the two neutrons. The two-neutron separation energy of Be16 was measured to be 1.35(10) MeV, in good agreement with shell model calculations, using standard interactions for this mass region.
Evidence for the Ground-State Resonance of O26
NASA Astrophysics Data System (ADS)
Lunderberg, E.; DeYoung, P. A.; Kohley, Z.; Attanayake, H.; Baumann, T.; Bazin, D.; Christian, G.; Divaratne, D.; Grimes, S. M.; Haagsma, A.; Finck, J. E.; Frank, N.; Luther, B.; Mosby, S.; Nagi, T.; Peaslee, G. F.; Schiller, A.; Snyder, J.; Spyrou, A.; Strongman, M. J.; Thoennessen, M.
2012-04-01
Evidence for the ground state of the neutron-unbound nucleus O26 was observed for the first time in the single proton-knockout reaction from a 82MeV/u F27 beam. Neutrons were measured in coincidence with O24 fragments. O26 was determined to be unbound by 150-150+50keV from the observation of low-energy neutrons. This result agrees with recent shell-model calculations based on microscopic two- and three-nucleon forces.
Ground state solutions for non-autonomous fractional Choquard equations
NASA Astrophysics Data System (ADS)
Chen, Yan-Hong; Liu, Chungen
2016-06-01
We consider the following nonlinear fractional Choquard equation, {(-Δ)su+u=(1+a(x))(Iα ∗ (|u| p))|u| p-2uin RN,u(x)→0as |x|→∞, here s\\in (0,1) , α \\in (0,N) , p\\in ≤ft[2,∞ \\right) and \\frac{N-2s}{N+α}<\\frac{1}{p}<\\frac{N}{N+α} . Assume {{\\lim}|x|\\to ∞}a(x)=0 and satisfying suitable assumptions but not requiring any symmetry property on a(x), we prove the existence of ground state solutions for (0.1).
Structure of best possible strategies for finding ground states
NASA Astrophysics Data System (ADS)
Hoffmann, Karl Heinz; Franz, Astrid; Salamon, Peter
2002-10-01
Finding the ground state of a system with a complex energy landscape is important for many physical problems including protein folding, spin glasses, chemical clusters, and neural networks. Such problems are usually solved by heuristic search methods whose efficacy is judged by empirical performance on selected examples. We present a proof that for a wide range of objective functions threshold accepting is the best possible strategy within a large class of algorithms that simulate random walks on the landscape. In particular, it can perform better than simulated annealing, Tsallis and Glauber statistics.
Ground state of bilayer hα-silica: mechanical and electronic properties
NASA Astrophysics Data System (ADS)
Han, Yang; Hu, Ming
2015-12-01
The family of two-dimensional (2D) crystals was recently joined by silica, one of the most abundant resources on earth. So far two different polymorphs of this material, namely a tetrahedra-shaped monolayer and a fully saturated bilayer structure, have been synthesized on various metal substrates and their fascinating properties enable 2D silica to hold promise in nanoelectronic device applications. In this paper a new ground state of bilayer—AAr-stacking hα-silica—has been discovered by first principles calculations. The new structure is featured with a formation of Si-Si bonds between all sp3 hybridized SiO3 triangular pyramids, lying respectively in different silica layers, with an intrinsic rotational angle of about 12.5° along the out-of-plane Si-Si bond. Due to the doubled number of Si-Si bonds in the new structure, the system energy is lowered by nearly three times more than that reported recently in literature (0.8 eV) (Özçelik et al 2014 Phys. Rev. Lett. 112 246803), when compared with the single layer hα-silica. A mechanical property investigation shows that the AAr-stacking bilayer hα-silica possesses high in-plane stiffness and a negative Poisson’s ratio, which stems from the intrinsic rotational angle of the SiO3 triangular pyramids. Strikingly, the negative Poisson’s ratio evolves into positive at a critical tensile strain ɛ ≈ 1.2%. Such negative-to-positive evolvement is associated with the adaptation of the rotational angle to the applied strain and the structure transition into the nearby valley of the energy landscape. The detailed transition process has been thoroughly analyzed. The electronic properties of the new ground state are also calculated, along with their response to the external strain. Our new ground state structure introduces a new member to the family of 2D bilayer silica materials and is expected to facilitate experimental studies identifying the related structures and exploring further physical and chemical
NASA Astrophysics Data System (ADS)
Mottola, S.; Lowry, S.; Snodgrass, C.; Lamy, P. L.; Toth, I.; Rożek, A.; Sierks, H.; A'Hearn, M. F.; Angrilli, F.; Barbieri, C.; Barucci, M. A.; Bertaux, J.-L.; Cremonese, G.; Da Deppo, V.; Davidsson, B.; De Cecco, M.; Debei, S.; Fornasier, S.; Fulle, M.; Groussin, O.; Gutiérrez, P.; Hviid, S. F.; Ip, W.; Jorda, L.; Keller, H. U.; Knollenberg, J.; Koschny, D.; Kramm, R.; Kührt, E.; Küppers, M.; Lara, L.; Lazzarin, M.; Lopez Moreno, J. J.; Marzari, F.; Michalik, H.; Naletto, G.; Rickman, H.; Rodrigo, R.; Sabau, L.; Thomas, N.; Wenzel, K.-P.; Agarwal, J.; Bertini, I.; Ferri, F.; Güttler, C.; Magrin, S.; Oklay, N.; Tubiana, C.; Vincent, J.-B.
2014-09-01
Aims: Approach observations with the Optical, Spectroscopic, and Infrared Remote Imaging System (OSIRIS) experiment onboard Rosetta are used to determine the rotation period, the direction of the spin axis, and the state of rotation of comet 67P's nucleus. Methods: Photometric time series of 67P have been acquired by OSIRIS since the post wake-up commissioning of the payload in March 2014. Fourier analysis and convex shape inversion methods have been applied to the Rosetta data as well to the available ground-based observations. Results: Evidence is found that the rotation rate of 67P has significantly changed near the time of its 2009 perihelion passage, probably due to sublimation-induced torque. We find that the sidereal rotation periods P1 = 12.76129 ± 0.00005 h and P2 = 12.4043 ± 0.0007 h for the apparitions before and after the 2009 perihelion, respectively, provide the best fit to the observations. No signs of multiple periodicity are found in the light curves down to the noise level, which implies that the comet is presently in a simple rotation state around its axis of largest moment of inertia. We derive a prograde rotation model with spin vector J2000 ecliptic coordinates λ = 65° ± 15°, β = + 59° ± 15°, corresponding to equatorial coordinates RA = 22°, Dec = + 76°. However, we find that the mirror solution, also prograde, at λ = 275° ± 15°, β = + 50° ± 15° (or RA = 274°, Dec = + 27°), is also possible at the same confidence level, due to the intrinsic ambiguity of the photometric problem for observations performed close to the ecliptic plane. Table 1 is available in electronic form at http://www.aanda.org
Commins, Patrick; Garcia-Garibay, Miguel A
2014-02-21
We describe the synthesis, characterization, photochemical isomerization, and rotational dynamics of a crystalline molecular gyroscope containing an azobenzene bridge (trans-2) that spans from one end of the stator to other, with the intention of exploring its function as a molecular brake. While single crystal X-ray diffraction analysis of a photochemically inactive dichloromethane solvate was used to confirm the molecular and packing structures of trans-2, a nanocrystalline pseudopolymorph was shown to be photoactive, and it was analyzed by powder X-ray diffraction (PXRD), scanning electron microscopy, and variable temperature solid state (2)H NMR before and after photoisomerization. It was shown that the nanocrystalline suspension irradiated with λ = 340 nm reaches a photostationary state with 34% of cis-isomer, as compared to that observed in solution where the corresponding value is 74%. Line shape analysis of solid state (2)H NMR spectra of a phenylene-d4 isotopologue, obtained as a function of temperature, indicated that rotation in crystals of the trans-2 isomer, with a mean activation energy of 4.6 ± 0.6 kcal/mol and a pre-exponential factor exp(29.4 ± 1.7), is ten times faster than that of samples containing the cis-2 isomer, which has a higher mean activation energy of 5.1 ± 0.6 kcal/mol and a lower pre-exponential factor of exp(27.9 ± 1.3). PMID:24428572
Commins, Patrick; Garcia-Garibay, Miguel A
2014-02-21
We describe the synthesis, characterization, photochemical isomerization, and rotational dynamics of a crystalline molecular gyroscope containing an azobenzene bridge (trans-2) that spans from one end of the stator to other, with the intention of exploring its function as a molecular brake. While single crystal X-ray diffraction analysis of a photochemically inactive dichloromethane solvate was used to confirm the molecular and packing structures of trans-2, a nanocrystalline pseudopolymorph was shown to be photoactive, and it was analyzed by powder X-ray diffraction (PXRD), scanning electron microscopy, and variable temperature solid state (2)H NMR before and after photoisomerization. It was shown that the nanocrystalline suspension irradiated with λ = 340 nm reaches a photostationary state with 34% of cis-isomer, as compared to that observed in solution where the corresponding value is 74%. Line shape analysis of solid state (2)H NMR spectra of a phenylene-d4 isotopologue, obtained as a function of temperature, indicated that rotation in crystals of the trans-2 isomer, with a mean activation energy of 4.6 ± 0.6 kcal/mol and a pre-exponential factor exp(29.4 ± 1.7), is ten times faster than that of samples containing the cis-2 isomer, which has a higher mean activation energy of 5.1 ± 0.6 kcal/mol and a lower pre-exponential factor of exp(27.9 ± 1.3).
Photoionization of potassium atoms from the ground and excited states
Zatsarinny, O.; Tayal, S. S.
2010-04-15
The Dirac-based B-spline R-matrix method is used to investigate the photoionization of atomic potassium from the 4s ground and 4p, 5s-7s, 3d-5d excited states. The effect of the core polarization by the outer electron is included through the polarized pseudostates. Besides the dipole core polarization, we also found a noticeable influence of the quadrupole core polarization. We obtained excellent agreement with experiment for cross sections of the 4s photoionization, including accurate description of the near-threshold Cooper-Seaton minimum. We also obtained close agreement with experiment for the 4p photoionization, but there are unexpectedly large discrepancies with available experimental data for photoionization of the 5d and 7s excited states.
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.
The valence-fluctuating ground state of plutonium
Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; et al
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
Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers
Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di
2015-06-16
Layered transition-metal trichalcogenides with the chemical formula ABX_{3} have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides.We show that the second and third nearest-neighbor exchange interactions (J_{2} and J_{3}) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer CrSiTe_{3} is an antiferromagnet with a zigzag spin texture due to significant contribution from J_{3}, whereas CrGeTe_{3} is a ferromagnet with a Curie temperature of 106 K. Monolayers of Mn compounds (MnPS_{3} and MnPSe_{3}) always show antiferromagnetic N eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. In conclusion, our study suggests that ABX_{3} can be a promising platform to explore two-dimensional magnetic phenomena.
Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers
Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di
2015-06-16
Layered transition-metal trichalcogenides with the chemical formula ABX3 have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides.We show that the second and third nearest-neighbor exchange interactions (J2 and J3) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer CrSiTe3 is an antiferromagnet with a zigzag spin texture due to significant contribution from J3, whereas CrGeTe3 is a ferromagnet with a Curie temperaturemore » of 106 K. Monolayers of Mn compounds (MnPS3 and MnPSe3) always show antiferromagnetic N eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. In conclusion, our study suggests that ABX3 can be a promising platform to explore two-dimensional magnetic phenomena.« less
Au42: a possible ground-state noble metallic nanotube.
Wang, Jing; Ning, Hua; Ma, Qing-Min; Liu, Ying; Li, You-Cheng
2008-10-01
A large hollow tubelike Au(42) is predicted as a new ground-state configuration based on the scalar relativistic density functional theory. The shape of this new Au(42) cluster is similar to a (5,5) single-wall gold nanotube, the two ends of which are capped by half of a fullerenelike Au(32). In the same way, a series of Au(n) (n = 37, 42, 47, 52, 57, 62, 67, 72, ..., Delta n = 5) tubelike structures has been constructed. The highest occupied molecular orbital-lowest unoccupied molecular orbital gaps suggested a significant semiconductor-conductor alternation in n is an element of [32,47]. Similar to the predictions and speculation of Daedalus [D. E. H. Jones, New Sci. 32, 245 (1966); E. Osawa, Superaromaticity (Kagaku, Kyoto, 1970), Vol. 25, pp. 854-863; Z. Yoshida and E. Osawa, Aromaticity Chemical Monograph (Kagaku Dojin, Kyoto, Japan, 1971), Vol. 22, pp. 174-176; D. A. Bochvar and E. G. Gal'pern, Dokl. Akad. Nauk SSSR 209, 610 (1973)], here a large hollow ground-state gold nanotube was predicted theoretically. PMID:19045114
Au42: A possible ground-state noble metallic nanotube
NASA Astrophysics Data System (ADS)
Wang, Jing; Ning, Hua; Ma, Qing-Min; Liu, Ying; Li, You-Cheng
2008-10-01
A large hollow tubelike Au42 is predicted as a new ground-state configuration based on the scalar relativistic density functional theory. The shape of this new Au42 cluster is similar to a (5,5) single-wall gold nanotube, the two ends of which are capped by half of a fullerenelike Au32. In the same way, a series of Aun (n =37,42,47,52,57,62,67,72,…, Δn =5) tubelike structures has been constructed. The highest occupied molecular orbital-lowest unoccupied molecular orbital gaps suggested a significant semiconductor-conductor alternation in n ɛ[32,47]. Similar to the predictions and speculation of Daedalus [D. E. H. Jones, New Sci. 32, 245 (1966); E. Osawa, Superaromaticity (Kagaku, Kyoto, 1970), Vol. 25, pp. 854-863; Z. Yoshida and E. Osawa, Aromaticity Chemical Monograph (Kagaku Dojin, Kyoto, Japan, 1971), Vol. 22, pp. 174-176; D. A. Bochvar and E. G. Gal'pern, Dokl. Akad. Nauk SSSR 209, 610 (1973)], here a large hollow ground-state gold nanotube was predicted theoretically.
Sekiya, Mizuki; Hosokawa, Hiroyuki; Nakanishi-Matsui, Mayumi; Al-Shawi, Marwan K.; Nakamoto, Robert K.; Futai, Masamitsu
2010-01-01
ATP hydrolysis-dependent rotation of the F1 sector of the ATP synthase is a successive cycle of catalytic dwells (∼0.2 ms at 24 °C) and 120° rotation steps (∼0.6 ms) when observed under Vmax conditions using a low viscous drag 60-nm bead attached to the γ subunit (Sekiya, M., Nakamoto, R. K., Al-Shawi, M. K., Nakanishi-Matsui, M., and Futai, M. (2009) J. Biol. Chem. 284, 22401–22410). During the normal course of observation, the γ subunit pauses in a stochastic manner to a catalytically inhibited state that averages ∼1 s in duration. The rotation behavior with adenosine 5′-O-(3-thiotriphosphate) as the substrate or at a low ATP concentration (4 μm) indicates that the rotation is inhibited at the catalytic dwell when the bound ATP undergoes reversible hydrolysis/synthesis. The temperature dependence of rotation shows that F1 requires ∼2-fold higher activation energy for the transition from the active to the inhibited state compared with that for normal steady-state rotation during the active state. Addition of superstoichiometric ϵ subunit, the inhibitor of F1-ATPase, decreases the rotation rate and at the same time increases the duration time of the inhibited state. Arrhenius analysis shows that the ϵ subunit has little effect on the transition between active and inhibited states. Rather, the ϵ subunit confers lower activation energy of steady-state rotation. These results suggest that the ϵ subunit plays a role in guiding the enzyme through the proper and efficient catalytic and transport rotational pathway but does not influence the transition to the inhibited state. PMID:20974856
Lifetimes of superdeformed rotational states in {sup 36}Ar.
Svensson, C. E.; Macchiavelli, A. O.; Juodagalvis, A.; Poves, A.; Ragnarsson, I.; Aberg, S.; Appelbe, D. E.; Austin, R. A. E.; Ball, G. C.; Carpenter, M. P.; Caurier, E.; Clark, R. M.; Cromaz, M.; Deleplanque, M. A.; Diamond, R. M.; Fallon, P.; Janssens, R. V. F.; Lane, G. J.; Lee, I. Y.; Nowacki, F.; Sarantites, D. G.; Stephens, F. S.; Vetter, K.; Ward, D.; Physics; LBNL; Lund Inst. of Tech.; Univ. Autonoma de Madrid; McMaster Univ.; TRIUMF; Univ. Louis Pasteur; Washington Univ.
2001-06-01
Lifetimes have been measured in a superdeformed rotational band recently identified in the N=Z nucleus {sup 36}Ar. A large low-spin quadrupole deformation ({beta}{sub 2}=0.46{+-}0.03) is confirmed and a decrease in the collectivity is observed as the high-spin band termination at I{sup {pi}}=16{sup +} is approached. Detailed comparisons of the experimental B(E2) values with the results of cranked Nilsson-Strutinsky and large-scale (s{sub 1/2}d{sub 3/2})-pf spherical shell model calculations indicate the need for a more refined treatment of transition matrix elements close to termination in the former, and the inclusion of the complete sd-pf model space in the latter description of this highly-collective rotational band.
Analytic continuation of the rotating black hole state counting
NASA Astrophysics Data System (ADS)
Achour, Jibril Ben; Noui, Karim; Perez, Alejandro
2016-08-01
In loop quantum gravity, a spherical black hole can be described in terms of a Chern-Simons theory on a punctured 2-sphere. The sphere represents the horizon. The punctures are the edges of spin-networks in the bulk which cross the horizon and carry quanta of area. One can generalize this construction and model a rotating black hole by adding an extra puncture colored with the angular momentum J in the 2-sphere. We compute the entropy of rotating black holes in this model and study its semi-classical limit. After performing an analytic continuation which sends the Barbero-Immirzi parameter to γ = ± i,weshowthattheleadingorderterminthesemi-classicalexpansionoftheentropy reproduces the Bekenstein-Hawking law independently of the value of J.
Equation of State Dependence of Gravitational Waves from Rapidly Rotating Core-Collapse
NASA Astrophysics Data System (ADS)
Richers, Sherwood; Ott, Christian D.; Abdikamalov, Ernazar
2016-03-01
We carry out axisymmetric simulations of rotating core-collapse, exploring over 92 precollapse rotational configurations and 18 different finite-temperature microphysical equations of state (EOS) using the general-relativistic hydrodynamical code CoCoNuT. Our focus is on gravitational wave (GW) emission. We find that the GW wave signature depends systematically on the rotation rate of the inner core at bounce and the compactness of the protoneutron star (PNS), set by the EOS and rotation. The GW signal from core bounce is almost independent of the EOS. However, the frequency of the post-bounce ring down signal from the fundamental quadrupole oscillation mode of the PNS is dependent on both rotation and the EOS, increasing with rotation rate and compactness. We will discuss the origin of the EOS-dependent f-mode frequency variation and its potential observability with Advanced LIGO.
Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Nakajima, Masakazu; Endo, Yasuki
2015-12-28
We observed microwave absorption spectra of some deuterated benzenes and accurately determined the rotational constants of all H/D isotopomers in the ground vibrational state. Using synthetic analysis assuming that all bond angles are 120°, the mean bond lengths were obtained to be r{sub 0}(C–C) = 1.3971 Å and r{sub 0}(C–H) = r{sub 0}(C–D) = 1.0805 Å. It has been concluded that the effect of deuterium substitution on the molecular structure is negligibly small and that the mean bond lengths of C–H and C–D are identical unlike small aliphatic hydrocarbons, in which r{sub 0}(C–D) is about 5 mÅ shorter than r{sub 0}(C–H). It is considered that anharmonicity is very small in the C–H stretching vibration of aromatic hydrocarbons.
Stability of quantum-dot excited-state laser emission under simultaneous ground-state perturbation
Kaptan, Y. Herzog, B.; Schöps, O.; Kolarczik, M.; Woggon, U.; Owschimikow, N.; Röhm, A.; Lingnau, B.; Lüdge, K.; Schmeckebier, H.; Arsenijević, D.; Bimberg, D.; Mikhelashvili, V.; Eisenstein, G.
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 observed 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.
Quantum mechanical forces in the presence of spin and rotational states of nanomagnets
NASA Astrophysics Data System (ADS)
Kim, Gwang-Hee
We study nanomagnets that are free to rotate about their anisotropy and display quantum mechanical forces originated from quantum tunneling between classically degenerate magnetic states. Employing superpositions of spin and rotational states, we show that such forces can exist in the presence of a microwave field and a static magnetic field with a gradient. The optimal conditions for the observation of the oscillating force with quantum beats are presented.
NASA Astrophysics Data System (ADS)
Bird, Ryan G.; Pratt, David W.; Neill, Justin L.; Pate, Brooks H.
2010-06-01
Previous studies of 4-fluorobenzyl alcohol (4FBA) in the gas phase have revealed the existence of tunneling splittings in its high resolution electronic spectrum. These could be attributed either to the ground S0 state, or the excited S1 state, or both. Motivated by this finding, we report here a study of the CP-FTMW spectrum of 4FBA. Its pure rotational spectrum was collected using a series of 250 MHz chirped pulses, over the frequency range of 6.5-18 GHz. Analysis of this data shows that 4FBA has a gauche structure and yields the V2 barrier for CH2OH torsion, from which the predicted tunneling splittings in the ground state have been extracted.
Liu Zhao; Guo Hongli; Fan Heng; Vedral, Vlatko
2011-01-15
We use entanglement to investigate the transition from vortex-liquid phase to vortex-lattice phase in a weakly interacting rotating Bose-Einstein condensate. For the torus geometry, the ground-state entanglement spectrum is analyzed to distinguish these two phases. The low-lying part of the ground-state entanglement spectrum, as well as the behavior of its lowest level, changes clearly when the transition occurs. For the sphere geometry, the entanglement gap in the conformal limit is also studied. We also show that the decrease in entanglement between particles can be regarded as a signal of the transition.
Nuclear ground state charge radii from electromagnetic interactions
Frickle, G.; Bernhardt, C.; Heilig, K.
1995-07-01
The Tables summarize experimental results from muonic atom transition energies, nuclear charge parameters from elastic electron scattering, and K x-ray isotope shifts in so far as they provide information on nuclear ground-state charge radii. Numerous experimental results for optical isotope shifts have been published elsewhere; for eight elements the relevant information is condensed ({open_quotes}project{close_quotes}) here to one optical line per element. A model-independent analysis which combines data from all three experimental methods is applied to these elements and is presented as an illustration of the improved accuracy for the rms radii and Barrett radii which result from this analysis. 51 refs., 11 figs, 1 tab.
Ground state magnetic dipole moment of {sup 35}K
Mertzimekis, T.J.; Mantica, P.F.; Liddick, S.N.; Tomlin, B.E.; Davies, A.D.
2006-02-15
The ground state magnetic moment of {sup 35}K has been measured using the technique of nuclear magnetic resonance on {beta}-emitting nuclei. The short-lived {sup 35}K nuclei were produced following the reaction of a {sup 36}Ar primary beam of energy 150 MeV/nucleon incident on a Be target. The spin polarization of the {sup 35}K nuclei produced at 2 deg. relative to the normal primary beam axis was confirmed. Together with the mirror nucleus {sup 35}S, the measurement represents the heaviest T=3/2 mirror pair for which the spin expectation value has been obtained. A linear behavior of g{sub p} vs g{sub n} has been demonstrated for the T=3/2 known mirror moments and the slope and intercept are consistent with the previous analysis of T=1/2 mirror pairs.
Antiferromagnetic Spin-S Chains with Exactly Dimerized Ground States
NASA Astrophysics Data System (ADS)
Michaud, Frédéric; Vernay, François; Manmana, Salvatore R.; Mila, Frédéric
2012-03-01
We show that spin S Heisenberg spin chains with an additional three-body interaction of the form (Si-1·Si)(Si·Si+1)+H.c. possess fully dimerized ground states if the ratio of the three-body interaction to the bilinear one is equal to 1/[4S(S+1)-2]. This result generalizes the Majumdar-Ghosh point of the J1-J2 chain, to which the present model reduces for S=1/2. For S=1, we use the density matrix renormalization group method to show that the transition between the Haldane and the dimerized phases is continuous with a central charge c=3/2. Finally, we show that such a three-body interaction appears naturally in a strong-coupling expansion of the Hubbard model, and we discuss the consequences for the dimerization of actual antiferromagnetic chains.
Cloning and Variation of Ground State Intestinal Stem Cells
Wang, Xia; Yamamoto, Yusuke; Wilson, Lane H.; Zhang, Ting; Howitt, Brooke; Farrow, Melissa A.; Kern, Florian; Ning, Gang; Hong, Yue; Khor, Chiea Chuen; Chevalier, Benoit; Bertrand, Denis; Wu, Lingyan; Nagarajan, Niranjan; Sylvester, Francisco A.; Hyams, Jeffrey S.; Devers, Thomas; Bronson, Roderick; Lacy, D. Borden; Ho, Khek Yu; Crum, Christopher P.; McKeon, Frank; Xian, Wa
2016-01-01
Summary Stem cells of the gastrointestinal tract, pancreas, liver, and other columnar epithelia collectively resist cloning in their elemental states. Here we demonstrate the cloning and propagation of highly clonogenic, “ground state” stem cells of the human intestine and colon. We show that derived stem cell pedigrees sustain limited copy number and sequence variation despite extensive serial passaging and display exquisitely precise, cell-autonomous commitment to epithelial differentiation consistent with their origins along the intestinal tract. This developmentally patterned and epigenetically maintained commitment of stem cells likely enforces the functional specificity of the adult intestinal tract. Using clonally-derived colonic epithelia, we show that toxins A or B of the enteric pathogen C. difficile recapitulate the salient features of pseudomembranous colitis. The stability of the epigenetic commitment programs of these stem cells, coupled with their unlimited replicative expansion and maintained clonogenicity, suggests certain advantages for their use in disease modeling and regenerative medicine. PMID:26040716
Unresolved Question of the He10 Ground State Resonance
NASA Astrophysics Data System (ADS)
Kohley, Z.; Snyder, J.; Baumann, T.; Christian, G.; DeYoung, P. A.; Finck, J. E.; Haring-Kaye, R. A.; Jones, M.; Lunderberg, E.; Luther, B.; Mosby, S.; Simon, A.; Smith, J. K.; Spyrou, A.; Stephenson, S. L.; Thoennessen, M.
2012-12-01
The ground state of He10 was populated using a 2p2n-removal reaction from a 59MeV/u Be14 beam. The decay energy of the three-body system, He8+n+n, was measured and a resonance was observed at E=1.60(25)MeV with a 1.8(4) MeV width. This result is in agreement with previous invariant mass spectroscopy measurements, using the Li11(-p) reaction, but is inconsistent with recent transfer reaction results. The proposed explanation that the difference, about 500 keV, is due to the effect of the extended halo nature of Li11 in the one-proton knockout reaction is no longer valid as the present work demonstrates that the discrepancy between the transfer reaction results persists despite using a very different reaction mechanism, Be14(-2p2n).
Absence of Quantum Time Crystals in Ground States
NASA Astrophysics Data System (ADS)
Watanabe, Haruki; Oshikawa, Masaki
2015-03-01
In analogy with crystalline solids around us, Wilczek recently proposed the idea of ``time crystals'' as phases that spontaneously break the continuous time translation into a discrete subgroup. The proposal stimulated further studies and vigorous debates whether it can be realized in a physical system. However, a precise definition of the time crystal is needed to resolve the issue. Here we first present a definition of time crystals based on the time-dependent correlation functions of the order parameter. We then prove a no-go theorem that rules out the possibility of time crystals defined as such, in the ground state of a general Hamiltonian which consists of only short-range interactions.
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.
NASA Astrophysics Data System (ADS)
Mullin, Amy S.; Park, Jeunghee; Chou, James Z.; Flynn, George W.; Weston, Ralph E.
1993-09-01
The collisional quenching of highly vibrationally excited pyrazine by CO2 molecules has been studied with high resolution diode laser spectroscopy. The vibrationally hot pyrazine molecules are formed by 248 nm excimer laser pumping, followed by rapid radiationless transitions to the ground electronic state. The nascent rotational population distributions in the 0000 and 0001 vibrational levels of CO2 produced by collisions with hot pyrazine were probed at short times following excitation of pyrazine by the excimer laser pulse. In addition, the CO2 translational recoil velocity was measured for a number of rotational levels in each vibrational state. The results of these experiments reveal that very little rotational and translational excitation accompanies the energy transfer from hot pyrazine to excited vibrational levels of CO2. In contrast, rotational excitation of the CO2 ground state due to collisions with highly excited pyrazine is significant and is accompanied by a substantial enhancement in the CO2 translational energy. These results are consistent with a picture in which vibration-vibration (V → V) energy transfer processes, leading to vibrational excitation of the bath, are dominated by long range attractive forces, and vibration-translation/rotation (V → T/R) energy transfer, which leaves the bath vibrations unexcited, is dominated by short range repulsive forces.
NASA Astrophysics Data System (ADS)
Lu, Yongchuan; Wang, Chen
2016-07-01
We investigate the ground-state behavior of the Dicke-Hubbard model including counter-rotating terms. By generalizing an extended coherent-state approach within mean-field theory, we self-consistently obtain the ground-state energy and delocalized order parameter. Localization-delocalization quantum phase transition of photons is clearly observed by breaking the parity symmetry. Particularly, Mott lobes are fully suppressed, and the delocalized order parameter shows monotonic enhancement by increasing qubit-cavity coupling strength, in sharp contrast to the Dicke-Hubbard model under rotating-wave approximation. Moreover, the corresponding phase boundaries are stabilized by decreasing photon hopping strength, compared to the Rabi-Hubbard model.
NASA Astrophysics Data System (ADS)
Lu, Yongchuan; Wang, Chen
2016-10-01
We investigate the ground-state behavior of the Dicke-Hubbard model including counter-rotating terms. By generalizing an extended coherent-state approach within mean-field theory, we self-consistently obtain the ground-state energy and delocalized order parameter. Localization-delocalization quantum phase transition of photons is clearly observed by breaking the parity symmetry. Particularly, Mott lobes are fully suppressed, and the delocalized order parameter shows monotonic enhancement by increasing qubit-cavity coupling strength, in sharp contrast to the Dicke-Hubbard model under rotating-wave approximation. Moreover, the corresponding phase boundaries are stabilized by decreasing photon hopping strength, compared to the Rabi-Hubbard model.
NASA Astrophysics Data System (ADS)
Kuznetsova, Elena; Rittenhouse, Seth T.; Sadeghpour, H. R.; Yelin, Susanne F.
2016-09-01
We analyze the possibility to exploit charge-dipole interaction between a single polar molecule or a one-dimensional (1D) molecular array and a single Rydberg atom to read out molecular rotational populations. We calculate the energy shift of a single Rb (60 s ) atom interacting with a single KRb or RbYb molecule in their lowest two rotational states. At atom-molecule distances, relevant to trapping of molecules in optical lattices, the Rydberg electron energy shifts conditioned on the rotational states, are of the order of several MHz. Atom excitation to a Rydberg state and detection of atomic fluorescence conditioned on a rotational state preserves the molecule, making our scheme a nondestructive measurement of the rotational state. Similarly, a 1D array of polar molecules can shift the electron energy of a blockaded Rydberg superatom. We consider a scheme to read out the molecular array collective rotational states using the conditioned Rydberg energy shifts, and numerically analyze a system with three and five KRb or RbYb molecules interacting with Rb (60 s ) superatom.
Realization of Ground State Artificial Skyrmion Lattices at Room Temperature
NASA Astrophysics Data System (ADS)
Gilbert, Dustin A.; Maranville, Brian B.; Balk, Andrew J.; Kirby, Brian J.; Pierce, Daniel T.; Unguris, John; Borchers, Julie A.; Fischer, Peter; Liu, Kai
Artificial skyrmion lattices stable at ambient conditions offer a convenient and powerful platform to explore skyrmion physics and topological phenomena and motivates their inclusion in next-generation data and logic devices. In this work we present direct experimental evidence of artificial skyrmion lattices with a stable ground state at room temperature. Our approach is to pattern vortex-state Co nanodots (560 nm diameter) in hexagonal arrays on top of a Co/Pd multilayer with perpendicular magnetic anisotropy; the skyrmion state is prepared using a specific magnetic field sequence. Ion irradiation has been employed to suppress PMA in the underlayer and allow imprinting of the vortex structure from the nanodots to form skyrmion lattices, as revealed by polarized neutron reflectometry. Circularity control is realized through Co dot shape asymmetry, and confirmed by microscopy and FORC magnetometry. The vortex polarity is set during the field sequence and confirmed by magnetometry. Spin-transport studies further demonstrate a sensitivity to the skyrmion spin texture.Work supported by NSF (DMR-1008791, ECCS-1232275 and DMR-1543582)
NASA Technical Reports Server (NTRS)
Vanderhoff, J. W.; El-Aasser, M. S.
1987-01-01
The objectives of this program are to apply ground-based emulsion polymerization reactor technology to improve the production of: monodisperse latex particles for calibration standards, chromatographic separation column packing, and medical research; and commercial latexes such as those used for coatings, foams, and adhesives.
Gamiz-Hernandez, Ana P; Magomedov, Artiom; Hummer, Gerhard; Kaila, Ville R I
2015-02-12
Proton-coupled electron transfer (PCET) processes are elementary chemical reactions involved in a broad range of radical and redox reactions. Elucidating fundamental PCET reaction mechanisms are thus of central importance for chemical and biochemical research. Here we use quantum chemical density functional theory (DFT), time-dependent density functional theory (TDDFT), and the algebraic diagrammatic-construction through second-order (ADC(2)) to study the mechanism, thermodynamic driving force effects, and reaction barriers of both ground state proton transfer (pT) and photoinduced proton-coupled electron transfer (PCET) between nitrosylated phenyl-phenol compounds and hydrogen-bonded t-butylamine as an external base. We show that the obtained reaction barriers for the ground state pT reactions depend linearly on the thermodynamic driving force, with a Brønsted slope of 1 or 0. Photoexcitation leads to a PCET reaction, for which we find that the excited state reaction barrier depends on the thermodynamic driving force with a Brønsted slope of 1/2. To support the mechanistic picture arising from the static potential energy surfaces, we perform additional molecular dynamics simulations on the excited state energy surface, in which we observe a spontaneous PCET between the donor and the acceptor groups. Our findings suggest that a Brønsted analysis may distinguish the ground state pT and excited state PCET processes.
Periodicity Signatures of Lightcurves of Active Comets in Non-Principal-Axis Rotational States
NASA Astrophysics Data System (ADS)
Samarasinha, Nalin H.; Mueller, Beatrice E. A.; Barrera, Jose G.
2016-10-01
There are two comets (1P/Halley, 103P/Hartley 2) that are unambiguously in non-principal-axis (NPA) rotational states in addition to a few more comets that are candidates for NPA rotation. Considering this fact, and the ambiguities associated with how to accurately interpret the periodicity signatures seen in lightcurves of active comets, we have started an investigation to identify and characterize the periodicity signatures present in simulated lightcurves of active comets. We carried out aperture photometry of simulated cometary comae to generate model lightcurves and analyzed them with Fourier techniques to identify their periodicity signatures. These signatures were then compared with the input component periods of the respective NPA rotational states facilitating the identification of how these periodicity signatures are related to different component periods of the NPA rotation. Ultimately, we also expect this study to shed light on why only a small fraction of periodic comets is in NPA rotational states, whereas theory indicates a large fraction of them should be in NPA states (e.g., Jewitt 1999, EMP, 79, 35). We explore the parameter space with respect to different rotational states, different orientations for the total rotational angular momentum vector, and different locations on the nucleus for the source region(s). As for special cases, we also investigate potential NPA rotational states representative of comet 103P/Hartley2, the cometary target of the EPOXI mission. The initial results from our investigation will be presented at the meeting. The NASA DDAP Program supports this work through grant NNX15AL66G.
Antiferromagnetic ground state in NpCoGe
NASA Astrophysics Data System (ADS)
Colineau, E.; Griveau, J.-C.; Eloirdi, R.; Gaczyński, P.; Khmelevskyi, S.; Shick, A. B.; Caciuffo, R.
2014-03-01
NpCoGe, the neptunium analog of the ferromagnetic superconductor UCoGe, has been investigated by dc magnetization, ac susceptibility, specific heat, electrical resistivity, Hall effect, 237Np Mössbauer spectroscopy, and local spin-density approximation (LSDA) calculations. NpCoGe exhibits an antiferromagnetic ground state with a Néel temperature TN≈13 K and an average ordered magnetic moment <μNp>=0.80μB. The magnetic phase diagram has been determined and shows that the antiferromagnetic structure is destroyed by the application of a magnetic field (≈3 T). The value of the isomer shift suggests a Np3+ charge state (configuration 5f4). A high Sommerfeld coefficient value for NpCoGe (170 mJ mol-1 K-2) is inferred from specific heat. LSDA calculations indicate strong magnetic anisotropy and easy magnetization along the c axis. Mössbauer data and calculated exchange interactions support the possible occurrence of an elliptical spin-spiral structure in NpCoGe. The comparison with NpRhGe and uranium analogs suggests the leading role of 5f-d hybridization, the rather delocalized character of 5f electrons in NpCoGe, and the possible proximity of NpRuGe or NpFeGe to a magnetic quantum critical point.
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.
NASA Technical Reports Server (NTRS)
Parusel, A. B.; Pohorille, A.
2001-01-01
The electronic ground and first excited states of retinal and its Schiff base are optimized for the first time using the semiempirical AM1 Hamiltonian. The barrier for rotation about the C(11)-C(12) double bond is characterized by variation of both the twist angle delta(C(10)-C(11)-C(12)-C(13)) and the bond length d(C(11)-C(12)). The potential energy surface is obtained by varying these two parameters. The calculated ground state rotational barrier is equal to 15.6 kcal/mol for retinal and 20.5 kcal/mol for its Schiff base. The all-trans conformation is more stable by 3.7 kcal/mol than the 11-cis geometry. For the first excited state, S(1,) the 90 degrees twisted geometry represents a saddle point for retinal with the rotational barrier of 14.6 kcal/mol. In contrast, this conformation is an energy minimum for the Schiff base. It can be easily reached at room temperature from the planar minima since it is separated from them by a barrier of only 0.6 kcal/mol. The 90 degrees minimum conformation is more stable than the all-trans by 8.6 kcal/mol. We are thus able to present a reaction path on the S(1) surface of the retinal Schiff base with an almost barrier-less geometrical relaxation into a twisted minimum geometry, as observed experimentally. The character of the ground and first excited singlet states underscores the need for the inclusion of double excitations in the calculations.
Identification of the nu-2 vibration-rotation band of ammonia in ground level solar spectra
NASA Technical Reports Server (NTRS)
Murcray, D. G.; Goldman, A.; Bradford, C. M.; Cook, G. R.; Van Allen, J. W.; Bonomo, F. S.; Murcray, F. H.
1978-01-01
Comparison of infrared solar spectra in the 750 to 950 kayser region obtained during sunrise and sunset shows that a number of features due to the nu-2 NH3 band are present on the sunset spectra but are indicated by only a trace on the sunrise spectra. The sunset path shows approximately 0.007 atm-cm NH3, and the reason for the discrepancy between sunrise and sunset spectra is not known. The ground-based measurements at Denver were obtained with a 0.06 kayser resolution.
The rotational spectrum of the NiI radical in the X 2Delta(5/2) and A 2Pi(3/2) states.
Miyazawa, Toru; Okabayashi, Emi Y; Koto, Fumi; Tanimoto, Mitsutoshi; Okabayashi, Toshiaki
2006-06-14
The millimeter- and submillimeter-wave spectra of the NiI radical in the X (2)Delta(5/2) and A (2)Pi(3/2) states were observed by a source-modulated microwave spectrometer. The NiI radical was generated by a dc glow discharge in the mixture of CH(3)I vapor and Ar gas through the sputtering reaction with a Ni cathode. Observed transition frequencies for each electronic state were independently analyzed using a polynomial energy expression based on Hund's case (c) approximation. The deperturbed rotational constants were also estimated by the perturbation analysis including interaction terms between the ground state and the lowest excited state.
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
Rotating horizontal ground reaction forces to the body path of progression.
Glaister, Brian C; Orendurff, Michael S; Schoen, Jason A; Klute, Glenn K
2007-01-01
When studying the biomechanics of a transient turn, the orientation of the body will change relative to the orientation of the force plates over the progression of the turn. To express ground reaction forces relative to the body, this study investigated possible origin locations and axis alignments of body reference frames. The gait patterns of 10 subjects were recorded as subjects negotiated a 90 degrees hallway corner. Body reference frames were chosen whose origins were the center of mass (COM) and the pelvis origin (PEL). A finite-difference method was used to align the axes of the reference frames according to the horizontal paths of the COM and PEL. The ground reaction impulses (GRIs) were calculated relative to the COM and PEL reference frames. GRI differences were small between the PEL and COM frames, suggesting that either is acceptable for turning studies. Based on an investigation of finite-difference parameters, the COM frame should be used when using a kinematic sampling rate of 60 Hz. Either frame is acceptable when sampling at higher rates. PMID:17597134
NASA Astrophysics Data System (ADS)
Holdaway, J.; Igel, H.; Savage, M. K.; Townend, J.; Wells, J.; Hurst, R.; Syracuse, E. M.; Thurber, C. H.; Graham, R.
2012-12-01
With the development of high sensitivity ring lasers it has become possible to measure directly the rotational ground motions produced by earthquakes for a wide range of magnitudes and epicentral distances. The UG3 ring laser located near Christchurch, New Zealand is the largest currently existing in the world, measuring 76.9 m in perimeter and horizontally orientated in an underground cavern. It operates with a He-Ne gas mix at 632.8 nm, measuring rotations relative to inertial space by observing frequency differences between oppositely directed beams, which directly relate to rotational velocity (RV) from the Sagnac effect. Our measurements of RV from multiple teleseismic events at UG3 show a similar consistency and overall behaviour to past observations made with the G ring laser in Wettzell, Germany. Instrument response-corrected transverse accelerations (TA) from a co-located seismometer show an excellent fit with RV at periods of 20-120 s, and phase velocities derived from RV and TA match well with modelled values. Multiple passages of surface waves around the earth are clearly distinguished in the rotational data, an indication of the ring laser's sensitivity. Cross-correlations of TA and RV using sliding windows are consistent with expectations from elastic wave propagation, with a high degree of similarity evident especially during dominant SH motion - indicating that an assumption of plane-wave propagation is approximately correct. Significant correlations between RV and TA extending for 2500 s after the fundamental Love wave modes seem to indicate the presence of scattered SH waves or Love-Rayleigh wave coupling due to anisotropy. Regions of increased correlation between TA and RV are identified in the P coda, indicating rotational motions are present prior to the onset of direct SH motion and suggesting the possibility of P-SH scattering. Rotational ground motions have also been analysed for over 300 earthquakes of M2.0-4.5 following the M7.1 Darfield
New Ground-State Crystal Structure of Elemental Boron.
An, Qi; Reddy, K Madhav; Xie, Kelvin Y; Hemker, Kevin J; Goddard, William A
2016-08-19
Elemental boron exhibits many polymorphs in nature based mostly on an icosahedral shell motif, involving stabilization of 13 strong multicenter intraicosahedral bonds. It is commonly accepted that the most thermodynamic stable structure of elemental boron at atmospheric pressure is the β rhombohedral boron (β-B). Surprisingly, using high-resolution transmission electron microscopy, we found that pure boron powder contains grains of two different types, the previously identified β-B containing a number of randomly spaced twins and what appears to be a fully transformed twinlike structure. This fully transformed structure, denoted here as τ-B, is based on the Cmcm orthorhombic space group. Quantum mechanics predicts that the newly identified τ-B structure is 13.8 meV/B more stable than β-B. The τ-B structure allows 6% more charge transfer from B_{57} units to nearby B_{12} units, making the net charge 6% closer to the ideal expected from Wade's rules. Thus, we predict the τ-B structure to be the ground state structure for elemental boron at atmospheric pressure. PMID:27588864
New Ground-State Crystal Structure of Elemental Boron
NASA Astrophysics Data System (ADS)
An, Qi; Reddy, K. Madhav; Xie, Kelvin Y.; Hemker, Kevin J.; Goddard, William A.
2016-08-01
Elemental boron exhibits many polymorphs in nature based mostly on an icosahedral shell motif, involving stabilization of 13 strong multicenter intraicosahedral bonds. It is commonly accepted that the most thermodynamic stable structure of elemental boron at atmospheric pressure is the β rhombohedral boron (β -B ). Surprisingly, using high-resolution transmission electron microscopy, we found that pure boron powder contains grains of two different types, the previously identified β -B containing a number of randomly spaced twins and what appears to be a fully transformed twinlike structure. This fully transformed structure, denoted here as τ -B , is based on the C m c m orthorhombic space group. Quantum mechanics predicts that the newly identified τ -B structure is 13.8 meV /B more stable than β -B . The τ -B structure allows 6% more charge transfer from B57 units to nearby B12 units, making the net charge 6% closer to the ideal expected from Wade's rules. Thus, we predict the τ -B structure to be the ground state structure for elemental boron at atmospheric pressure.
Arsenic in Ground-Water Resources of the United States
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.
Rotationally Resolved Spectroscopy of the Electronically Excited C and D States of {XeKr} and {XeAr}
NASA Astrophysics Data System (ADS)
Piticco, Lorena; Schäfer, Martin; Merkt, Frédéric
2009-06-01
Informations on excited electronic states of the heteronuclear rare-gas dimers XeRg (Rg=Kr, Ar) available in the literature are limited to the vibrational structure of several band systems in the VUV range of the electromagnetic spectrum. Using a near-Fourier-transform-limited vacuum-ultraviolet laser system spectra of the C ← X and D ← X band systems of several isotopomers of XeKr and XeAr were recorded at high resolution in the wavenumber range from 77 000 cm^{-1} to 77 350 cm^{-1} by resonance-enhanced two-photon ionization spectroscopy. The rotational and vibrational structures of the C ← X and D ← X band systems could be fully resolved and assigned on the basis of isotopic shifts, combination differences and the ground state microwave spectra. The orbital hyperfine structure of the C1 state could be resolved for the ^{129}Xe^{40}Ar and ^{131}Xe^{40}Ar isotopomers. Potential energy functions and a full set of spectroscopic parameters were derived for the ground and excited states. D. M. Mao, X. K. Hu, S. S. Dimov, R. H. Lipson}, J. Phys. B 29, L89 (1996). O. Zehnder, F. Merkt, Mol. Phys. 106, 1215 (2008). KrXe+ O. Zehnder, F. Merkt, J. Chem. Phys. 128, 014306 (2008). ArXe+ U. Hollenstein, H. Palm and F. Merkt, Rev. Sci. Instr. 71, 4023 (2000). W. Jäger, Y. Xu, M. C. L. Gerry, J. Chem. Phys. 99, 919 (1993).
Molecular spectroscopy for ground-state transfer of ultracold RbCs molecules.
Debatin, Markus; Takekoshi, Tetsu; Rameshan, Raffael; Reichsöllner, Lukas; Ferlaino, Francesca; Grimm, Rudolf; Vexiau, Romain; Bouloufa, Nadia; Dulieu, Olivier; Nägerl, Hanns-Christoph
2011-11-14
We perform one- and two-photon high resolution spectroscopy on ultracold samples of RbCs Feshbach molecules with the aim to identify a suitable route for efficient ground-state transfer in the quantum-gas regime to produce quantum gases of dipolar RbCs ground-state molecules. One-photon loss spectroscopy allows us to probe deeply bound rovibrational levels of the mixed excited (A(1)Σ(+)-b(3)Π)0(+) molecular states. Two-photon dark state spectroscopy connects the initial Feshbach state to the rovibronic ground state. We determine the binding energy of the lowest rovibrational level |v'' = 0, J'' = 0> of the X(1)Σ(+) ground state to be D = 3811.5755(16) cm(-1), a 300-fold improvement in accuracy with respect to previous data. We are now in the position to perform stimulated two-photon Raman transfer to the rovibronic ground state. PMID:21853182
A ground state depleted laser in neodymium doped yttrium orthosilicate
Beach, R.; Albrecht, G.; Solarz, R.; Krupke, W.; Comaskey, B.; Mitchell, S.; Brandle, C.; Berkstresser, G.
1990-01-16
A ground state depleted (GSD){sup 1,2} laser has been demonstrated in the form of a Q-switched oscillator operating at 912 nm. Using Nd{sup 3+} as the active ion and Y{sub 2}SiO{sub 5} as the host material, the laser transition is from the lowest lying stark level of the Nd{sup 3t}F{sub 3/2} level to a stark level 355 cm{sup {minus}1} above the lowest lying one in the {sup 4}I{sub 9/2} manifold. The necessity of depleting the ground {sup 4}I{sub 9/2} manifold is evident for this level scheme as transparency requires a 10% inversion. To achieve the high excitation levels required for the efficient operation of this laser, bleach wave pumping using an alexandrite laser at 745 nm has been employed. The existence of a large absorption feature at 810 nm also allows for the possibility of AlGaAs laser diode pumping. Using KNbO{sub 3}, noncritical phase matching is possible at 140{degree}C using d{sub 32} and has been demonstrated. The results of Q-switched laser performance and harmonic generation in KNbO{sub 3} will be presented. Orthosilicate can be grown in large boules of excellent optical quality using a Czochralski technique. Because of the relatively small 912 nm emission cross section of 2-3 {times} 10{sup {minus}20} cm{sup 2} (orientation dependent) fluences of 10-20 J/cm{sup 2} must be circulated in the laser cavity for the efficient extraction of stored energy. This necessitates very aggressive laser damage thresholds. Results from the Reptile laser damage facility at Lawrence Livermore National Laboratory (LLNL) will be presented showing Y{sub 2}SiO{sub 5} bulk and AR sol-gel coated surface damage thresholds of greater than 40 J/cm{sup 2} for 10 nsec, 10 Hz, 1.06 {mu} pulses. 16 refs., 18 figs., 6 tabs.
Ground Water Quality Protection. State and Local Strategies.
ERIC Educational Resources Information Center
National Academy of Sciences - National Research Council, Washington, DC. Commission on Physical Sciences, Mathematics, and Resources.
Using regional case studies, this document examines representative programs for dealing with ground water contamination. Section one describes the ground water protection strategy of the U.S. Environmental Protection Agency (EPA); (2) discusses the limited data available for determining the extent of contamination; (3) provides a listing of the…
Derivation of novel human ground state naive pluripotent stem cells.
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
Ground state energy from the single trajectory propagation of the Schrödinger-Langevin equation
NASA Astrophysics Data System (ADS)
Chou, Chia-Chun
2015-07-01
The Schrödinger-Langevin equation is approximately solved for the ground state energy of quantum systems by propagating one single trajectory at a fixed point. Equations of motion for the amplitude of the wave function and the spatial derivatives of the complex action are derived through use of the derivative propagation method. The ground state energy is calculated from the amplitude of the wave function propagated along the single trajectory. Excellent ground state energies are obtained for the Morse potential, the strongly anharmonic potential, the coupled Morse oscillator-harmonic oscillator system, and the ground vibrational state of methyl iodide.
Comments on the Rotational State and Non-Gravitational Forces of Comet 46/WIRTANEN. Revised
NASA Technical Reports Server (NTRS)
Samarasinha, Nalin H.; Mueller, Beatrice E. A.; Belton, Michael J. S.
1995-01-01
We apply our experience of modeling the rotational state and non-gravitational forces of comet 1 P/Halley and other comets to comet 46P/Wirtanen. While the paucity of physical data on 46P/Wirtanen makes this process somewhat speculative, this comet's place as target for the important Rosetta mission gives significance to such a study. Our arguments are based on the summary of observational data provided by Jorda and Rickman (1995) and a comparative study of the behavior of other periodic comets. We find 46P/Wirtanen to have a level of surface activity relative to its mass that is dynamically more akin to that found in comet 1 P/Halley than in a typical periodic comet. We show through an illustrative numerical example that this apparent fact should likely lead to an excited spin state for this comet and that significant changes in the spin period could occur in a single pass through perihelion. We argue that the available observations are not sufficient to substantiate the claim of Jorda and Rickman (1995) that the nucleus is undergoing retrograde rotation and it is possible that the rotation is either prograde as well as retrograde. The substantial requirements that must be placed on any future observing program necessary to determine the precise rotational state are outlined. We advocate an extended (approx. two month) southern hemisphere observing campaign to determine the nuclear rotational state in 1996 if possible before activity turns on.
NASA Astrophysics Data System (ADS)
Melnik, Dmitry G.; Miller, Terry A.; Liu, Jinjun
2013-06-01
Isopropoxy radicals are reactive intermediates in atmospheric and combustion chemistry. From the theoretical point of view, they represent an extreme case of ``isotopically'' substituted methoxy radicals with two methyl groups playing the role of heavy hydrogen isotopes. Previously the rotationally resolved spectra of ˜{B}^2A' ← ˜{X}^2A' electronic transition were successfully analyzed using a simple effective rotational Hamiltonian of the isolated ˜{X} and ˜{B} states. However, a number of the experimentally determined parameters appeared dramatically inconsistent with the quantum chemistry calculations and theoretical predictions based on the symmetry arguments. Recently, we analyzed these spectra using a coupled two state model, which explicitly includes interactions between the ground ˜{X}^2A' state and low-lying excited ˜{A}^2A^'' state. In this presentation we will discuss the results of this analysis and compare the parameters of both models and their physical significance. D. G. Melnik, T. A. Miller and J. Liu, TI15, 67^{th Molecular Spectroscopy Symposium}, Columbus, 2012
Effect of the equation of state on the maximum mass of differentially rotating neutron stars
NASA Astrophysics Data System (ADS)
Studzińska, A. M.; Kucaba, M.; Gondek-Rosińska, D.; Villain, L.; Ansorg, M.
2016-08-01
Knowing the value of the maximum mass of a differentially rotating relativistic star is a key-step toward the understanding of the signals to be expected from the merger of binary neutron stars, one of the most awaited alternative sources of gravitational waves after binary black holes. In this article, we study the effects of differential rotation and of the equation of state on the maximum mass of rotating neutron stars modeled as relativistic polytropes with various adiabatic indices. Calculations are performed using a highly accurate numerical code, based on a multi-domain spectral method. We thoroughly explore the parameter space and determine how the maximum mass depends on the stiffness, on the degree of differential rotation and on the maximal density, taking into account all the types of solutions that were proven to exist in a preceding article (Ansorg et al. 2009). The highest increase with respect to the maximum mass for non-rotating stars with the same equation of state is reached for a moderate stiffness. With differential rotation, the maximum mass can even be 3-4 times higher than it is for static stars. This result may have important consequences for the gravitational wave signal from coalescing neutron star binaries or for some supernovae events.
NASA Technical Reports Server (NTRS)
Brown, J. M.; Evenson, K. M.; Sears, T. J.
1985-01-01
The GeH radical has been detected in its ground 2 Pi state in the gas phase reaction of fluorine atoms with GeH4 by laser magnetic resonance techniques. Rotational transitions within both 2 Pi 1/2 and 2 Pi 3/2 manifolds have been observed at far-infrared wavelengths and rotational transitions between the two fine structure components have been detected at infrared wavelengths (10 microns). Signals have been observed for all five naturally occurring isotopes of germanium. Nuclear hyperfine structure for H-1 and Ge-73 has also been observed. The data for the dominant isotope (/Ge-74/H) have been fitted to within experimental error by an effective Hamiltonian to give a set of molecular parameters for the X 2 Pi state which is very nearly complete. In addition, the dipole moment of GeH in its ground state has been estimated from the relative intensities of electric and magnetic dipole transitions in the 10 micron spectrum to be 1.24(+ or - 0.10) D.
Orbital rotation in the lowest triplet state of benzophenone
Dinse, K.P.; Pratt, D.W.
1982-04-07
Optically detected magnetic resonance (ODMR) and electron-nuclear double resonance (ODENDOR) spectroscopy at both zero and high magnetic fields were used to examine single crystals of 4,4'-dibromodiphenyl ether (DOE) containing 0.1 mol % of an enriched perdeuterio (/sup 17/O) benzophenone (/sup 17/O-BP-d/sub 10/) guest. Representative spectra are presented and explanations are offered for the electron spin transitions. The summarized results indicate the currently used atomic orbital functions do not provide an accurate description of the lowest excited states of many aromatic carbonyls. (BLM)
Rotational resonance with multiple-pulse scaling in solid-state nuclear magnetic resonance
NASA Astrophysics Data System (ADS)
Spencer, Richard G. S.; Fishbein, Kenneth W.; Levitt, Malcolm H.; Griffin, Robert G.
1994-04-01
Multiple-pulse techniques are applied to rotational resonance experiments in solid-state nuclear magnetic resonance. The usual rotational resonance condition is satisfied when an integral multiple of the magic-angle spinning speed equals the difference in isotropic chemical shifts of the two members of a homonuclear spin-1/2 pair. We show that sequences of rapid periodic radio-frequency pulses scale and rotate both the Zeeman and dipole-dipole Hamiltonians, leading to a modification of the resonance condition and to the introduction of new, single- and double-quantum, rotational resonances. Experimental results are presented which demonstrate these effects in the spectra of doubly 13C-labeled solids.
Pure quantum states of a neutrino with rotating spin in dense magnetized matter
NASA Astrophysics Data System (ADS)
Arbuzova, E. V.; Lobanov, A. E.; Murchikova, E. M.
2010-02-01
The problem of neutrino spin rotation in dense matter and in strong electromagnetic fields is solved in accordance with the basic principles of quantum mechanics. We obtain a complete system of wave functions for a massive Dirac neutrino with an anomalous magnetic moment which are the eigenfunctions of the kinetic momentum operator and have the form of nonspreading wave packets. These wave functions enable one to consider the states of neutrino with rotating spin as pure quantum states and can be used for calculating probabilities of various processes with the neutrino in the framework of the Furry picture.
Search for collisional exchange of ground-state atomic alignment between rubidium isotopes
NASA Astrophysics Data System (ADS)
Bahr, E. J.; Kimball, D. F. Jackson; Coste, B.; Rangwala, S. A.; Higbie, J. M.; Ledbetter, M. P.; Rochester, S. M.; Yashchuk, V. V.; Budker, D.
2009-05-01
The collisional transfer of pure atomic alignment (related to coherences between Zeeman sublevels with δM=2) between isotopes of rubidium is searched for using time-dependent magneto-optical rotation. Alignment-exchange collisions are fundamentally different than the commonly studied orientation-exchange collisions: for example, spin-exchange collisions preserve the net orientation in an atomic vapor (because of angular momentum conservation) but do not conserve alignment. Collisional transfer of alignment in alkali atoms has seldom been studied because the cross-sections are expected to be three to four orders of magnitude smaller than the nominal spin-exchange cross-sections. This is due to the fact that ground-state alkali atoms have electronic angular momentum J=1/2 and so the electronic state cannot support a δM=2 coherence. Thus collisional transfer of alignment is only possible because of hyperfine re-coupling during the collision. Implications of the measurement for searches for anomalous spin-dependent forces will be discussed.
Fourier transform far infrared spectrum of CD 3OD: detailed analysis in the torsional ground state
NASA Astrophysics Data System (ADS)
Mukhopadhyay, Indranath; Duan, Yun-Bo; Klee, Stefan
2004-06-01
High resolution Fourier transform (FT) far infrared (FIR) spectra of CD 3OD isotopomer of methanol have been measured in the range 20-350 cm -1 at a resolution of 0.0017 cm -1 using a Bruker spectrometer. The spectra were recorded in various runs at pressure in the range of 0.2-0.8 mbar both at room temperature and at -60 °C. The spectra show complicated splitting due to strong torsional-rotational interactions in the molecule. Detailed assignments have been achieved mainly for the torsional ground state levels. The assigned transition wavenumbers along with the previously known microwave (MW) [J. Chem. Phys. 23 (1955) 1195; J. Chem. Phys. 56 (1972) 5887; Spectrochim. Acta A 54 (1998) 1375], and recently measured millimeter-wave (MMW) lines [I. Mukhopadhyay, R.A.H. Butler, F.C. DeLucia, E. Herbst, in preparation], were fit to an eighth order Hamiltonian [J. Chem. Phys. 104 (1996) 3914; J. Chem. Phys. 110 (1999) 927; J. Mol. Spectrosc. 193 (1999) 418; Chem. Phys. 263 (2001) 263; Chem. Phys. 257 (2000) 91; Chem. Phys. 280 (2002) 119; Chem. Phys. (2003) in press] with 62 varied parameters. The data set consisted of a total of 3211 transitions with 2959 FIR transitions from the ground torsional state with rotational angular momentum K ranging from 0 to 19 and J ranging from 0 to 45, and 237 MW and MMW transitions. The fit converged with a standard deviation of 0.0007 cm -1 for the FIR component of the data and the standard deviation for the MW and MMW transitions was 560 kHz. The standard deviation for the FIR lines is well compared with the estimated experimental accuracy of 0.0002 cm -1 for clean unblended lines. Here we report the actual measured wavenumbers with their assignments, some of these were not included in the fit. The complete data set fitted is not included here for the sake of economy of space but can be obtained from IM.
Rodrigues, Michael L.M.; Leão, Versiane A.; Gomes, Otavio; Lambert, Fanny; Bastin, David; Gaydardzhiev, Stoyan
2015-07-15
Highlights: • Copper bioleaching from PCB (20 mm) by moderate thermophiles was demonstrated. • Larger PCB sheets enable a cost reduction due to the elimination of fine grinding. • Crushing generated cracks in PCB increasing the copper extraction. • A pre-treatment step was necessary to remove the lacquer coating. • High copper extractions (85%) were possible with pulp density of up to 25.0 g/L. - Abstract: The current work reports on a new approach for copper bioleaching from Printed Circuit Board (PCB) by moderate thermophiles in a rotating-drum reactor. Initially leaching of PCB was carried out in shake flasks to assess the effects of particle size (−208 μm + 147 μm), ferrous iron concentration (1.25–10.0 g/L) and pH (1.5–2.5) on copper leaching using mesophile and moderate thermophile microorganisms. Only at a relatively low solid content (10.0 g/L) complete copper extraction was achieved from the particle size investigated. Conversely, high copper extractions were possible from coarse-ground PCB (20 mm-long) working with increased solids concentration (up to 25.0 g/L). Because there was as the faster leaching kinetics at 50 °C Sulfobacillus thermosulfidooxidans was selected for experiments in a rotating-drum reactor with the coarser-sized PCB sheets. Under optimal conditions, copper extraction reached 85%, in 8 days and microscopic observations by SEM–EDS of the on non-leached and leached material suggested that metal dissolution from the internal layers was restricted by the fact that metal surface was not entirely available and accessible for the solution in the case of the 20 mm-size sheets.
The rotational spectrum of the NiS radical in the X3Sigma- state.
Yamamoto, Takuya; Tanimoto, Mitsutoshi; Okabayashi, Toshiaki
2007-07-28
The rotational spectrum of the NiS radical in the X(3)Sigma(-) state was observed by employing a source-modulation microwave spectrometer. The NiS radical was generated in a free space cell by a dc glow discharge in H(2)S diluted with Ar. The nickel atoms were supplied by the sputtering reaction from a nickel cathode. Rotational transitions with J = 11-10 to 25-24 were measured in the region between 135 and 314 GHz. Rotational, centrifugal distortion and several fine-structure constants were determined by a least-squares analysis. Other spectroscopic parameters such as dissociation energy, vibrational wavenumber and equilibrium bond length were also derived from the determined molecular constants. Excitation energies of the lowest (3)Pi and (1)Sigma(+) states were estimated from the fine-structure constants, lambda and gamma.
Long-lived nuclear spin states in rapidly rotating CH2D groups
NASA Astrophysics Data System (ADS)
Elliott, Stuart J.; Brown, Lynda J.; Dumez, Jean-Nicolas; Levitt, Malcolm H.
2016-11-01
Although monodeuterated methyl groups support proton long-lived states, hindering of the methyl rotation limits the singlet relaxation time. We demonstrate an experimental case in which the rapid rotation of the CH2D group extends the singlet lifetime but does not quench the chemical shift difference between the CH2D protons, induced by the chiral environment. Proton singlet order is accessed using Spin-Lock Induced Crossing (SLIC) experiments, showing that the singlet relaxation time TS is over 2 min, exceeding the longitudinal relaxation time T1 by a factor of more than 10. This result shows that proton singlet states may be accessible and long-lived in rapidly rotating CH2D groups.
NASA Astrophysics Data System (ADS)
Marinero, E. E.; Rettner, C. T.; Zare, R. N.
1982-09-01
Using tunable anti-Stokes orders of a frequency-doubled dye laser, rotationally-selective excited-state populations in H2 are prepared by two-photon excitation. The ensuing photoionization allows direct determination of (v'', J'') populations.
The determination of Mercury's gravity field and rotational state with the mission BepiColombo
NASA Astrophysics Data System (ADS)
Iess, L.; Asmar, S. W.; Milani, A.; Tortora, P.; Iafolla, V.
Gravity field and rotational state provide accurate constraints to geophysical models of planetary interiors and have been therefore a major source of information on the internal structure of solar system bodies. Their determination is particularly important for Mercury, whose interior is the least known among terrestrial planets. Today, planetary gravity fields are best investigated by means of microwave Doppler tracking of orbiting spacecraft. In order to attain precise measurements the radio link (involving a carrier transmitted from ground to the spacecraft and retransmitted back to ground) must preserve the highest phase stability and coherence at each intervening stage. Electronic noise from ground and onboard instrumentation must be minimized and propagation noise (due to plasma and troposphere) must be kept to a minimum. This is especially important for phase instabilities induced by interplanetary plasma and solar corona, which have been the main limitation in past gravity experiments with planetary probes. Both forthcoming space missions to Mercury (NASA's Messenger and ESA's Bepi- Colombo) host radio science investigations devoted to geodesy and geophysics. While Messenger's experiment exploits the onboard telecommunication system, based upon a X-band radio link (7.1-8.4 GHz), the experiment MORE (Mercury Orbiter Radioscience Experiment) of BepiColombo makes use of a Ka-band radio link (32-34 GHz) enabled by dedicated onboard and ground hardware. The use of a Ka-band link in combination with the standard telecommunication system allows a complete cancellation of the plasma noise and two-way range rate measurements as accurate as 3 micron/s over time scales of 1000 s, independently of the solar elongation angle. The radio instrumentation includes also a wide-band ranging system (WBRS, using a 20 MHz tone) with a target two-way accuracy of 20 cm. The ranging system will be used to determine Mercury's orbit in the solar system, carrying out accurate tests
NASA Astrophysics Data System (ADS)
McCoy, Anne B.; Ford, Jason E.; Marlett, Melanie L.; Petit, Andrew S.
2014-06-01
In this work, an extension to diffusion Monte Carlo (DMC) is proposed, allowing for the simultaneous calculation of the energy and wave function of multiple rotationally excited states of floppy molecules. The total wave function is expanded into a set of Dirac δ-functions called walkers, while the rotational portion of the wave function is expanded in a symmetric top basis set. Each walker is given a rotational state vector containing coefficients for all states of interest. The positions of the atoms and the coefficients in the state vector evolve according to the split operator approximation of the quantum propagator. The method was benchmarked by comparing calculated rotation-vibration energies for H_3^+, H_2D^+, and H_3O^+ to experimental values. For low to moderate values of J, the resulting energies are within the statistical uncertainty of the calculation. Rotation-vibration coupling is captured through flexibility introduced in the form of the vibrational wave function. This coupling is found to increase with increasing J-values. Based on the success achieved through these systems, the method was applied to CH_5^+ and its deuterated isotopologues for v = 0, J ≥ 10. Based on these calculations, the energy level structure of CH_5^+ is found to resemble that for a of a spherical top, and excitations up to J = 10 displayed insignificant rotation-vibration coupling. Extensions of this approach that explicitly account for vibrations will also be discussed. ` A. S. Petit, J. E. Ford and A. B. McCoy, J. Phys. Chem. A, in press, K. D. Jordan Festschrift, DOI: 10.1021/jp408821a
Electron cryomicroscopy observation of rotational states in a eukaryotic V-ATPase.
Zhao, Jianhua; Benlekbir, Samir; Rubinstein, John L
2015-05-14
Eukaryotic vacuolar H(+)-ATPases (V-ATPases) are rotary enzymes that use energy from hydrolysis of ATP to ADP to pump protons across membranes and control the pH of many intracellular compartments. ATP hydrolysis in the soluble catalytic region of the enzyme is coupled to proton translocation through the membrane-bound region by rotation of a central rotor subcomplex, with peripheral stalks preventing the entire membrane-bound region from turning with the rotor. The eukaryotic V-ATPase is the most complex rotary ATPase: it has three peripheral stalks, a hetero-oligomeric proton-conducting proteolipid ring, several subunits not found in other rotary ATPases, and is regulated by reversible dissociation of its catalytic and proton-conducting regions. Studies of ATP synthases, V-ATPases, and bacterial/archaeal V/A-ATPases have suggested that flexibility is necessary for the catalytic mechanism of rotary ATPases, but the structures of different rotational states have never been observed experimentally. Here we use electron cryomicroscopy to obtain structures for three rotational states of the V-ATPase from the yeast Saccharomyces cerevisiae. The resulting series of structures shows ten proteolipid subunits in the c-ring, setting the ATP:H(+) ratio for proton pumping by the V-ATPase at 3:10, and reveals long and highly tilted transmembrane α-helices in the a-subunit that interact with the c-ring. The three different maps reveal the conformational changes that occur to couple rotation in the symmetry-mismatched soluble catalytic region to the membrane-bound proton-translocating region. Almost all of the subunits of the enzyme undergo conformational changes during the transitions between these three rotational states. The structures of these states provide direct evidence that deformation during rotation enables the smooth transmission of power through rotary ATPases. PMID:25971514
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.
Electronic ground state properties of Coulomb blockaded quantum dots
NASA Astrophysics Data System (ADS)
Patel, Satyadev Rajesh
Conductance through quantum dots at low temperature exhibits random but repeatable fluctuations arising from quantum interference of electrons. The observed fluctuations follow universal statistics arising from the underlying universality of quantum chaos. Random matrix theory (RMT) has provided an accurate description of the observed universal conductance fluctuations (UCF) in "open" quantum dots (device conductance ≥e 2/h). The focus of this thesis is to search for and decipher the underlying origin of similar universal properties in "closed" quantum dots (device conductance ≤e2/ h). A series of experiments is presented on electronic ground state properties measured via conductance measurements in Coulomb blockaded quantum dots. The statistics of Coulomb blockade (CB) peak heights with zero and non-zero magnetic field measured in various devices agree qualitatively with predictions from Random Matrix Theory (RMT). The standard deviation of the peak height fluctuations for non-zero magnetic field is lower than predicted by RMT; the temperature dependence of the standard deviation of the peak height for non-zero magnetic field is also measured. The second experiment summarizes the statistics of CB peak spacings. The peak spacing distribution width is observed to be on the order of the single particle level spacing, Delta, for both zero and non-zero magnetic field. The ratio of the zero field peak spacing distribution width to the non-zero field peak spacing distribution width is ˜1.2; this is good agreement with predictions from spin-resolved RMT predictions. The standard deviation of the non-zero magnetic field peak spacing distribution width shows a T-1/2 dependence in agreement with a thermal averaging model. The final experiment summarizes the measurement of the peak height correlation length versus temperature for various quantum dots. The peak height correlation length versus temperature saturates in small quantum dots, suggesting spectral scrambling
Kostenko, Arseni; Tumanskii, Boris; Karni, Miriam; Inoue, Shigeyoshi; Ichinohe, Masaaki; Sekiguchi, Akira; Apeloig, Yitzhak
2015-10-01
We report the first direct spectroscopic observation by electron paramagnetic resonance (EPR) spectroscopy of a triplet diradical that is formed in a thermally induced rotation around a main-group π bond, that is, the SiSi double bond of tetrakis(di-tert-butylmethylsilyl)disilene (1). The highly twisted ground-state geometry of singlet 1 allows access to the perpendicular triplet diradical 2 at moderate temperatures of 350-410 K. DFT-calculated zero-field splitting (ZFS) parameters of 2 accurately reproduce the experimentally observed half-field transition. Experiment and theory suggest a thermal equilibrium between 1 and 2 with a very low singlet-triplet energy gap of only 7.3 kcal mol(-1) . PMID:26297814
Kostenko, Arseni; Tumanskii, Boris; Karni, Miriam; Inoue, Shigeyoshi; Ichinohe, Masaaki; Sekiguchi, Akira; Apeloig, Yitzhak
2015-10-01
We report the first direct spectroscopic observation by electron paramagnetic resonance (EPR) spectroscopy of a triplet diradical that is formed in a thermally induced rotation around a main-group π bond, that is, the SiSi double bond of tetrakis(di-tert-butylmethylsilyl)disilene (1). The highly twisted ground-state geometry of singlet 1 allows access to the perpendicular triplet diradical 2 at moderate temperatures of 350-410 K. DFT-calculated zero-field splitting (ZFS) parameters of 2 accurately reproduce the experimentally observed half-field transition. Experiment and theory suggest a thermal equilibrium between 1 and 2 with a very low singlet-triplet energy gap of only 7.3 kcal mol(-1) .
Clark, Aurora E; Davidson, Ernest R
2003-05-01
In an effort to find a p-benzyne (1,4-didehydrobenzene) derivative with a triplet ground state, we have investigated tetrasubstitution by -F, -NH(2), -CH(3), and -NO(2) groups. These were predicted to reduce the singlet-triplet gap, but none led to a triplet ground state because of unexpected destabilization of one of the radical orbitals. This effect is likely the result of rehybridization of the substituted C atom, which has been observed for substituted benzene and perturbs the side sigma and sigma* orbital energies of the phenyl ring. The role of substituent rotation on the energy difference between the two nominally singly occupied orbitals (S and A) was then investigated. The energy of the A radical orbital was found to be much more sensitive to perturbations within the sigma C[bond]C framework than the S MO. Consequently, we believe that rehybridization of the ring carbons destabilizes the A radical orbital and can lead to large singlet-triplet splittings. To test this hypothesis, calculations on a p-benzyne with 2,6 substitution by oxygen were performed. Interestingly, a triplet ground state was predicted. Yet, examination of the geometry and wave function showed that 2,6-quinone p-benzyne is a very twisted molecule with a C3-C4-C5 allene linkage and a C1 triplet carbene center.
Superposition states of ultracold bosons in rotating rings with a realistic potential barrier
Nunnenkamp, Andreas; Rey, Ana Maria; Burnett, Keith
2011-11-15
In a recent paper [Phys. Rev. A 82, 063623 (2010)] Hallwood et al. argued that it is feasible to create large superposition states with strongly interacting bosons in rotating rings. Here we investigate in detail how the superposition states in rotating-ring lattices depend on interaction strength and barrier height. With respect to the latter we find a trade-off between energy gap and quality of the superposition state. Most importantly, we go beyond the {delta}-function approximation for the barrier potential and show that the energy gap decreases exponentially with the number of particles for weak barrier potentials of finite width. These are crucial issues in the design of experiments to realize superposition states.
Waeckerle, G.; Baer, M.; Zimmermann, H.; Dinse, K.H.; Yamauchi, S.; Kashmar, R.J.; Pratt, D.W.
1982-03-01
The magnetically active isotope of oxygen /sup 17/O has been used to probe the changes in the electron charge and spin density distributions in oxygen valence orbitals which occur when benzophenone is excited to its lowest triplet state. The data obtained include the optically detected magnetic resonance (ODMR) and electron-nuclear double resonance spectra at both zero and high magnetic fields. New methods of analysis of zero-field ODMR spectra, appropriate when the second-order hyperfine splitting exceeds the quadrupole coupling, are described. This analysis yields the principal values of the electron fine-structure (D), oxygen hyperfine (A), and oxygen quadrupole (Q) tensors, and the orientation of their principal axes with respect to the molecular frame. It is found, consistent with expectations for an n..pi..( state, that the direction of the largest component of Q is different from that of the ground state. It is also found, by two independent methods, that the principal transverse axes of A and Q do not conform to the local C/sub 2v/ symmetry axes of the carbonyl group. This result is interpreted to mean that the axis of the n-type oxygen 2p orbital is rotated out of the carbonyl plane, a rotation which appears to be direct consequence of n..pi..(/..pi pi..( configurational mixing. In agreement with this, the principal values of D, A, and Q are different from those expected for a ''pure'' n..pi..( state. Other consequences of n..pi..(/..pi pi..( mixing, not only in benzophenone but also in the lowest triplet states of other aromatic carbonyls, are discussed briefly.
No-go theorem for ground state cooling given initial system-thermal bath factorization
NASA Astrophysics Data System (ADS)
Wu, Lian-Ao; Segal, Dvira; Brumer, Paul
2013-05-01
Ground-state cooling and pure state preparation of a small object that is embedded in a thermal environment is an important challenge and a highly desirable quantum technology. This paper proves, with two different methods, that a fundamental constraint on the cooling dynamic implies that it is impossible to cool, via a unitary system-bath quantum evolution, a system that is embedded in a thermal environment down to its ground state, if the initial state is a factorized product of system and bath states. The latter is a crucial but artificial assumption included in numerous tools that treat system-bath dynamics, such as master equation approaches and Kraus operator based methods. Adopting these approaches to address ground state and even approximate ground state cooling dynamics should therefore be done with caution, considering the fundamental theorem exposed in this work.
Diffraction pattern by rotated conical tracks in solid state nuclear track detectors
NASA Astrophysics Data System (ADS)
Stevanovic, N.; Markovic, V. M.
2016-06-01
The method for determination of diffraction pattern for irregular 3D objects with application on rotated conical tracks in solid state nuclear track detector (SSNTD) wasdescribed in this paper. The model can be applied for different types of the diffraction (Fresnel, Fraunhofer) and arbitrary shapes of the obstacle. By applying the developed model on conical tracks it was fond that diffraction pattern strongly depends from radius, length and rotation angle of the conical tracks. These dependences were investigated in this paper and results can be applied for determination of inner tracks structure via diffraction pattern.
Pressure dependence of the magnetic ground states in MnP
Matsuda, Masaaki; Ye, Feng; Dissanayake, Sachith E.; Cheng, J. -G.; Chi, Songxue; Ma, Jie; Zhou, H. D.; Yan, Jia -Qiang; Kasamatsu, S.; Sugino, O.; et al
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
How Many Vibrational Levels does the Ground Electronic State of the Sodium Dimer Support?
NASA Astrophysics Data System (ADS)
Hajigeorgiou, Photos G.
2013-06-01
Over a decade ago, Raman molecular beam experiments were employed to detect the asymptotic vibrational levels of the ground electronic state of the sodium dimer, and identified υ = 65 as the highest bound vibrational level. This result is in contrast to the recent prediction that the vibrational index at dissociation is υ{_D} = 66.9(2). An attempt is made to resolve this issue, using a direct potential fitting method that considers highly precise term values and a potential energy model that takes full account of the accurately known long-range dispersion energy coefficients in extrapolating the potential reliably to the dissociation asymptote. The principal end-product of this procedure, the complete potential energy curve, is employed to furnish accurate vibrational energies, rotational constants, and centrifugal distortion constants for all bound vibrational levels. These are then transformed appropriately according to Le Roy-Bernstein long-range theory to yield an independent WKB estimate of the vibrational index at dissociation. A. Crubellier, O. Dulieu, F. Masnou-Seeuws, M. Elbs, H. Knöckel, and E. Tiemann, Eur. Phys. J. D 6, 211-220 (1999). P. G. Hajigeorgiou, J. Mol. Spectrosc. in press (2013).
Ground-state modulation-enhancement by two-state lasing in quantum-dot laser devices
Röhm, André; Lingnau, Benjamin; Lüdge, Kathy
2015-05-11
We predict a significant increase of the 3 dB-cutoff-frequency on the ground-state lasing wavelength for two-state-lasing quantum-dot lasers using a microscopically motivated multi-level rate-equation model. After the onset of the second lasing line, the excited state acts as a high-pass filter, improving the ground-state response to faster modulation frequencies. We present both numerically simulated small-signal and large-signal modulation results and compare the performance of single and two-state lasing devices. Furthermore, we give dynamical arguments for the advantages of two-state lasing on data-transmission capabilities.
Hindered and modulated rotational states and spectra of adsorbed diatomic molecules
Shih, Y.T.; Chuu, D.S.; Mei, W.N.
1996-10-01
Both vertical and horizontal adsorption configurations of a diatomic molecule were modeled as the rigid rotor with which the spatial motion was confined by a finite conical well. In addition to the polar hindering potential, a sinusoidal azimuthal modulation, which bears the local symmetry of the adsorption site, was incorporated. Eigenfunctions for different models were expressed analytically in terms of the hypergeometric functions, and eigenvalues were solved numerically. We found that the rotational energy levels exhibit oscillatory behavior when plotted as functions of the hindrance angle. This particular phenomenon was interpreted as the occurrence of resonance transmission of the rotor wave function at certain hindrance condition. We also found that the rotational levels were grouped into bands when the azimuthal modulation strength was increased. The solutions were used to calculate the rotational-state distribution of desorbed molecules, and agreement with the previous experiment was obtained. {copyright} {ital 1996 The American Physical Society.}
Development of three-dimensional state-space wake theory and application in dynamic ground effect
NASA Astrophysics Data System (ADS)
Yu, Ke
In topics of rotorcraft wake analysis, state-space wake theory has a recognized reputation for advantages in real-time simulation, preliminary design and eigenvalue analysis. Developments in the past decades greatly improved range of validity and accuracy of the state-space modeling approach. This work focuses on further improvement of the state-space wake theory and applications in representing dynamic ground effect. Extended state-space model is developed to represent non-zero mass flux on rotor disk. Its instant practical application, representing ground effect with a mass source ground rotor, is evaluated in both steady and dynamic aspects. Investigations of partial ground effect simulation by state-space model are carried out in different rotor configurations. Additional work is done in improving simulation efficiency of practical application of state-space modeling.
ROTATION STATE OF COMET 103P/HARTLEY 2 FROM RADIO SPECTROSCOPY AT 1 mm
Drahus, Michal; Jewitt, David; Guilbert-Lepoutre, Aurelie; Waniak, Waclaw; Hoge, James; Lis, Dariusz C.; Yoshida, Hiroshige; Peng, Ruisheng; Sievers, Albrecht
2011-06-10
The nuclei of active comets emit molecules anisotropically from discrete vents. As the nucleus rotates, we expect to observe periodic variability in the molecular emission line profiles, which can be studied through millimeter/submillimeter spectroscopy. Using this technique we investigated the HCN atmosphere of comet 103P/Hartley 2, the target of NASA's EPOXI mission, which had an exceptionally favorable apparition in late 2010. We detected short-term evolution of the spectral line profile, which was stimulated by the nucleus rotation, and which provides evidence for rapid deceleration and excitation of the rotation state. The measured rate of change in the rotation period is +1.00 {+-} 0.15 minutes day{sup -1} and the period itself is 18.32 {+-} 0.03 hr, both applicable at the epoch of the EPOXI encounter. Surprisingly, the spin-down efficiency is lower by two orders of magnitude than the measurement in comet 9P/Tempel 1 and the best theoretical prediction. This secures rotational stability of the comet's nucleus during the next few returns, although we anticipate a catastrophic disruption from spin-up as its ultimate fate.
Luo, Zhihong; Huang, Huang; Chang, Yih-Chung; Zhang, Zheng; Yin, Qing-Zhu; Ng, C Y
2014-10-14
Titanium carbide and its cation (TiC/TiC(+)) have been investigated by the two-color visible (VIS)-ultraviolet (UV) resonance-enhanced photoionization and pulsed field ionization-photoelectron (PFI-PE) methods. Two visible excitation bands for neutral TiC are observed at 16,446 and 16,930 cm(-1). Based on rotational analyses, these bands are assigned as the respective TiC((3)Π1) ← TiC(X(3)Σ(+)) and TiC((3)Σ(+)) ← TiC(X(3)Σ(+)) transition bands. This assignment supports that the electronic configuration and term symmetry for the neutral TiC ground state are …7σ(2)8σ(1)9σ(1)3π(4) (X(3)Σ(+)). The rotational constant and the corresponding bond distance of TiC(X(3)Σ(+); v″ = 0) are determined to be B0″ = 0.6112(10) cm(-1) and r0″ = 1.695(2) Å, respectively. The rotational analyses of the VIS-UV-PFI-PE spectra for the TiC(+)(X; v(+) = 0 and 1) vibrational bands show that the electronic configuration and term symmetry for the ionic TiC(+) ground state are …7σ(2)8σ(1)3π(4) (X(2)Σ(+)) with the v(+) = 0 → 1 vibrational spacing of 870.0(8) cm(-1) and the rotational constants of B(e)(+) = 0.6322(28) cm(-1), and α(e)(+) = 0.0085(28) cm(-1). The latter rotational constants yield the equilibrium bond distance of r(e)(+) = 1.667(4) Å for TiC(+)(X(2)Σ(+)). The cleanly rotationally resolved VIS-UV-PFI-PE spectra have also provided a highly precise value of 53 200.2(8) cm(-1) [6.5960(1) eV] for the adiabatic ionization energy (IE) of TiC. This IE(TiC) value along with the known IE(Ti) has made possible the determination of the difference between the 0 K bond dissociation energy (D0) of TiC(+)(X(2)Σ(+)) and that of TiC(X(3)Σ(+)) to be D0(Ti(+)-C) - D0(Ti-C) = 0.2322(2) eV. Similar to previous experimental observations, the present state-to-state PFI-PE study of the photoionization transitions, TiC(+)(X(2)Σ(+); v(+) = 0 and 1, N(+)) ← TiC((3)Π1; v', J'), reveals a strong decreasing trend for the photoionization cross section as |ΔN(+)| = |N
Exact ground states of large two-dimensional planar Ising spin glasses
NASA Astrophysics Data System (ADS)
Pardella, G.; Liers, F.
2008-11-01
Studying spin-glass physics through analyzing their ground-state properties has a long history. Although there exist polynomial-time algorithms for the two-dimensional planar case, where the problem of finding ground states is transformed to a minimum-weight perfect matching problem, the reachable system sizes have been limited both by the needed CPU time and by memory requirements. In this work, we present an algorithm for the calculation of exact ground states for two-dimensional Ising spin glasses with free boundary conditions in at least one direction. The algorithmic foundations of the method date back to the work of Kasteleyn from the 1960s for computing the complete partition function of the Ising model. Using Kasteleyn cities, we calculate exact ground states for huge two-dimensional planar Ising spin-glass lattices (up to 30002 spins) within reasonable time. According to our knowledge, these are the largest sizes currently available. Kasteleyn cities were recently also used by Thomas and Middleton in the context of extended ground states on the torus. Moreover, they show that the method can also be used for computing ground states of planar graphs. Furthermore, we point out that the correctness of heuristically computed ground states can easily be verified. Finally, we evaluate the solution quality of heuristic variants of the L. Bieche approach.
Bes, D. R.; Civitarese, O.
2010-01-15
Theoretical matrix elements, for the ground-state to ground-state two-neutrino double-{beta}-decay mode (2{nu}{beta}{sup -}{beta}{sup -}gs->gs) of {sup 128,130}Te isotopes, are calculated within a formalism that describes interactions between neutrons in a superfluid phase and protons in a normal phase. The elementary degrees of freedom of the model are proton-pair modes and pairs of protons and quasineutrons. The calculation is basically a parameter-free one, because all relevant parameters are fixed from the phenomenology. A comparison with the available experimental data is presented.
Azuma, Y.; Childs, W.J. )
1990-12-15
The molecular-beam laser-radio-frequency double-resonance method has been used to measure the spin--rotation and magnetic hyperfine structure of yttrium monosulfide (YS) in its {ital X} {sup 2}{Sigma}{sup +} electronic ground state. The spin--rotation constant {gamma} is found to be positive, unlike that of YO. The Fermi contact and dipolar hyperfine interactions (due to the spin {ital I}=1/2 of {sup 89}Y) are found to be rather close to the corresponding quantities in YO. The contact hfs constant {ital b} in the excited {ital B} {sup 2}{Sigma}{sup +} state of YS was determined by combining the directly measured {ital X} {sup 2}{Sigma}{sup +} splitting information with {ital B}--{ital X} optical hfs observations.
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.
Ground state properties of superheavy nuclei with Z=117 and Z=119
Ren Zhongzhou; Chen Dinghan; Xu Chang
2006-11-02
We review the current studies on the ground-state properties of superheavy nuclei. It is shown that there is shape coexistence for the ground state of many superheavy nuclei from different models and many superheavy nuclei are deformed. This can lead to the existence of isomers in superheavy region and it plays an important role for the stability of superheavy nuclei. Some new results on Z=117 and Z=119 isotopes are presented. The agreement between theoretical results and experimental data clearly demonstrates the validity of theoretical models for the ground-state properties of superheavy nuclei.
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.
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.
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.
Short rotation woody crops: Using agroforestry technology for energy in the United States
Wright, L L; Ranney, J W
1991-01-01
Agroforestry in the United States is being primarily defined as the process of using trees in agricultural systems for conservation purposes and multiple products. The type of agroforestry most commonly practiced in many parts of the world, that is the planting of tree crops in combination with food crops or pasture, is the type least commonly practiced in the United States. One type of agroforestry technique, which is beginning now and anticipated to expand to several million acres in the United States, is the planting of short-rotation woody crops (SRWCs) primarily to provide fiber and fuel. Research on SRWC's and environmental concerns are described.
2013-01-01
We investigate the nature of the S* excited state in carotenoids by performing a series of pump–probe experiments with sub-20 fs time resolution on spirilloxanthin in a polymethyl-methacrylate matrix varying the sample temperature. Following photoexcitation, we observe sub-200 fs internal conversion of the bright S2 state into the lower-lying S1 and S* states, which in turn relax to the ground state on a picosecond time scale. Upon cooling down the sample to 77 K, we observe a systematic decrease of the S*/S1 ratio. This result can be explained by assuming two thermally populated ground state isomers. The higher lying one generates the S* state, which can then be effectively frozen out by cooling. These findings are supported by quantum chemical modeling and provide strong evidence for the existence and importance of ground state isomers in the photophysics of carotenoids. PMID:23577754
Spin-rotation symmetry breaking in the superconducting state of CuxBi2Se3
NASA Astrophysics Data System (ADS)
Matano, K.; Kriener, M.; Segawa, K.; Ando, Y.; Zheng, Guo-Qing
2016-09-01
Spontaneous symmetry breaking is an important concept for understanding physics ranging from the elementary particles to states of matter. For example, the superconducting state breaks global gauge symmetry, and unconventional superconductors can break further symmetries. In particular, spin-rotational symmetry is expected to be broken in spin-triplet superconductors. However, experimental evidence for such symmetry breaking has not been conclusively obtained so far in any candidate compounds. Here, using 77Se nuclear magnetic resonance measurements, we show that spin-rotation symmetry is spontaneously broken in the hexagonal plane of the electron-doped topological insulator Cu0.3Bi2Se3 below the superconducting transition temperature Tc = 3.4 K. Our results not only establish spin-triplet superconductivity in this compound, but may also serve to lay a foundation for the research of topological superconductivity.
Ion rotational distributions following vibrational autoionization of Rydberg states of water
NASA Astrophysics Data System (ADS)
Glab, W. L.; Pratt, S. T.
2003-10-01
Rotationally resolved, energy-dispersive photoelectron spectra of vibrationally autoionizing Rydberg states of water were aquired using double-resonance pulsed laser excitation in a high-resolution magnetic bottle photoelectron spectrometer. Symmetry considerations and angular momentum coupling dictate the possible ionic rotational quantum numbers corresponding to various Rydberg states. The measured ionic distributions contain information both on the excited electron's angular momentum in the Rydberg molecule and the dynamics of the autoionization process. These results, which are difficult to reconcile with current simplified theoretical pictures, suggest directions for future theoretical work leading to a better understanding of autoionization in polyatomic molecules. This work was supported by the Welch Foundation under grant D-1204, and by the Department of Energy under contract W-31-109-Eng-38.
An approximate solution to the stress and deformation states of functionally graded rotating disks
NASA Astrophysics Data System (ADS)
Sondhi, Lakshman; Sanyal, Shubhashis; Saha, Kashi Nath; Bhowmick, Shubhankar
2016-07-01
The present work employs variational principle to investigate the stress and deformation states and estimate the limit angular speed of functionally graded high-speed rotating annular disks of constant thickness. Assuming a series approximation following Galerkin's principle, the solution of the governing equation is obtained. In the present study, elasticity modulus and density of the disk material are taken as power function of radius with the gradient parameter ranging between 0.0 and 1.0. Results obtained from numerical solutions are validated with benchmark results and are found to be in good agreement. The results are reported in dimensional form and presented graphically. The results provide a substantial insight in understanding the behavior of FGM rotating disks with constant thickness and different gradient parameter. Furthermore, the stress and deformation state of the disk at constant angular speed and limit angular speed is investigated to explain the existence of optimum gradient parameters.
NASA Astrophysics Data System (ADS)
Oguri, S.; Choi, J.; Damayanthi, T.; Hattori, M.; Hazumi, M.; Ishitsuka, H.; Karatsu, K.; Mima, S.; Minowa, M.; Nagasaki, T.; Otani, C.; Sekimoto, Y.; Tajima, O.; Tomita, N.; Yoshida, M.; Won, E.
2016-08-01
Cosmic microwave background (CMB) is an important source of information about the origin of our universe. In particular, odd-parity large angular scale patterns in the CMB polarization, the primordial B-modes, are strong evidence for an inflationary universe, related to the accelerating expansion of the metric. We are developing a unique telescope, GroundBIRD, to take CMB polarization measurements. The telescope combines novel techniques: high-speed rotation scanning, cold optics, and microwave kinetic inductance detectors (MKIDs). We evaluated the response of MKIDs on the rotation stage. Method of shielding from the geo-magnetic field is established. We have also developed a receiver cryostat. We are able to maintain a sufficient cold status for observations on the optical configuration. We plan to start commissioning the system by observing CMB in Japan in 2015-2016. We will then deploy GroundBIRD in the Canary Islands for further scientific observations.
Optical pumping of metastable NH radicals into the paramagnetic ground state
Meerakker, Sebastiaan Y.T. van de; Mosk, Allard P.; Jongma, Rienk T.; Sartakov, Boris G.; Meijer, Gerard
2003-09-01
We here report on the optical pumping of both {sup 14}NH and {sup 15}NH radicals from the metastable a {sup 1}{delta} state into the X {sup 3}{sigma}{sup -} ground state in a molecular beam experiment. By inducing the hitherto unobserved spin-forbidden A {sup 3}{pi} <- a {sup 1}{delta} transition, followed by spontaneous emission to the X {sup 3}{sigma}{sup -} state, a unidirectional pathway for population transfer from the metastable state into the electronic ground state is obtained. The optical pumping scheme demonstrated here opens up the possibility to accumulate NH radicals in a magnetic or optical trap.
Switching between ground and excited states by optical feedback in a quantum dot laser diode
Virte, Martin; Breuer, Stefan; Sciamanna, Marc; Panajotov, Krassimir
2014-09-22
We demonstrate switching between ground state and excited state emission in a quantum-dot laser subject to optical feedback. Even though the solitary laser emits only from the excited state, we can trigger the emission of the ground state by optical feedback. We observe recurrent but incomplete switching between the two emission states by variation of the external cavity length in the sub-micrometer scale. We obtain a good qualitative agreement of experimental results with simulation results obtained by a rate equation that accounts for the variations of the feedback phase.
The Ground and Two Lowest-lying Singlet Excited Electronic States of Copper Hydroxide (CuOH)
Wang, Suyun; Paul, Ankan; DeYonker, Nathan John; Yamaguchi, Yukio; Schaefer, Henry F
2005-07-12
The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Various ab initio methods, including self-consistent field (SCF), configuration interaction, coupled cluster (CC), and complete-active-space SCF (CASSCF), have been employed to study the electronic structure of copper hydroxide (CuOH). Geometries, total energies, dipole moments, harmonic vibrational frequencies, and zero-point vibrational energies are reported for the linear^{ 1}Σ^{+} and 1Π stationary points, and for the bent ground-state X˜ ^{1}A', and excited-states 2 ^{1}A" and 1^{ 1}A". Six different basis sets have been used in the study, Wachters/DZP being the smallest and QZVPP being the largest. The ground- and excited-state bending modes present imaginary frequencies for the linear stationary points, indicating that bent structures are more favorable. The effects of relativity for CuOH are important and have been considered using the Douglas–Kroll approach with cc-pVTZ/cc-pVTZ_DK and cc-pVQZ/cc-pVQZ_DK basis sets. The bent ground and two lowest-lying singlet excited states of the CuOH molecule are indeed energetically more stable than the corresponding linear structures. The optimized geometrical parameters for the X˜ ^{1}A' and 1 ^{1}A" states agree fairly well with available experimental values. However, the 2 ^{1}A' structure and rotational constants are in poor agreement with experiment, and we suggest that the latter are in error. The predicted adiabatic excitation energies are also inconsistent with the experimental values of 45.5 kcal mol^{-1} for the 2 ^{1}A' state and 52.6 kcal mol^{-1} for the 1^{ 1}A" state. The theoretical CC and CASSCF methods show lower
Ground states of stealthy hyperuniform potentials. II. Stacked-slider phases
NASA Astrophysics Data System (ADS)
Zhang, G.; Stillinger, F. H.; Torquato, S.
2015-08-01
Stealthy potentials, a family of long-range isotropic pair potentials, produce infinitely degenerate disordered ground states at high densities and crystalline ground states at low densities in d -dimensional Euclidean space Rd. In the previous paper in this series, we numerically studied the entropically favored ground states in the canonical ensemble in the zero-temperature limit across the first three Euclidean space dimensions. In this paper, we investigate using both numerical and theoretical techniques metastable stacked-slider phases, which are part of the ground-state manifold of stealthy potentials at densities in which crystal ground states are favored entropically. Our numerical results enable us to devise analytical models of this phase in two, three, and higher dimensions. Utilizing this model, we estimated the size of the feasible region in configuration space of the stacked-slider phase, finding it to be smaller than that of crystal structures in the infinite-system-size limit, which is consistent with our recent previous work. In two dimensions, we also determine exact expressions for the pair correlation function and structure factor of the analytical model of stacked-slider phases and analyze the connectedness of the ground-state manifold of stealthy potentials in this density regime. We demonstrate that stacked-slider phases are distinguishable states of matter; they are nonperiodic, statistically anisotropic structures that possess long-range orientational order but have zero shear modulus. We outline some possible future avenues of research to elucidate our understanding of this unusual phase of matter.
Trajectory approach to the Schrödinger-Langevin equation with linear dissipation for ground states
NASA Astrophysics Data System (ADS)
Chou, Chia-Chun
2015-11-01
The Schrödinger-Langevin equation with linear dissipation is integrated by propagating an ensemble of Bohmian trajectories for the ground state of quantum systems. Substituting the wave function expressed in terms of the complex action into the Schrödinger-Langevin equation yields the complex quantum Hamilton-Jacobi equation with linear dissipation. We transform this equation into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation is simultaneously integrated with the trajectory guidance equation. Then, the computational method is applied to the harmonic oscillator, the double well potential, and the ground vibrational state of methyl iodide. The excellent agreement between the computational and the exact results for the ground state energies and wave functions shows that this study provides a synthetic trajectory approach to the ground state of quantum systems.
Bott Periodicity for Z_2 Symmetric Ground States of Gapped Free-Fermion Systems
NASA Astrophysics Data System (ADS)
Kennedy, R.; Zirnbauer, M. R.
2016-03-01
Building on the symmetry classification of disordered fermions, we give a proof of the proposal by Kitaev, and others, for a "Bott clock" topological classification of free-fermion ground states of gapped systems with symmetries. Our approach differs from previous ones in that (i) we work in the standard framework of Hermitian quantum mechanics over the complex numbers, (ii) we directly formulate a mathematical model for ground states rather than spectrally flattened Hamiltonians, and (iii) we use homotopy-theoretic tools rather than K-theory. Key to our proof is a natural transformation that squares to the standard Bott map and relates the ground state of a d-dimensional system in symmetry class s to the ground state of a ( d + 1)-dimensional system in symmetry class s + 1. This relation gives a new vantage point on topological insulators and superconductors.
Symmetry of extremely floppy molecules: Molecular states beyond rotation-vibration separation
NASA Astrophysics Data System (ADS)
Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per
2015-10-01
Traditionally, molecules are theoretically described as near-static structures rotating in space. Vibrational motion causing small structural deformations induces a perturbative treatment of the rotation-vibration interaction, which fails in highly fluxional molecules, where all vibrational motions have amplitudes comparable in size to the linear dimensions of the molecule. An example is protonated methane (CH 5+ ) [P. Kumar and D. Marx, Phys. Chem. Chem. Phys. 8, 573 (2006); Z. Jin et al., J. Phys. Chem. A 110, 1569 (2006); and A. S. Petit et al., J. Phys. Chem. A 118, 7206 (2014)]. For these molecules, customary theory fails to simulate reliably even the low-energy spectrum [T. Oka, Science 347, 1313-1314 (2015) and O. Asvany et al., Science 347, 1346-1349 (2015)]. Within the traditional view of rotation and vibration being near-separable, rotational and vibrational wavefunctions can be symmetry classified separately in the molecular symmetry (MS) group [P. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, NRC Monograph Publishing Program (NRC Research Press, 2006)]. In this article, we discuss a fundamental group theoretical approach to the problem of determining the symmetries of molecular rotation-vibration states. We will show that all MS groups discussed so far are isomorphic to subgroups of the special orthogonal group in three dimensions SO(3). This leads to a group theoretical foundation of the technique of equivalent rotations [H. Longuet-Higgins, Mol. Phys. 6, 445 (1963)]. The group G240 (the MS group of protonated methane) represents, to the best of our knowledge, the first example of a MS group which is not isomorphic to a subgroup of SO(3) (nor of O(3) or of SU(2)). Because of this, a separate symmetry classification of vibrational and rotational wavefunctions becomes impossible in this MS group, consistent with the fact that a decoupling of vibrational and rotational motion is impossible. We discuss here the consequences of this. In
Symmetry of extremely floppy molecules: Molecular states beyond rotation-vibration separation.
Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per
2015-10-21
Traditionally, molecules are theoretically described as near-static structures rotating in space. Vibrational motion causing small structural deformations induces a perturbative treatment of the rotation-vibration interaction, which fails in highly fluxional molecules, where all vibrational motions have amplitudes comparable in size to the linear dimensions of the molecule. An example is protonated methane (CH5(+)) [P. Kumar and D. Marx, Phys. Chem. Chem. Phys. 8, 573 (2006); Z. Jin et al., J. Phys. Chem. A 110, 1569 (2006); and A. S. Petit et al., J. Phys. Chem. A 118, 7206 (2014)]. For these molecules, customary theory fails to simulate reliably even the low-energy spectrum [T. Oka, Science 347, 1313-1314 (2015) and O. Asvany et al., Science 347, 1346-1349 (2015)]. Within the traditional view of rotation and vibration being near-separable, rotational and vibrational wavefunctions can be symmetry classified separately in the molecular symmetry (MS) group [P. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, NRC Monograph Publishing Program (NRC Research Press, 2006)]. In this article, we discuss a fundamental group theoretical approach to the problem of determining the symmetries of molecular rotation-vibration states. We will show that all MS groups discussed so far are isomorphic to subgroups of the special orthogonal group in three dimensions SO(3). This leads to a group theoretical foundation of the technique of equivalent rotations [H. Longuet-Higgins, Mol. Phys. 6, 445 (1963)]. The group G240 (the MS group of protonated methane) represents, to the best of our knowledge, the first example of a MS group which is not isomorphic to a subgroup of SO(3) (nor of O(3) or of SU(2)). Because of this, a separate symmetry classification of vibrational and rotational wavefunctions becomes impossible in this MS group, consistent with the fact that a decoupling of vibrational and rotational motion is impossible. We discuss here the consequences of this. In
Symmetry Beyond Perturbation Theory: Floppy Molecules and Rotation-Vibration States
NASA Astrophysics Data System (ADS)
Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per
2015-06-01
In the customary approach to the theoretical description of the nuclear motion in molecules, the molecule is seen as a near-static structure rotating in space. Vibrational motion causing small structural deformations induces a perturbative treatment of the rotation-vibration interaction, which fails in fluxional molecules, where all vibrational motions are large compared to the linear extension of the molecule. An example is protonated methane (CH_5^+). For this molecule, customary theory fails to simulate reliably even the low-energy spectrum. Within the traditional view of rotation and vibration being near-separable, rotational and vibrational wavefunctions can be symmetry classified separately in the molecular symmetry (MS) group. In the present contribution we discuss a fundamental group theoretical approach to the problem of determining the symmetries of molecular rotation-vibration states. We will show that all MS groups discussed so far are subgroups of the special orthogonal group in three dimensions SO(3) This leads to a group theoretical foundation of the technique of equivalent rotations. The MS group of protonated methane (G240) represents, to the best of our knowledge, the first example of an MS group which is not a subgroup of SO(3) (nor of O(3) nor of SU(2)). Because of this, a separate symmetry classification of vibrational and rotational wavefunctions becomes impossible in this MS group, consistent with the fact that a decoupling of vibrational and rotational motion is impossible. We want to discuss the consequences of this. In conclusion, we show that the prototypical floppy molecule CH_5^+ represents a new class of molecules, where usual group theoretical methods for determining selection rules and spectral assignments fail so that new methods have to be developed. P. Kumar and D. Marx, Physical Chemistry Chemical Physics 8, 573 (2006) Z. Jin, B. J. Braams, and J. M. Bowman, The Journal of Physical Chemistry A 110, 1569 (2006) A. S. Petit, J. E
Arsenic in Ground Water of the United States
... Information Arsenic in groundwater of the United States Arsenic in groundwater is largely the result of minerals dissolving from weathered rocks and soils. Several types of cancer have been linked to ...
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.
Ground state properties of solid and liquid spin-aligned atomic hydrogen
NASA Technical Reports Server (NTRS)
Danilowicz, R. L.; Dugan, J. V., Jr.; Etters, R. D.
1976-01-01
Calculations of the ground state energy in the solid phase were performed with the aid of a variational approach. The Morse potential form of the atomic triple potential computed by Kolos and Wolniewicz (1965) was employed for the calculations. The ground state energies of both the liquid and solid phases of spin-aligned atomic hydrogen around the volume of the transition are presented in a graph.
Suo, Bingbing; Yu, Yan-Mei; Han, Huixian
2015-03-07
We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with {sup 4}Σ{sup −} and {sup 2}Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm{sup −1} above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm{sup −1} of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm{sup −1}, which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths.
Equilibrium states and ground state of two-dimensional fluid foams
Graner, F.; Jiang, Y.; Janiaud, E.; Flament, C.
2001-01-01
We study the equilibrium energies of two-dimensional (2D) noncoarsening fluid foams, which consist of bubbles with fixed areas. The equilibrium states correspond to local minima of the total perimeter. We present a theoretical derivation of energy minima; experiments with ferrofluid foams, which can be either highly distorted, locally relaxed, or globally annealed; and Monte Carlo simulations using the extended large-Q Potts model. For a dry foam with small size variance we develop physical insight and an electrostatic analogy, which enables us to (i) find an approximate value of the global minimum perimeter, accounting for (small) area disorder, the topological distribution, and physical boundary conditions; (ii) conjecture the corresponding pattern and topology: small bubbles sort inward and large bubbles sort outward, topological charges of the same signs ''repel'' while charges of the opposite signs ''attract;'' (iii) define local and global markers to determine directly from an image how far a foam is from its ground state; (iv) conjecture that, in a local perimeter minimum at prescribed topology, the pressure distribution and thus the edge curvature are unique. Some results also apply to 3D foams.
The interaction potential of NO-H2 in ground and A Rydberg state
NASA Astrophysics Data System (ADS)
Pajón-Suárez, Pedro; Valentín-Rodríguez, Mónica; Hernández-Lamoneda, Ramón
2016-08-01
The interaction potential for the ground and A Rydberg state of NO-H2 has been calculated using high level ab initio methods. The complex is very floppy in nature and large amplitude motions are expected to characterize its dynamics. The ground state is characterized by two very close-lying states which exhibit crossings. By analogy with other complexes the Rydberg state is characterized by much smaller well depth and larger intermolecular distance. We compare with model potentials used in previous molecular dynamics simulations of photoexcitation and relaxation and conclude on the importance of performing new studies.
Periodic ground state for the charged massive Schwinger model
Nagy, S.; Sailer, K.; Polonyi, J.
2004-11-15
It is shown that the charged massive Schwinger model supports a periodic vacuum structure for arbitrary charge density, similar to the common crystalline layout known in solid state physics. The dynamical origin of the inhomogeneity is identified in the framework of the bosonized model and in terms of the original fermionic variables.
Sharing Common Ground: Texas and the Common Core State Standards
ERIC Educational Resources Information Center
Vasinda, Sheri; Grote-Garcia, Stephanie; Durham, Patricia
2013-01-01
When browsing through professional catalogs or attending national conferences, one cannot help but notice the growing emphasis on the Common Core State Standards (CCSS). So, what does this mean for Texas teachers? As part of a special four-part series in our Texas Journal of Literacy Education, a special task force from the TALE Board will share…
Rotation State of Comet 103P/Hartley 2 from Radio Spectroscopy at 1 mm
NASA Astrophysics Data System (ADS)
Drahus, Michał; Jewitt, David; Guilbert-Lepoutre, Aurélie; Waniak, Wacław; Hoge, James; Lis, Dariusz C.; Yoshida, Hiroshige; Peng, Ruisheng; Sievers, Albrecht
2011-06-01
The nuclei of active comets emit molecules anisotropically from discrete vents. As the nucleus rotates, we expect to observe periodic variability in the molecular emission line profiles, which can be studied through millimeter/submillimeter spectroscopy. Using this technique we investigated the HCN atmosphere of comet 103P/Hartley 2, the target of NASA's EPOXI mission, which had an exceptionally favorable apparition in late 2010. We detected short-term evolution of the spectral line profile, which was stimulated by the nucleus rotation, and which provides evidence for rapid deceleration and excitation of the rotation state. The measured rate of change in the rotation period is +1.00 ± 0.15 minutes day-1 and the period itself is 18.32 ± 0.03 hr, both applicable at the epoch of the EPOXI encounter. Surprisingly, the spin-down efficiency is lower by two orders of magnitude than the measurement in comet 9P/Tempel 1 and the best theoretical prediction. This secures rotational stability of the comet's nucleus during the next few returns, although we anticipate a catastrophic disruption from spin-up as its ultimate fate. Based on observations carried out with the IRAM 30 m, JCMT 15 m, and CSO 10.4 m telescopes. IRAM is supported by INSU/CNRS (France), MPG (Germany), and IGN (Spain). JCMT is operated by Joint Astronomy Centre and supported by STFC (UK), NRC (Canada), and NWO (Netherlands). CSO is operated by Caltech and supported through NSF grant AST-0540882 (USA).
Using Diffusion Monte Carlo to Probe the Rotationally Excited States of H_3^+ and its Isotopologues
NASA Astrophysics Data System (ADS)
Wellen, Bethany A.; Petit, Andrew S.; McCoy, Anne B.
2011-06-01
H3-ND_n^+ are among the most abundant polyatomic ions in the universe. Moreover, the deuterated isotopologues are thought to play a key role in the astrochemical reactions governing the H/D fractionation of "metallic" species in the interstellar medium. An accurate quantum mechanical treatment of these species, as well as any reactions involving them, requires a methodology capable of capturing their large fluxionality as well as the constraints, due to particle exchange symmetries, on their physically allowed rovibrational states. Diffusion Monte Carlo (DMC) has been shown to be a highly successful technique for treating quantum zero-point effects of very floppy molecules and clusters and our group has recently developed a fixed-node DMC methodology capable of including the effects of rotational excitation. Here, we report the results of DMC calculations of the rotationally excited states of H_3^+ and its isotopologues. In particular, comparison with converged variational calculations involving states with J ≤ 20 provides the most thorough test yet of the range of quantum states over which the assumptions underlying our rotationally excited state DMC methodology can be reliably applied. Finally, the implications of this work on our overall goal of using DMC based methodologies to map out the energetics of the reaction of H3-ND_n^+ with HD will be discussed. T. R. Geballe and T. Oka, Science 312, 1610 (2006) E. Hugo, O. Asvany, and S. Schlemmer, J. Chem. Phys. 130, 164302 (2009) A. S. Petit and A. B. McCoy, J. Phys. Chem. A 113, 12706 (2009)
Steady-State Computation of Constant Rotational Rate Dynamic Stability Derivatives
NASA Technical Reports Server (NTRS)
Park, Michael A.; Green, Lawrence L.
2000-01-01
Dynamic stability derivatives are essential to predicting the open and closed loop performance, stability, and controllability of aircraft. Computational determination of constant-rate dynamic stability derivatives (derivatives of aircraft forces and moments with respect to constant rotational rates) is currently performed indirectly with finite differencing of multiple time-accurate computational fluid dynamics solutions. Typical time-accurate solutions require excessive amounts of computational time to complete. Formulating Navier-Stokes (N-S) equations in a rotating noninertial reference frame and applying an automatic differentiation tool to the modified code has the potential for directly computing these derivatives with a single, much faster steady-state calculation. The ability to rapidly determine static and dynamic stability derivatives by computational methods can benefit multidisciplinary design methodologies and reduce dependency on wind tunnel measurements. The CFL3D thin-layer N-S computational fluid dynamics code was modified for this study to allow calculations on complex three-dimensional configurations with constant rotation rate components in all three axes. These CFL3D modifications also have direct application to rotorcraft and turbomachinery analyses. The modified CFL3D steady-state calculation is a new capability that showed excellent agreement with results calculated by a similar formulation. The application of automatic differentiation to CFL3D allows the static stability and body-axis rate derivatives to be calculated quickly and exactly.
Accurate intermolecular ground state potential of the Ne-N2 van der Waals complex.
Munteanu, Cristian R; López Cacheiro, Javier; Fernández, Berta
2004-05-15
Ab initio ground state potential energy surfaces are obtained from interaction energies calculated with the coupled cluster singles and doubles model including connected triples corrections [CCSD(T)] and the aug-cc-pVXZ (X=5,Q,T,D) basis sets augmented with two different sets of midbond functions (denoted 33221 and 33211). The aug-cc-pV5Z-33221 surface is characterized by a T-shaped 49.5 cm(-1) minimum at Re=3.38 Angstroms and a linear saddle point at 3.95 Angstroms with De=36.6 cm(-1). These results agree well with the values provided by the accurate semiempirical potentials available. The rovibronic spectroscopic properties are determined and compared to the available experimental data and previous theoretical results. We study the basis set convergence of the intermolecular potentials and the rotational frequencies. The aug-cc-pVTZ basis sets provide reasonable binding parameters, but seem not to be converged enough for the evaluation of the microwave spectra. The aug-cc-pVQZ basis sets considerably improve the triple zeta results. The differences between the results obtained with the aug-cc-pVTZ-33221 basis set surface and those with the aug-cc-pVQZ-33221 are smaller than those of the corresponding bases with the set of 33211 midbond functions. The aug-cc-pVQZ surfaces are close to the aug-cc-pV5Z, that are expected to be close to convergence. With our best surfaces the errors in the frequencies with respect to the accurate experimental results go down to 0.6%.
Ground-state features in the THz spectra of molecular clusters of β-HMX.
Huang, Lulu; Shabaev, Andrew; Lambrakos, Samuel G; Massa, Lou
2012-10-01
We present calculations of absorption spectra arising from molecular vibrations at THz frequencies for molecular clusters of the explosive HMX using density functional theory (DFT). The features of these spectra can be shown to follow from the coupling of vibrational modes. In particular, the coupling among ground-state vibrational modes provides a reasonable molecular-level interpretation of spectral features associated with the vibrational modes of molecular clusters. THz excitation from the ground state is associated with frequencies that characteristically perturb molecular electronic states, in contrast to frequencies, which are usually substantially above the mid-infrared (mid-IR) range, that can induce appreciable electronic-state transition. Owing to this characteristic of THz excitation, one is able to make a direct association between local oscillations about ground-state minima of molecules, either isolated or comprising a cluster, and THz absorption spectra. The DFT software program GAUSSIAN was used for the calculations of the absorption spectra presented here.
Terahertz spectroscopy on Faraday and Kerr rotations in a quantum anomalous Hall state
Okada, Ken N.; Takahashi, Youtarou; Mogi, Masataka; Yoshimi, Ryutaro; Tsukazaki, Atsushi; Takahashi, Kei S.; Ogawa, Naoki; Kawasaki, Masashi; Tokura, Yoshinori
2016-01-01
Electrodynamic responses from three-dimensional topological insulators are characterized by the universal magnetoelectric term constituent of the Lagrangian formalism. The quantized magnetoelectric coupling, which is generally referred to as topological magnetoelectric effect, has been predicted to induce exotic phenomena including the universal low-energy magneto-optical effects. Here we report the experimental indication of the topological magnetoelectric effect, which is exemplified by magneto-optical Faraday and Kerr rotations in the quantum anomalous Hall states of magnetic topological insulator surfaces by terahertz magneto-optics. The universal relation composed of the observed Faraday and Kerr rotation angles but not of any material parameters (for example, dielectric constant and magnetic susceptibility) well exhibits the trajectory towards the fine structure constant in the quantized limit. PMID:27436710
Terahertz spectroscopy on Faraday and Kerr rotations in a quantum anomalous Hall state
NASA Astrophysics Data System (ADS)
Okada, Ken N.; Takahashi, Youtarou; Mogi, Masataka; Yoshimi, Ryutaro; Tsukazaki, Atsushi; Takahashi, Kei S.; Ogawa, Naoki; Kawasaki, Masashi; Tokura, Yoshinori
2016-07-01
Electrodynamic responses from three-dimensional topological insulators are characterized by the universal magnetoelectric term constituent of the Lagrangian formalism. The quantized magnetoelectric coupling, which is generally referred to as topological magnetoelectric effect, has been predicted to induce exotic phenomena including the universal low-energy magneto-optical effects. Here we report the experimental indication of the topological magnetoelectric effect, which is exemplified by magneto-optical Faraday and Kerr rotations in the quantum anomalous Hall states of magnetic topological insulator surfaces by terahertz magneto-optics. The universal relation composed of the observed Faraday and Kerr rotation angles but not of any material parameters (for example, dielectric constant and magnetic susceptibility) well exhibits the trajectory towards the fine structure constant in the quantized limit.
Terahertz spectroscopy on Faraday and Kerr rotations in a quantum anomalous Hall state.
Okada, Ken N; Takahashi, Youtarou; Mogi, Masataka; Yoshimi, Ryutaro; Tsukazaki, Atsushi; Takahashi, Kei S; Ogawa, Naoki; Kawasaki, Masashi; Tokura, Yoshinori
2016-01-01
Electrodynamic responses from three-dimensional topological insulators are characterized by the universal magnetoelectric term constituent of the Lagrangian formalism. The quantized magnetoelectric coupling, which is generally referred to as topological magnetoelectric effect, has been predicted to induce exotic phenomena including the universal low-energy magneto-optical effects. Here we report the experimental indication of the topological magnetoelectric effect, which is exemplified by magneto-optical Faraday and Kerr rotations in the quantum anomalous Hall states of magnetic topological insulator surfaces by terahertz magneto-optics. The universal relation composed of the observed Faraday and Kerr rotation angles but not of any material parameters (for example, dielectric constant and magnetic susceptibility) well exhibits the trajectory towards the fine structure constant in the quantized limit. PMID:27436710
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.
Accurate Potential Energy Curves for the Ground Electronic States of NeH^{+} and ArH^{+}
NASA Astrophysics Data System (ADS)
Coxon, John A.; Hajigeorgiou, Photos G.
2013-06-01
All available microwave and infrared spectroscopic line positions for the ground electronic states of the molecular cations NeH^{+} and ArH^{+} were employed in a direct potential fitting procedure to determine compact analytical potential curves and radial functions describing breakdown of the Born-Oppenheimer approximation. For NeH^{+}, 17 adjustable parameters were required to represent a total of 183 line positions for 4 isotopologues, whereas for ArH^{+}, 23 adjustable parameters were required to represent 440 line positions for 6 isotopologues. The MLR3 potential energy functional form was employed, taking full account of the proper 1/r{^4} limiting long-range dependence of the ion-atom dispersion energy interactions. Accurate vibrational energies, rotational constants and centrifugal distortion constants have been calculated for both diatomic cations.
Mott Insulating Ground State on a Triangular Surface Lattice
Weitering, H.; Shi, X.; Weitering, H.; Johnson, P.; Chen, J.; DiNardo, N.; DiNardo, N.; Kempa, K.
1997-02-01
Momentum-resolved direct and inverse photoemission spectra of the K/Si(111)-({radical}(3){times}{radical}(3))R30{degree}-B interface reveals the presence of strongly localized surface states. The K overlayer remains nonmetallic up to the saturation coverage. This system most likely presents the first experimental realization of a frustrated spin 1/2 Heisenberg antiferromagnet on a two-dimensional triangular lattice. {copyright} {ital 1997} {ital The American Physical Society}
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…
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.
Tillman, Fred D; Leake, Stanley A.; Flynn, Marilyn E.; Cordova, Jeffrey T.; Schonauer, Kurt T.; Dickinson, Jesse E.
2008-01-01
Monitoring the status and trends in the availability of the Nation's ground-water supplies is important to scientists, planners, water managers, and the general public. This is especially true in the semiarid to arid southwestern United States where rapid population growth and limited surface-water resources have led to increased use of ground-water supplies and water-level declines of several hundred feet in many aquifers. Individual well observations may only represent aquifer conditions in a limited area, and wells may be screened over single or multiple aquifers, further complicating single-well interpretations. Additionally, changes in ground-water conditions may involve time scales ranging from days to many decades, depending on the timing of recharge, soil and aquifer properties, and depth to the water table. The lack of an easily identifiable ground-water property indicative of current conditions, combined with differing time scales of water-level changes, makes the presentation of ground-water conditions a difficult task, particularly on a regional basis. One approach is to spatially present several indicators of ground-water conditions that address different time scales and attributes of the aquifer systems. This report describes several methods and indicators for presenting differing aspects of ground-water conditions using water-level observations in existing data-sets. The indicators of ground-water conditions developed in this study include areas experiencing water-level decline and water-level rise, recent trends in ground-water levels, and current depth to ground water. The computer programs written to create these indicators of ground-water conditions and display them in an interactive geographic information systems (GIS) format are explained and results illustrated through analyses of ground-water conditions for selected alluvial basins in the Lower Colorado River Basin in Arizona.
Ground-state properties of linear-exchange quantum spin models
NASA Astrophysics Data System (ADS)
Danu, Bimla; Kumar, Brijesh; Pai, Ramesh V.
2012-10-01
We study a class of one-dimensional antiferromagnetic quantum spin-1/2 models using DMRG. The exchange interaction in these models decreases linearly with the separation between the spins, Jij = R - |i - j| for |i - j| < R, where R is a positive integer ⩾2. For |i - j| ⩾ R, the interaction is zero. It is known that all the odd-R models have the same exact dimer ground state as the Majumdar-Ghosh (MG) model. In fact, R = 3 is the MG model. However, for an even R, the exact ground state is not known in general, except for R = 2 (the integrable nearest-neighbor Heisenberg chain) and the asymptotic limit of R in which the MG dimer state emerges as the exact ground state. Therefore, we numerically study the ground-state properties of the finite even-R ≠ 2 models, particularly for R = 4, 6 and 8. We find that, unlike R = 2, the higher even-R models are spin-gapped, and exhibit robust dimer order of the MG type in the ground state. The spin-spin correlations decay rapidly to zero, albeit showing weak periodic revivals.
Observation of γ-vibrations and alignments built on non-ground-state configurations in ¹⁵⁶Dy
Zhu, C. -H.; Hartley, D. J.; Riedinger, L. L.; Sharpey-Schafer, J. F.; Almond, J. M.; Beausang, C.; Carpenter, M. P.; Chiara, C. J.; Cooper, N.; Curien, D.; Gall, B. J. P.; Garrett, P. E.; Janssens, R. V. F.; Kondev, F. G.; Kulp, W. D.; Lauritsen, T.; McCutchan, E. A.; Miller, D.; Piot, J.; Redon, N.; Riley, M. A.; Simpson, J.; Stefanescu, I.; Werner, V.; Wang, X.; Wood, J. L.; Majola, S. N. T.; Zhu, S.
2015-03-26
The exact nature of the lowest K^{π}=2⁺ rotational bands in all deformed nuclei remains obscure. Traditionally they are assumed to be collective vibrations of the nuclear shape in the γ degree of freedom perpendicular to the nuclear symmetry axis. Very few such γ-bands have been traced past the usual back-bending rotational alignments of high-j nucleons. We have investigated the structure of positive-parity bands in the N=90 nucleus ¹⁵⁶Dy, using the ¹⁴⁸Nd(¹²C,4n)¹⁵⁶Dy reaction at 65 MeV, observing the resulting γ-ray transitions with the Gammasphere array. The even- and odd-spin members of the ^{π}=2⁺ γ-band are observed to 32⁺ and 31⁺ respectively. This rotational band faithfully tracks the ground-state configuration to the highest spins. The members of a possible γ-vibration built on the aligned yrast S-band are observed to spins 28⁺ and 27⁺. An even-spin positive-parity band, observed to spin 24⁺, is a candidate for an aligned S-band built on the seniority-zero configuration of the 0₂⁺ state at 676 keV. As a result, the crossing of this band with the 0₂⁺ band is at hw_{c} = 0.28(1) MeV and is consistent with the configuration of the 0₂⁺ band not producing any blocking of the monopole pairing.
Observation of γ-vibrations and alignments built on non-ground-state configurations in ¹⁵⁶Dy
Zhu, C. -H.; Hartley, D. J.; Riedinger, L. L.; Sharpey-Schafer, J. F.; Almond, J. M.; Beausang, C.; Carpenter, M. P.; Chiara, C. J.; Cooper, N.; Curien, D.; et al
2015-03-26
The exact nature of the lowest Kπ=2⁺ rotational bands in all deformed nuclei remains obscure. Traditionally they are assumed to be collective vibrations of the nuclear shape in the γ degree of freedom perpendicular to the nuclear symmetry axis. Very few such γ-bands have been traced past the usual back-bending rotational alignments of high-j nucleons. We have investigated the structure of positive-parity bands in the N=90 nucleus ¹⁵⁶Dy, using the ¹⁴⁸Nd(¹²C,4n)¹⁵⁶Dy reaction at 65 MeV, observing the resulting γ-ray transitions with the Gammasphere array. The even- and odd-spin members of the π=2⁺ γ-band are observed to 32⁺ and 31⁺ respectively.more » This rotational band faithfully tracks the ground-state configuration to the highest spins. The members of a possible γ-vibration built on the aligned yrast S-band are observed to spins 28⁺ and 27⁺. An even-spin positive-parity band, observed to spin 24⁺, is a candidate for an aligned S-band built on the seniority-zero configuration of the 0₂⁺ state at 676 keV. As a result, the crossing of this band with the 0₂⁺ band is at hwc = 0.28(1) MeV and is consistent with the configuration of the 0₂⁺ band not producing any blocking of the monopole pairing.« less
{alpha} decay of nuclei in the range 67{<=}Z{<=}91 from the ground state and isomeric state
Santhosh, K. P.; Joseph, Jayesh George; Sahadevan, Sabina
2010-12-15
The Coulomb and proximity potential model for deformed nuclei (CPPMDN) is used to study the favored and unfavored {alpha} decay of nuclei in the range 67{<=}Z{<=}91 from both the ground state (g.s.) and isomeric state (i.s.). The computed half-lives are in good agreement with experimental data. The standard deviation of half-life is found to be 0.44. Geiger-Nuttall (GN) plots for various parent isotopes are studied. It is found that all four types of transitions (g.s.{yields}g.s., g.s.{yields}i.s., i.s.{yields}g.s., i.s.{yields}i.s.) lie on a straight line. The isomeric state {alpha} decay shows a behavior similar to that of the ground state and the nuclear structure of the isomeric states imitates that of the ground states. Some predictions are done for {alpha} transition from both ground and isomeric states, which will be useful for future experiments.
Ground states at the filling factors ν = 7 / 3 and 8 / 3 in the second Landau level
NASA Astrophysics Data System (ADS)
Ito, Toru; Shibata, Naokazu; Nomura, Kentaro; Department of Physics, Tohoku University Team
2013-03-01
The Laughlin state successfully describe the fractional quantum Hall state at ν = 1 / 3 in the lowest Landau level. However, it is known that the Laughlin wavefunction has little overlap with the ground state wavefunction at ν = 7 / 3 in the second Landau level. The ground states at ν = 7 / 3 and 8 / 3 are still unknown.To determine the ground states at these fillings, we use the exact diagonalization method and density-matrix renormalization group (DMRG) method. We calculate overlaps between the ground state and the trial wavefunctions, the ground state energies, and the ground-state pair-correlation functions. We find that the ground state wavefunction at ν = 8 / 3 have very high overlap between the parafermion state, and the ground state energy of the parafermion state is lower than that of the Laughlin state. Further, the short-range structures of pair-correlation functions are significantly different from that of the Lauglin state.From these results, we consider that the parafermion state is a strong candidate of the ground state at ν = 7 / 3 and ν = 8 / 3 .
Lafferty, Walter; Flaud, Jean-marie; Sams, Robert L.; Ngom, El Hadji A.
2008-11-01
A high resolution (0.0018 cm-1) Fourier transform instrument has been used to record the spectrum of an enriched 34S (95.3 %) sample of sulfur dioxide. A thorough analysis of the ν2, 2ν2 - ν2 , ν1, ν1 + ν2 - ν2, ν3, ν2 + ν3 - ν2, ν1 + ν2 and ν2 + ν3 bands has been carried out leading to a large set of assigned lines. From these lines ground state combination differences were obtained and fitted together with the existing microwave, millimeter, and terahertz rotational lines. An improved set of ground state rotational constants were obtained. Next, the upper state rotational levels were fitted. For the (010), (110), (011) states, a simple Watson type Hamilton sufficed. However, it was necessary to include explicitly interacting terms in the Hamiltonian matrix in order to fit the rotational levels of the (020), (100) and (101) states to within their experimental accuracy. More explicitly, it was necessary to use a ΔK=2 term to model the Fermi interaction between the (020) and (100) levels and a ΔK=3 term to model the Coriolis interaction between the (100) and (001) levels. Precise Hamiltonian constants were derived for the (000), (010), (100), (001), (020), (110) and (011) vibrational states.
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.
Ab initio calculations of the ground and excited states of I 2- and ICl -
NASA Astrophysics Data System (ADS)
Maslen, P. E.; Faeder, J.; Parson, R.
1996-12-01
We performed all-electron ab initio calculations of the first six states of I 2- and ICl - using a multi-reference configuration interaction method. Spin-orbit coupling is included via an empirical one-electron operator and has a large effect on the dissociation energy. The ground state dissociation energies were in error by 20-30%, probably due to deficiencies in the one electron basis sets. The electronic wavefunctions at the equilibrium geometry were used to calculate the electronic absorption spectrum from the ground state, and good agreement was found with the experimental data.
Robinson, A P; Woods, P J; Seweryniak, D; Davids, C N; Carpenter, M P; Hecht, A A; Peterson, D; Sinha, S; Walters, W B; Zhu, S
2005-07-15
Ground-state proton radioactivity has been identified from 121Pr. A transition with a proton energy of E(p)=882(10) keV [Q(p)=900(10) keV] and half-life t(1/2)=10(+6)(-3) ms has been observed and is assigned to the decay of a highly prolate deformed 3/2(+) or 3/2(-) Nilsson state. The present result is found to be incompatible with a previously reported observation of ground-state proton radioactivity from 121Pr, which would have represented the discovery of this phenomenon.
Learning Approach on the Ground State Energy Calculation of Helium Atom
Shah, Syed Naseem Hussain
2010-07-28
This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function.The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.
Learning Approach on the Ground State Energy Calculation of Helium Atom
NASA Astrophysics Data System (ADS)
Shah, Syed Naseem Hussain
2010-07-01
This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function. The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.
Formation of antihydrogen in the ground state and {ital n}=2 level
Tripathi, S.; Biswas, R.; Sinha, C.
1995-05-01
The cross sections of antihydrogen formation in the ground state and {ital n}=2 level by the impact of antiprotons on the ground state of positronium have been calculated under the framework of the eikonal approximation for incident energy of 30--1000 keV. The excited-state capture cross sections are quite appreciable and are even larger than the ground-state cross sections for impact energies {le}75 keV. The total eikonal cross sections ({sigma}={sigma}{sub 1{ital s}}+{sigma}{sub 2{ital s}}+{sigma}{sub 2{ital p}}) are always higher than the corresponding first-order Born approximation cross section throughout the present energy span.
Ground state and magnetic susceptibility of intermediate-valence Tm impurities
NASA Astrophysics Data System (ADS)
Allub, R.; Aligia, A. A.
1995-09-01
We consider the appropriate generalization of the Anderson model for a Tm impurity in a cubic crystal field. In the 4f12 configuration we include only the two multiplets of lowest energy: a single Γ1 and a triplet Γ4. Similarly we include only the doublet ground state of the 4f13 configuration, and (to make our numerical method feasible) we assume that the conduction-electron partial waves with symmetry Γ8 can be neglected. We study the model using Wilson's renormalization group. The resulting ground state is a singlet or a doublet depending mainly of the relative strength of the hybridization of the 4f13 doublet with both 4f12 states. A doublet ground state is consistent with the experimental evidence.
NASA Astrophysics Data System (ADS)
Sebastian, Suchitra
2015-03-01
Over the last few years, evidence has gradually built for a charge ordered normal ground state in the underdoped region of the cuprate high temperature superconductors. I will address the electronic structure of the normal ground state of the underdoped cuprates as accessed by quantum oscillations, and relate it to complementary measurements by other experimental techniques. The interplay of the charge ordered ground state with the antinodal gapped pseudogap state, and overarching magnetic and superconducting correlations will be further explored. This work was performed in collaboration with N. Harrison, G. G. Lonzarich, B. J. Ramshaw, B. S. Tan, P. A. Goddard, F. F. Balakirev, C. H. Mielke, R. Liang, D. A. Bonn, and W. N. Hardy
Fine structure of alpha decay to rotational states of heavy nuclei
Wang, Y. Z.; Dong, J. M.; Peng, B. B.; Zhang, H. F.
2010-06-15
To gain a better insight into alpha-decay fine structure, we calculate the relative intensities of alpha decay to 2{sup +} and 4{sup +} rotational states in the framework of the generalized liquid drop model (GLDM) and improved Royer's formula. The calculated relative intensities of alpha decay to 2{sup +} states are in good agreement with the experimental data. For the relative intensities of alpha decay to 4{sup +} states, a good agreement with experimental data is achieved for Th and U isotopes. The formula we obtain is useful for the analysis of experimental data of alpha-decay fine structure. In addition, some predicted relative intensities which are still not measured are provided for future experiments.
Ground Water Atlas of the United States: Introduction and National Summary
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
Hydrogeologic factors that influence ground water movement in the desert southwest United States
Chuang, Frank C.; McKee, Edwin H.; Howard, Keith A.
2003-01-01
A project to study ground-water and surface-water interactions in the desert southwestern United States was initiated in 2001 by the Tucson, Arizona office of the Water Resources Division, U.S. Geological Survey (USGS). One of the goals of the Southwest Ground-water Resources Project was to develop a regional synthesis that includes the use of available digital geologic data, which is growing rapidly due to the increasing use of Geographic Information Systems (GIS). Included in this report are the digital maps and databases of geologic information that should have a direct impact on the studies of ground-water flow and surface-water interaction. Ground-water flow is governed by many geologic factors or elements including rock and soil permeability, stratigraphy and structural features. These elements directly influence ground-water flow, which is key to understanding the possible inter-connectivity of aquifer systems in desert basins of the southwestern United States. We derive these elements from the evaluation of regional geology and localized studies of hydrogeologic basins. These elements can then be applied to other unstudied areas throughout the desert southwest. This report presents a regional perspective of the geologic elements controlling ground-water systems in the desert southwest that may eventually lead to greater focus on smaller sub-regions and ultimately, to individual ground-water basins.
Stability and related properties of vacua and ground states
Wreszinski, Walter F. Jaekel, Christian D.
2008-02-15
We consider the formal non-relativistic limit (nrl) of the :{phi}{sup 4}:{sub s+1} relativistic quantum field theory (rqft), where s is the space dimension. Following the work of R. Jackiw [R. Jackiw, in: A. Ali, P. Hoodbhoy (Eds.), Beg Memorial Volume, World Scientific, Singapore, 1991], we show that, for s = 2 and a given value of the ultraviolet cutoff {kappa}, there are two ways to perform the nrl: (i) fixing the renormalized mass m{sup 2} equal to the bare mass m{sub 0}{sup 2}; (ii) keeping the renormalized mass fixed and different from the bare mass m{sub 0}{sup 2}. In the (infinite-volume) two-particle sector the scattering amplitude tends to zero as {kappa} {yields} {infinity} in case (i) and, in case (ii), there is a bound state, indicating that the interaction potential is attractive. As a consequence, stability of matter fails for our boson system. We discuss why both alternatives do not reproduce the low-energy behaviour of the full rqft. The singular nature of the nrl is also nicely illustrated for s = 1 by a rigorous stability/instability result of a different nature.
NASA Astrophysics Data System (ADS)
Morii, Y.; Sukedai, M.; Ohashi, S.
2011-11-01
The hybrid magnetic bearing using permanent magnets and the high-Tc bulk superconductor (HTSC) has been developed. Repulsive force of the permanent magnet is introduced to increase the load weight of the magnetic bearing. Effect of the hybrid system has been shown. In this paper, influence of the hybrid system on the dynamic characteristics of the rotor is studied. The rotational characteristics in the mechanical resonance state are studied, and the equivalent magnetic spring coefficient is estimated from the experimental results of the load weight. The resonance frequency is measured by the rotation experiments. The rotor achieves stable levitation even in the resonance state. In the hybrid system, effect of the pinning force becomes smaller than that of the lateral force generated by the repulsive force between the two permanent magnets at the smaller air gap. Thus influence of the lateral vibration and the gradient angle in the resonance state becomes larger at a smaller air gap. The equivalent magnetic spring coefficient becomes also small, and the resonance frequency becomes small in the hybrid bearing system.
Level statistics of near-yrast states in rapidly rotating nuclei
NASA Astrophysics Data System (ADS)
Matsuo, M.; Døssing, T.; Vigezzi, E.; Åberg, S.
1997-02-01
The nearest neighbour level spacing distribution and the Δ3 statistic of level fluctuations associated with very high spin states ( I ≳ 30) in rare-earth deformed nuclei are analysed by means of a cranked shell model. The many particle-many hole configurations created in the rotating Nilsson potential are mixed by the surface-delta two-body residual interaction. The levels in the near-yrast region show a Poisson-like level spacing distribution. As the intrinsic excitation energy U increases, the level statistics shows a gradual transition from order to chaos, reaching at U ≳ 2 MeV the Wigner distribution typical-of the Gaussian orthogonal ensemble of random matrices. This transition is caused by the residual two-body interaction. On the other hand, the level spacings between the yrast and the first excited state show a peculiar behaviour, displaying a Wigner-like distribution instead of the Poisson-like distribution seen for the other near-yrast rotational states. The lowest spacings reflect the properties of the single-particle orbits in the mean-field, and are only weakly affected by the residual two-body interaction.
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.
Precision molecular spectroscopy for ground state transfer of molecular quantum gases.
Danzl, Johann G; Mark, Manfred J; Haller, Elmar; Gustavsson, Mattias; Bouloufa, Nadia; Dulieu, Olivier; Ritsch, Helmut; Hart, Russell; Nägerl, Hanns-Christoph
2009-01-01
One possibility for the creation of ultracold, high phase space density quantum gases of molecules in the rovibronic ground state relies on first associating weakly-bound molecules from quantum-degenerate atomic gases on a Feshbach resonance and then transferring the molecules via several steps of coherent two-photon stimulated Raman adiabatic passage (STIRAP) into the rovibronic ground state. Here, in ultracold samples of Cs2 Feshbach molecules produced out of ultracold samples of Cs atoms, we observe several optical transitions to deeply-bound rovibrational levels of the excited 0(u)+ molecular potentials with high resolution. At least one of these transitions, although rather weak, allows efficient STIRAP transfer into the deeply-bound vibrational level (see text for symbols)v = 73 > of the singlet X1 sigma(g)+ ground state potential, as recently demonstrated (J. G. Danzl, E. Haller, M. Gustavsson, M. J. Mark, R. Hart, N. Bouloufa, O. Dulieu, H. Ritsch, and H.-C. Nägerl, Science, 2008, 321, 1062). From this level, the rovibrational ground state (see text for symbols)v = 0, J = 0 > can be reached with one more transfer step. In total, our results show that coherent ground state transfer for Cs2 is possible using a maximum of two successive two-photon STIRAP processes or one single four-photon STIRAP process. PMID:20151549
Interactions leading to disordered ground states and unusual low-temperature behavior.
Batten, Robert D; Stillinger, Frank H; Torquato, Salvatore
2009-09-01
We have shown that any pair potential function v(r) possessing a Fourier transform V(k) that is positive and has compact support at some finite wave number K yields classical disordered ground states for a broad density range [R. D. Batten, F. H. Stillinger, and S. Torquato, J. Appl. Phys. 104, 033504 (2008)]. By tuning a constraint parameter chi (defined in the text), the ground states can traverse varying degrees of local order from fully disordered to crystalline ground states. Here, we show that in two dimensions, the " k -space overlap potential," where V(k) is proportional to the intersection area between two disks of diameter K whose centers are separated by k , yields anomalous low-temperature behavior, which we attribute to the topography of the underlying energy landscape. At T=0 , for the range of densities considered, we show that there is continuous energy degeneracy among Bravais-lattice configurations. The shear elastic constant of ground-state Bravais-lattice configurations vanishes. In the harmonic regime, a significant fraction of the normal modes for both amorphous and Bravais-lattice ground states have vanishing frequencies, indicating the lack of an internal restoring force. Using molecular-dynamics simulations, we observe negative thermal-expansion behavior at low temperatures, where upon heating at constant pressure, the system goes through a density maximum. For all temperatures, isothermal compression reduces the local structure of the system unlike typical single-component systems. PMID:19905060
Creation of an Ultracold Gas of Ground-State Dipolar 23Na 87 Molecules
NASA Astrophysics Data System (ADS)
Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier; Wang, Dajun
2016-05-01
We report the successful production of an ultracold sample of absolute ground-state 23Na 87Rb molecules. Starting from weakly bound Feshbach molecules formed via magnetoassociation, the lowest rovibrational and hyperfine level of the electronic ground state is populated following a high-efficiency and high-resolution two-photon Raman process. The high-purity absolute ground-state samples have up to 8000 molecules and densities of over 1011 cm-3 . By measuring the Stark shifts induced by external electric fields, we determined the permanent electric dipole moment of the absolute ground-state 23Na 87Rb and demonstrated the capability of inducing an effective dipole moment over 1 D. Bimolecular reaction between ground-state 23Na 87Rb molecules is endothermic, but we still observed a rather fast decay of the molecular sample. Our results pave the way toward investigation of ultracold molecular collisions in a fully controlled manner and possibly to quantum gases of ultracold bosonic molecules with strong dipolar interactions.
Creation of an Ultracold Gas of Ground-State Dipolar ^{23}Na^{87}Rb Molecules.
Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier; Wang, Dajun
2016-05-20
We report the successful production of an ultracold sample of absolute ground-state ^{23}Na^{87}Rb molecules. Starting from weakly bound Feshbach molecules formed via magnetoassociation, the lowest rovibrational and hyperfine level of the electronic ground state is populated following a high-efficiency and high-resolution two-photon Raman process. The high-purity absolute ground-state samples have up to 8000 molecules and densities of over 10^{11} cm^{-3}. By measuring the Stark shifts induced by external electric fields, we determined the permanent electric dipole moment of the absolute ground-state ^{23}Na^{87}Rb and demonstrated the capability of inducing an effective dipole moment over 1 D. Bimolecular reaction between ground-state ^{23}Na^{87}Rb molecules is endothermic, but we still observed a rather fast decay of the molecular sample. Our results pave the way toward investigation of ultracold molecular collisions in a fully controlled manner and possibly to quantum gases of ultracold bosonic molecules with strong dipolar interactions. PMID:27258875
Rotational 2+ states of superheavy elements in the Skyrme-Hartree-Fock-Bogoliubov model
NASA Astrophysics Data System (ADS)
Baran, A.; Staszczak, A.
2013-05-01
The Skyrme-Hartree-Fock-Bogoliubov calculations of the energies of first 2+ rotational states of deformed superheavy (SH) elements in the region of 108 ⩽ Z ⩽ 126 and 148 ⩽ N ⩽ 180 are reported. The results agree well in the case of fermium isotopes after a proper scaling of the moment of inertia. The scaling factor equals 1.3. The extension of the model to the region of SH elements gives a possibility of better estimation of the Q-values of α-decay, which is a dominant decay mode of SH elements.
Vibrational and Rotational Structure and Excited-State Dynamics of Pyrene
NASA Astrophysics Data System (ADS)
Kowaka, Yasuyuki; Ashizawa, Nolitaka; Baba, Masaaki
2010-06-01
Pyrene is one of the prototypical compact polycyclic aromatic hydrocarbons (PAHs), and It is important to investigate its molecular structure precisely, because it does not conform to Hückel's 4n+2 rule. We analyzed high-resolution and ultrahigh-resolution spectra of jet-cooled pyrene and elucidated the vibrational and rotational structures in the S_0 ^1A_g and S_1 ^1B3u states. We conclude that the molecule is planar with D2h symmetry. The rotational constants and vibrational normal energies are very similar for the S_0 and S_1 states, indicating that its geometrical structure and potential energy curves are not changed much upon electronic excitation. This small change is common to large PAH molecules because the changes of bond orders by one electron excitation is diluted with a large number of π electrons. The rates of Radiationless transitions in the S_1 state are closely related with the molecular structure and the potential energy curves. Intersystem crossing (ISC) to the triplet state is expected to be very slow in planar PAHs. Internal conversion (IC) to the S_0 state does not occur, if the molecular structure and potential energy curves are identical for the S_0 and S_1 states. In perylene, the fluorescence lifetime is 1400 ns, and the fluorescence quantum yield is considerably high. These properties are attributed to its small changes in molecular structure and potential energy curves upon S_1 ← S_0 excitation. M. Baba, Y. Kowaka et al., J. Chem. Phys., 131, 224318 (2009)
Boron: do we know the ground state structure?
NASA Astrophysics Data System (ADS)
Ogitsu, Tadashi
2006-03-01
Boron is only the fifth element in the periodic table, having a simple electronic configuration, yet, it is known to form one of the most complicated crystal structures, β-rhombohedral structure. Up to date, the best estimate on the number of atoms in its hexagonal unit cell is 320.1, not even an integer number. The key concept to understand its complexity is covalency and electron deficiency: It does not have enough valence electrons to form a simple covalent crystal, like carbon or silicon. Instead it forms a complicated packing of icosahedrons. The structural model of β-boron was developed in the 1960s based on X-ray experiment. Although this model structure captures the most of the structural characteristics of β-boron, it has a crucial pitfall; the number of atoms per cell estimated by X-ray experiment does not agree with the number of atoms estimated by the pycnometric density. In 1988, Slack et al. discovered four more POS, by which the discrepancy in the number of atoms is reconciled [J. of Solid State Chem. 76, 52 (1988)]. There still remains an unanswered question; how are these POS atoms configured? Is it completely random? Or there is some kind of order as it has been suggested in Slack’s paper? A major challenge here is the astronomical number of possible configurations, roughly 150 million even for the irreducible cell. We tackle this problem using ab-initio simulated annealing coupled with a Lattice Model Monte Carlo simulated annealing. Our results reveal that the stable structure, indeed, has a certain type of correlation in its POS configuration. More detail on the structural property and its impact on electronic property of β-boron will be discussed at the presentation. This work was performed under the auspices of the U.S. Dept. of Energy at the University of California/ LLNL under contract no. W-7405-Eng-48.
NASA Technical Reports Server (NTRS)
Abel, Bernd; Coy, Stephen L.; Klaassen, Jody J.; Steinfeld, Jeffrey I.
1992-01-01
The state-resolved rotational (R-R, R-T) energy transfer in (N-14)H3 (for NH3-NH3 and NH3-Ar collisions) was studied using an IR double-resonance laser spectroscopic technique. Measurements of both the total rate of depopulation by collisions, and the rates of transfer into specific final rovibrational states (v,J,K) were performed using time-resolved tunable diode laser absorption spectroscopy. A kinetic master-equation analysis of time-resolved level populatons was carried out, yielding state-to-state rate constants and propensity rules for NH3-NH3 and NH3-Ar collisions.
Anomalous magnetic hyperfine structure of the 229Th ground-state doublet in muonic atoms
NASA Astrophysics Data System (ADS)
Tkalya, E. V.
2016-07-01
The magnetic hyperfine (MHF) splitting of the ground and low-energy 3 /2+(7.8 ±0.5 eV) levels in the 229Th nucleus in the muonic atom (μ1S1 /2 -229Th) * is calculated considering the distribution of the nuclear magnetization in the framework of the collective nuclear model with wave functions of the Nilsson model for the unpaired neutron. It is shown that (a) deviation of the MHF structure of the isomeric state exceeds 100% from its value for a pointlike nuclear magnetic dipole (the order of sublevels is reversed); (b) partial inversion of levels of the 229Th ground-state doublet and spontaneous decay of the ground state to the isomeric state occur; (c) the E 0 transition, which is sensitive to differences in the mean-square charge radii of the doublet states, is possible between mixed sublevels with F =2 ; and (d) MHF splitting of the 3 /2+ isomeric state may be in the optical range for certain values of the intrinsic gK factor and a reduced probability of a nuclear transition between the isomeric and the ground states.
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.
Security proof of a three-state quantum-key-distribution protocol without rotational symmetry
Fung, C.-H.F.; Lo, H.-K.
2006-10-15
Standard security proofs of quantum-key-distribution (QKD) protocols often rely on symmetry arguments. In this paper, we prove the security of a three-state protocol that does not possess rotational symmetry. The three-state QKD protocol we consider involves three qubit states, where the first two states |0{sub z}> and |1{sub z}> can contribute to key generation, and the third state |+>=(|0{sub z}>+|1{sub z}>)/{radical}(2) is for channel estimation. This protocol has been proposed and implemented experimentally in some frequency-based QKD systems where the three states can be prepared easily. Thus, by founding on the security of this three-state protocol, we prove that these QKD schemes are, in fact, unconditionally secure against any attacks allowed by quantum mechanics. The main task in our proof is to upper bound the phase error rate of the qubits given the bit error rates observed. Unconditional security can then be proved not only for the ideal case of a single-photon source and perfect detectors, but also for the realistic case of a phase-randomized weak coherent light source and imperfect threshold detectors. Our result in the phase error rate upper bound is independent of the loss in the channel. Also, we compare the three-state protocol with the Bennett-Brassard 1984 (BB84) protocol. For the single-photon source case, our result proves that the BB84 protocol strictly tolerates a higher quantum bit error rate than the three-state protocol, while for the coherent-source case, the BB84 protocol achieves a higher key generation rate and secure distance than the three-state protocol when a decoy-state method is used.
NASA Astrophysics Data System (ADS)
Joshi, Sunita; Pant, Debi D.
2012-06-01
Ground and excited state dipole moments of probe quinine sulphate (QS) was obtained using Solvatochromic shift method. Higher dipole moment is observed for excited state as compared to the ground state which is attributed to the higher polarity of excited state.
Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet
Fu, Mingxuan; Imai, Takahashi; Han, Tian -Heng; Lee, Young S.
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 [ZnCu3(OH)6Cl2], 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. Combined with themore » magnetic field dependence of χkagome 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
Evidence for a gapped spin-liquid ground state in a kagome Heisenberg antiferromagnet.
Fu, Mingxuan; Imai, Takashi; Han, Tian-Heng; Lee, Young S
2015-11-01
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 [ZnCu3(OH)6Cl2], which is known to exhibit a spinon continuum in the spin excitation spectrum. We demonstrated that the intrinsic local spin susceptibility χ(kagome), 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. 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. PMID:26542565
Ordering and Magnetism in Fe-Co: Dense Sequence of Ground-State Structures
NASA Astrophysics Data System (ADS)
Drautz, Ralf; Díaz-Ortiz, Alejandro; Fähnle, Manfred; Dosch, Helmut
2004-08-01
We discover that Fe-Co alloys develop a series of ordered ground-state structures in addition to the known CsCl-type structure. This new set of structures is found from a combinatorial ground-state search of 1.5×1010 bcc-based structures. The energies of the searched bcc structures are constructed with the cluster expansion method from few first-principles calculations of ordered Fe-Co structures. The set of new ground-state structures is explained from the decay behavior of the cluster expansion coefficients which allows us to identify a simple geometric motif common to all structures. The appearance of these FeCo superstructures offers a broader view of the ordering reactions in bipartite-lattice based binary alloys.
The Network Source Location Problem: Ground State Energy, Entropy and Effects of Freezing
NASA Astrophysics Data System (ADS)
Huang, Haiping; Raymond, Jack; Wong, K. Y. Michael
2014-07-01
Ground state entropy of the network source location problem is evaluated at both the replica symmetric level and one-step replica symmetry breaking level using the entropic cavity method. The regime that is a focus of this study, is closely related to the vertex cover problem with randomly quenched covered nodes. The resulting entropic message passing inspired decimation and reinforcement algorithms are used to identify the optimal location of sources in single instances of transportation networks. The conventional belief propagation without taking the entropic effect into account is also compared. We find that in the glassy phase the entropic message passing inspired decimation yields a lower ground state energy compared to the belief propagation without taking the entropic effect. Using the extremal optimization algorithm, we study the ground state energy and the fraction of frozen hubs, and extend the algorithm to collect statistics of the entropy. The theoretical results are compared with the extremal optimization results.
Ground State Properties of the 1/2 Flux Harper Hamiltonian
NASA Astrophysics Data System (ADS)
Kennedy, Colin; Burton, William Cody; Chung, Woo Chang; Ketterle, Wolfgang
2015-05-01
The Harper Hamiltonian describes the motion of charged particles in an applied magnetic field - the spectrum of which exhibits the famed Hofstadter's butterfly. Recent advances in driven optical lattices have made great strides in simulating nontrivial Hamiltonians, such as the Harper model, in the time-averaged sense. We report on the realization of the ground state of bosons in the Harper Hamiltonian for 1/2 flux per plaquette utilizing a tilted two-dimensional lattice with laser assisted tunneling. We detail progress in studying various ground state properties of the 1/2 flux Harper Hamiltonian including ground state degeneracies, gauge-dependent observables, effects of micromotion, adiabatic loading schemes, and emergence and decay of coherence. Additionally, we describe prospects for flux rectification using a period-tripled superlattice and generalizations to three dimensions. MIT-Harvard Center for Ultracold Atoms, Research Laboratory of Electronics, Department of Physics, Massachusetts Institute of Technology.
Tree based machine learning framework for predicting ground state energies of molecules
NASA Astrophysics Data System (ADS)
Himmetoglu, Burak
2016-10-01
We present an application of the boosted regression tree algorithm for predicting ground state energies of molecules made up of C, H, N, O, P, and S (CHNOPS). The PubChem chemical compound database has been incorporated to construct a dataset of 16 242 molecules, whose electronic ground state energies have been computed using density functional theory. This dataset is used to train the boosted regression tree algorithm, which allows a computationally efficient and accurate prediction of molecular ground state energies. Predictions from boosted regression trees are compared with neural network regression, a widely used method in the literature, and shown to be more accurate with significantly reduced computational cost. The performance of the regression model trained using the CHNOPS set is also tested on a set of distinct molecules that contain additional Cl and Si atoms. It is shown that the learning algorithms lead to a rich and diverse possibility of applications in molecular discovery and materials informatics.
Relativistic Quark-Model Results for Baryon Ground and Resonant States
Plessas, W.; Melde, T.
2008-10-13
Latest results from a study of baryon ground and resonant states within relativistic constituent quark models are reported. After recalling some typical spectral properties, the description of ground states, especially with regard to the nucleon and hyperon electromagnetic structures, is addressed. In the following, recent covariant predictions for pion, eta, and kaon partial decay widths of light and strange baryon resonances below 2 GeV are summarized. These results exhibit a characteristic pattern that is distinct from nonrelativistic or relativized decay studies performed so far. Together with a detailed analysis of the spin, flavor, and spatial structures of the wave functions, it supports a new and extended classification scheme of baryon ground and resonant states into SU(3) flavor multiplets.
Exploring chaos in the Dicke model using ground-state fidelity and Loschmidt echo.
Bhattacharya, Utso; Dasgupta, Sayak; Dutta, Amit
2014-08-01
We study the quantum critical behavior of the Dicke Hamiltonian with finite number of atoms and explore the signature of quantum chaos using measures like the ground-state fidelity and the Loschmidt echo and the time-averaged Loschmidt echo. We show that these quantities clearly point to the classically chaotic nature of the system in the superradiant (SR) phase. While the ground-state fidelity shows aperiodic oscillations as a function of the coupling strength, the echo shows aperiodic oscillations in time and decays rapidly when the system is in the SR phase. We clearly demonstrate how the time-averaged value of the echo already incorporates the information about the ground-state fidelity and stays much less than unity, indicating the classically chaotic nature of the model in the SR phase.
Ground-state and transition charge densities in /sup 192/Os
Reuter, W.; Shera, E.B.; Hoehn, M.V.; Hersman, F.W.; Milliman, T.; Finn, J.M.; Hyde-Wright, C.; Lourie, R.; Pugh, B.; Bertozzi, W.
1984-11-01
Elastic and inelastic electron-scattering cross sections of an Os-Pt transition region nucleus, /sup 192/Os, have been measured in a momentum transfer range from 0.6 to 2.9 fm/sup -1/. The data for the ground and the J/sup ..pi../ = 2/sup +/, 2/sup +/', 4/sup +/, and 3/sup -/ states were analyzed model independently with a Fourier-Bessel parametrization of the ground state and transition charge densities. The normalization of the (e,e') cross sections was obtained from a combined analysis with muonic-atom data for the ground and first 2/sup +/ states. The densities and their radial moments are compared with theoretical predictions of the Davydov model and with axially symmetric deformed density-matrix-expansion Hartree-Fock calculations (including the Legendre expansion and the small-amplitude vibration model extensions).
Antibonding hole ground state in InAs quantum dot molecules
Planelles, Josep
2015-01-22
Using four-band k⋅p Hamiltonians, we study how strain and position-dependent effective masses influence hole tunneling in vertically coupled InAs/GaAs quantum dots. Strain reduces the tunneling and hence the critical interdot distance required for the ground state to change from bonding to antibonding. Variable mass has the opposite effect and a rough compensation leaves little affected the critical bonding-to-antibonding ground state crossover. An alternative implementation of the magnetic field in the envelope function Hamiltonian is given which retrieves the experimental denial of possible after growth reversible magnetically induced bonding-to-antibonding ground state transition, predicted by the widely used Luttinger-Kohn Hamiltonian.
NASA Astrophysics Data System (ADS)
Kevin, Garapo; Mhlambululi, Mafu; Francesco, Petruccione
2016-07-01
We investigate the effect of collective-rotation noise on the security of the six-state quantum key distribution. We study the case where the eavesdropper, Eve, performs an intercept-resend attack on the quantum communication between Alice, the sender, and Bob, the receiver. We first derive the collective-rotation noise model for the six-state protocol and then parameterize the mutual information between Alice and Eve. We then derive quantum bit error rate for three intercept-resend attack scenarios. We observe that the six-state protocol is robust against intercept-resend attacks on collective rotation noise channels when the rotation angle is kept within certain bounds. Project supported by the South African Research Chair Initiative of the Department of Science and Technology and National Research Foundation.
NASA Astrophysics Data System (ADS)
Jiménez, Andrea
2014-02-01
We study the unexpected asymptotic behavior of the degeneracy of the first few energy levels in the antiferromagnetic Ising model on triangulations of closed Riemann surfaces. There are strong mathematical and physical reasons to expect that the number of ground states (i.e., degeneracy) of the antiferromagnetic Ising model on the triangulations of a fixed closed Riemann surface is exponential in the number of vertices. In the set of plane triangulations, the degeneracy equals the number of perfect matchings of the geometric duals, and thus it is exponential by a recent result of Chudnovsky and Seymour. From the physics point of view, antiferromagnetic triangulations are geometrically frustrated systems, and in such systems exponential degeneracy is predicted. We present results that contradict these predictions. We prove that for each closed Riemann surface S of positive genus, there are sequences of triangulations of S with exactly one ground state. One possible explanation of this phenomenon is that exponential degeneracy would be found in the excited states with energy close to the ground state energy. However, as our second result, we show the existence of a sequence of triangulations of a closed Riemann surface of genus 10 with exactly one ground state such that the degeneracy of each of the 1st, 2nd, 3rd and 4th excited energy levels belongs to O( n), O( n 2), O( n 3) and O( n 4), respectively.
Arsenic in ground water of the United States: occurrence and geochemistry
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 0 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 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 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.
Cold collisions of ground-state calcium atoms in a laser field: A theoretical study
Bussery-Honvault, Beatrice; Launay, Jean-Michel; Moszynski, Robert
2003-09-01
State-of-the-art ab initio techniques have been applied to compute the potential-energy curves for the ground X {sup 1}{sigma}{sub g}{sup +} and excited {sup 1}{pi}{sub g}(4s3d) states of the calcium dimer in the Born-Oppenheimer approximation. The weakly bound ground state was calculated by symmetry-adapted perturbation theory, while the strongly bound excited state was computed using a combination of the linear-response theory within the coupled-cluster singles and doubles framework for the core-valence electronic correlation and of the full configuration interaction for the valence-valence correlation. The ground-state potential has been corrected by considering the relativistic terms resulting from the first-order many-electron Breit theory, and the retardation corrections. The magnetic electronic transition dipole moment governing the {sup 1}{pi}{sub g}(leftarrow){sup 1}{sigma}{sub g}{sup +} transitions has been obtained as the first residue of the polarization propagator computed with the coupled-cluster method restricted to single and double excitations. The computed energies and transition moments have been analytically fitted and used in the dynamical calculations of the rovibrational energy levels, ground-state scattering length, photoassociation intensities at ultralow temperatures, and spontaneous emission coefficients from the {sup 1}{pi}{sub g}(4s3d) to the X {sup 1}{sigma}{sub g}{sup +} state. The spectroscopic constants of the theoretical ground-state potential are in a good agreement with the experimental values derived from the Fourier-transform spectra [O. Allard et al., Eur. Phys. J. D (to be published)]. The theoretical s-wave scattering length for the ground state is a=44 bohrs, suggesting that it should be possible to obtain a stable Bose-Einstein condensate of calcium atoms. Finally, the computed photoassociation intensities and spontaneous emission coefficients suggest that it should be possible to obtain cold calcium molecules by
Raman analysis of bond conformations in the rotator state and premelting of normal alkanes.
Kotula, Anthony P; Walker, Angela R Hight; Migler, Kalman B
2016-06-14
We perform Raman spectroscopic measurements on normal alkanes (CnH2n+2) to quantify the n dependence of the conformational disorder that occurs below the melt temperature. We employ a three-state spectral analysis method originally developed for semi-crystalline polyethylene that posits crystalline, amorphous, and non-crystalline consecutive trans (NCCT) conformations to extract their respective mass fractions. For the alkanes studied that melt via a rotator phase (21 ≤n≤ 37), we find that conformational disorder can be quantified by the loss of NCCT mass fraction, which systematically decreases with increasing chain length. For those that melt directly via the crystal phase (n≥ 40), we observe NCCT conformational mass fractions that are independent of chain length but whose disordered mass fraction increases with length. These complement prior IR measurements which measure disorder via gauche conformations, but have not been able to measure the mass fraction of this disorder as a function of n. An interesting feature of the three-state analysis when applied to alkanes is that the measured fraction of disordered chain conformations in the rotator phase of (10 to 30)% greatly exceeds the mass fraction of gauche bonds (1 to 7)% as measured from IR; we reconcile this difference through DFT calculations. PMID:27174157
Preparing ground states of quantum many-body systems on a quantum computer
NASA Astrophysics Data System (ADS)
Poulin, David
2009-03-01
The simulation of quantum many-body systems is a notoriously hard problem in condensed matter physics, but it could easily be handled by a quantum computer [4,1]. There is however one catch: while a quantum computer can naturally implement the dynamics of a quantum system --- i.e. solve Schr"odinger's equation --- there was until now no general method to initialize the computer in a low-energy state of the simulated system. We present a quantum algorithm [5] that can prepare the ground state and thermal states of a quantum many-body system in a time proportional to the square-root of its Hilbert space dimension. This is the same scaling as required by the best known algorithm to prepare the ground state of a classical many-body system on a quantum computer [3,2]. This provides strong evidence that for a quantum computer, preparing the ground state of a quantum system is in the worst case no more difficult than preparing the ground state of a classical system. 1 D. Aharonov and A. Ta-Shma, Adiabatic quantum state generation and statistical zero knowledge, Proc. 35th Annual ACM Symp. on Theo. Comp., (2003), p. 20. F. Barahona, On the computational complexity of ising spin glass models, J. Phys. A. Math. Gen., 15 (1982), p. 3241. C. H. Bennett, E. Bernstein, G. Brassard, and U. Vazirani, Strengths and weaknessess of quantum computing, SIAM J. Comput., 26 (1997), pp. 1510--1523, quant-ph/9701001. S. Lloyd, Universal quantum simulators, Science, 273 (1996), pp. 1073--1078. D. Poulin and P. Wocjan, Preparing ground states of quantum many-body systems on a quantum computer, 2008, arXiv:0809.2705.
Electronic ground state conformers of β-carotene and their role in ultrafast spectroscopy
NASA Astrophysics Data System (ADS)
Lukeš, Vladimír; Christensson, Niklas; Milota, Franz; Kauffmann, Harald F.; Hauer, Jürgen
2011-04-01
We present a study of ground state conformations of all-trans β-carotene using Density Functional Theory (DFT). To reproduce the carotenoid spectrum, the DFT approach was combined with the Multi-Reference Configuration Interaction. Our results show that the global minimum corresponds to an asymmetric structure where the β-ionone rings are twisted with respect to the polyene chain. The next higher-lying conformer is more s-cis symmetric and is populated at room temperature (30%). We discuss the relation of these conformers to S∗ and show that our model readily explains the temperature dependence and the narrowing of the ground state bleach at long population times.
Meron ground state of Rashba spin-orbit-coupled dipolar bosons.
Wilson, Ryan M; Anderson, Brandon M; Clark, Charles W
2013-11-01
We study the effects of dipolar interactions on a Bose-Einstein condensate with synthetically generated Rashba spin-orbit coupling. The dipolar interaction we consider includes terms that couple spin and orbital angular momentum in a way perfectly congruent with the single-particle Rashba coupling. We show that this internal spin-orbit coupling plays a crucial role in the rich ground-state phase diagram of the trapped condensate. In particular, we predict the emergence of a thermodynamically stable ground state with a meron spin configuration.
Investigation of the ground state of the anisotropic extended Hubbard chain at weak coupling
NASA Astrophysics Data System (ADS)
Ding, Hanqin; Zhang, Jun
2016-09-01
We study a one-dimensional anisotropic extended Hubbard model, where the inter-site density (V) and exchange (J) interactions are spin-dependent. Use of bosonization and renormalization helps investigate phase diagram. At half filling, the ground state characterizes insulating phases. The spin-dependent repulsion leads to a bond-spin-density-wave (BSDW) phase. The antiferromagnetic exchange enhances the bond-order-wave (BOW) phase while weakens the charge-density-wave (CDW) phase. When J > 4 V, the BSDW and CDW phases disappear. Away from half filling, the ground state exhibits superconducting behavior. The anisotropic interactions have an important effect on the phase structures.
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.
On Asymptotic Stability in Energy Space of Ground States for Nonlinear Schrödinger Equations
NASA Astrophysics Data System (ADS)
Cuccagna, Scipio; Mizumachi, Tetsu
2008-11-01
We consider nonlinear Schrödinger equations iu_t +Δ u +β (|u|^2)u=0 , text{for} (t,x)in mathbb{R}× mathbb{R}^d, where d ≥ 3 and β is smooth. We prove that symmetric finite energy solutions close to orbitally stable ground states converge to a sum of a ground state and a dispersive wave as t → ∞ assuming the so called the Fermi Golden Rule (FGR) hypothesis. We improve the “sign condition” required in a recent paper by Gang Zhou and I.M.Sigal.
Ground-state and finite-temperature energetics and topologies of germanium microclusters
Antonio, G.A.; Feuston, B.P.; Kalia, R.K.; Vashishta, P.
1988-06-15
We have investigated the ground-state and finite-temperature properties of Ge microclusters (N = 2 to 14) using molecular dynamics (MD) simulation along with the method of steepest-descent quench (SDQ). The interaction potential adopted is the three-body Stillinger--Weber potential as modified by Ding and Andersen for amorphous Ge. Our results indicate that the experimentally observed greater stability of certain cluster sizes can be explained by the topology and energetics of the clusters at finite temperature rather than by the binding energies of the ground-state structures.
Ground State of Magnetic Dipoles on a Two-Dimensional Lattice: Structural Phases in Complex Plasmas
Feldmann, J. D.; Kalman, G. J.; Hartmann, P.; Rosenberg, M.
2008-02-29
We study analytically and by molecular dynamics simulations the ground state configuration of a system of magnetic dipoles fixed on a two-dimensional lattice. We find different phases, in close agreement with previous results. Building on this result and on the minimum energy requirement we determine the equilibrium lattice configuration, the magnetic order (ferromagnetic versus antiferromagnetic), and the magnetic polarization direction of a system of charged mesoscopic particles with magnetic dipole moments, in the domain where the strong electrostatic coupling leads to a crystalline ground state. Orders of magnitudes of the parameters of the system relevant to possible future dusty plasma experiments are discussed.
Ground state mass of 81Kr and the solar neutrino problem
NASA Astrophysics Data System (ADS)
Kouzes, R. T.; Lowry, M. M.; Bennett, C. L.
1982-02-01
The 81Br(3He,t)81Kr, reaction has been used to determine an improved value for the ground state mass of 81Kr. A comparison is made with 51V(3He,t)51Cr and the implications for calibration of the proposed bromine solar neutrino detector are presented. NUCLEAR REACTIONS 81Br(3He,t)81Kr, 51V(3He,t)51Cr, 87Rb(3He,t)87Sr, 85Rb(3He,t)85Sr, E(3He)=24.7 MeV; Q values measured, ground state 81Kr mass inferred.
Ground states of spin-2 condensates in an external magnetic field
Zheng, G.-P.; Tong, Y.-G.; Wang, F.-L.
2010-06-15
The possible ground states of spin-2 Bose-Einstein condensates in an external magnetic field are obtained analytically and classified systematically according to the population of the condensed atoms at the hyperfine sublevels. It is shown that the atoms can populate simultaneously at four hyperfine sublevels in a weak magnetic field with only the linear Zeeman energy, in contrast to that in a stronger magnetic field with the quadratic Zeeman energy, where condensed atoms can at most populate at three hyperfine sublevels in the ground states. Any spin configuration we obtained will give a closed subspace in the order parameter space of the condensates.
Ground-state properties of third-row elements with nonlocal density functionals
Bagno, P.; Jepsen, O.; Gunnarsson, O.
1989-07-15
The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state.
Dimerized ground state in the one-dimensional spin-1 boson Hubbard model
Apaja, Vesa; Syljuaasen, Olav F.
2006-09-15
We have investigated the one-dimensional spin-1 boson Hubbard model with antiferromagnetic interactions using quantum Monte Carlo methods. We obtain the shapes of the two lowest Mott lobes and show that the ground state within the lowest Mott lobe is dimerized. The results presented here are relevant for optically trapped antiferromagnetic spin-1 bosons. An experimental signature of the dimerized ground state is modulated Bragg peaks in the noise distribution of the atomic cloud obtained after switching off the trap. These Bragg peaks are located at wave vectors corresponding to half-integer multiples of the reciprocal wave vector of the optical lattice.
Preparing Ground States of Quantum Many-Body Systems on a Quantum Computer
Poulin, David; Wocjan, Pawel
2009-04-03
Preparing the ground state of a system of interacting classical particles is an NP-hard problem. Thus, there is in general no better algorithm to solve this problem than exhaustively going through all N configurations of the system to determine the one with lowest energy, requiring a running time proportional to N. A quantum computer, if it could be built, could solve this problem in time {radical}(N). Here, we present a powerful extension of this result to the case of interacting quantum particles, demonstrating that a quantum computer can prepare the ground state of a quantum system as efficiently as it does for classical systems.
NASA Astrophysics Data System (ADS)
Gao, Fei; Weiland, Lisa Mauck; Kitchin, John
2008-03-01
While the acidic polymer electrolyte membrane (PEM) Nafion has garnered considerable attention, the active response of basic PEMs offers another realm of potential applications. For instance, the basic PEM Selemion is currently being considered in the development of a CO II separation prototype device to be employed in coal power plant flue gas. The mechanical integrity of this material and subsequent effects in active response in this harsh environment will become important in prototype development. A multiscale modeling approach based on rotational isomeric state theory in combination with a Monte Carlo methodology may be employed to study mechanical integrity. The approach has the potential to be adapted to address property change of any PEM in the presence of foreign species (reinforcing or poisoning), as well as temperature and hydration variations. The conformational characteristics of the Selemion polymer chain and the cluster morphology in the polymer matrix are considered in the prediction of the stiffness of Selemion in specific states.
Huang, J; Mara, M W; Stickrath, A B; Kokhan, O; Harpham, M R; Haldrup, K; Shelby, M L; Zhang, X; Ruppert, R; Sauvage, J-P; Chen, L X
2014-12-21
Photophysical and structural properties of a Cu(I) diimine complex with very strong steric hindrance, [Cu(I)(dppS)2](+) (dppS = 2,9-diphenyl-1,10-phenanthroline disulfonic acid disodium salt), are investigated by optical and X-ray transient absorption (OTA and XTA) spectroscopy. The bulky phenylsulfonic acid groups at 2,9 positions of phenanthroline ligands force the ground state and the metal-to-ligand charge-transfer (MLCT) excited state to adopt a flattened pseudo-tetrahedral coordination geometry in which the solvent access to the copper center is completely blocked. We analyzed the MLCT state dynamics and structures as well as those of the charge separated state resulting from the interfacial electron injection from the MLCT state to TiO2 nanoparticles (NPs). The OTA results show the absence of the sub-picosecond component previously assigned as the time constant for flattening, while the two observed time constants are assigned to a relatively slow intersystem crossing (ISC) rate (∼13.8 ps) and a decay rate (100 ns) of the [Cu(I)(dppS)2](+) MLCT state in water. These results correlate well with the XTA studies that resolved a flattened tetrahedral Cu(i) coordination geometry in the ground state. Probing the (3)MLCT state structure with XTA establishes that the (3)MLCT state has the same oxidation state as the copper center in [Cu(II)(dppS)2](2+) and the Cu-N distance is reduced by 0.06 Å compared to that of the ground state, accompanied by a rotation of phenyl rings located at 2,9 positions of phenanthroline. The structural dynamics of the photoinduced charge transfer process in the [Cu(I)(dppS)2](+)/TiO2 hybrid is also investigated, which suggests a more restricted environment for the complex upon binding to TiO2 NPs. Moreover, the Cu-N bond length of the oxidized state of [Cu(I)(dppS)2](+) after electron injection to TiO2 NPs shortens by 0.05 Å compared to that in the ground state. The interpretation of these observed structural changes associated with
Estimation of ground and excited state dipole moments of Oil Red O by solvatochromic shift methods.
Sıdır, İsa; Gülseven Sıdır, Yadigar
2015-01-25
Absorption and fluorescence spectra of Oil Red O (abbreviated as ORO) are recorded in various solvents with different polarity in the range of 250-900 nm, at room temperature. The solvatochromic shift methods have been used to determine the ground state (μg) and excited state (μe) dipole moments depending on dielectric constant and refractive index functions. It is observed that fluorescence spectra show positive solvatochromism whereas absorption spectra do not indicates sensitive behavior to solvent polarity. Excited state dipole moment is found as higher than those of ground state for all of the used methods and it is attributed to more polar excited state of ORO. Theoretical μg has been determined by quantum chemical calculations using DFT and semi empirical methods. HOMO, LUMO, molecular electrostatic potential (MEP) and solvent accessible surface of ORO are calculated by using DFT-B3LYP method.
Creation of Ultracold Sr2 Molecules in the Electronic Ground State
NASA Astrophysics Data System (ADS)
Stellmer, Simon; Pasquiou, Benjamin; Grimm, Rudolf; Schreck, Florian
2012-09-01
We report on the creation of ultracold Sr284 molecules in the electronic ground state. The molecules are formed from atom pairs on sites of an optical lattice using stimulated Raman adiabatic passage (STIRAP). We achieve a transfer efficiency of 30% and obtain 4×104 molecules with full control over the external and internal quantum state. STIRAP is performed near the narrow S01-P13 intercombination transition, using a vibrational level of the 1(0u+) potential as an intermediate state. In preparation of our molecule association scheme, we have determined the binding energies of the last vibrational levels of the 1(0u+), 1(1u) excited-state and the XΣg+1 ground-state potentials. Our work overcomes the previous limitation of STIRAP schemes to systems with magnetic Feshbach resonances, thereby establishing a route that is applicable to many systems beyond alkali-metal dimers.
Understanding the Yang-Mills ground state: The origin of colour confinement
NASA Astrophysics Data System (ADS)
Preparata, Giuliano
1988-01-01
The essential magnetic instability of the perturbative ground state of a non-abelian Yang-Mills theory recently discovered, is shown to lead to a family of degenerate states, the Savvidy states, where the Yang-Mills fields undergo an infinite (when the ultraviolet cut-off Λ-->∞M) condensation process. These states build up the real Yang-Mills ground state, in which colour is confined and governed by the effective lagrangian of anisotropic chromodynamics (ACD), proposed by the present author a few years ago. This appears to solve the problem of confinement in QCD. On leave of absence from Dipartimento di Fisica, Università di Bari, I-70126 Bari, Italy.
Is rotating between static and dynamic work beneficial for our fatigue state?
Luger, Tessy; Bosch, Tim; Hoozemans, Marco J M; Veeger, DirkJan H E J; de Looze, Michiel P
2016-06-01
Shoulder disorders comprise a large part of work-related musculoskeletal disorders. Risk factors, such as repetitiveness and monotony, may cause muscle fatigue and be attenuated by task rotation. We investigated rotation between a dynamic box-lifting task and a relatively static pick-and-place task and aimed to determine whether (1) a high rotation frequency leads to less fatigue development than a low rotation frequency, and (2) a self-selected rotation frequency leads to less fatigue development than imposed rotation frequencies. Ten participants performed four one-hour rotation schedules: two low frequency rotation schedules rotating at 30min, one high frequency rotation schedule rotating every sixth minute, and a self-selected rotation schedule. Borg, SOFI and electromyography of Trapezius and Deltoid subparts served as fatigue indicators. We found significant signs of fatigue for most schedules regarding the Borg and SOFI ratings and the M. Trapezius pars Descendens. Task rotation frequency had no significant effect on any of the outcome parameters, whereas the self-selected rotation schedule clearly resulted in less development of perceived fatigue than imposed schedules. In conclusion, we think that freedom of rotation has the greatest potential to attenuate potential development of musculoskeletal disorders and we require due caution with the use and interpretation of EMG indicators of fatigue.
Ground state spin and excitation energies in half-filled Lieb lattices
NASA Astrophysics Data System (ADS)
Ţolea, M.; Niţǎ, M.
2016-10-01
We present detailed spectral calculations for small Lieb lattices having up to N =4 number of cells, in the regime of half-filling, an instance of particular relevance for the nanomagnetism of discrete systems such as quantum dot arrays, due to the degenerate levels at midspectrum. While for the Hubbard interaction model—and even number of sites—the ground state spin is given by the Lieb theorem, the inclusion of long-range interaction—or odd number of sites—makes the spin state not known a priori, which justifies our approach. We calculate also the excitation energies, which are of experimental importance, and find significant variation induced by the interaction potential. One obtains insights on the mechanisms involved that impose as ground state the Lieb state with lower spin rather than the Hund one with maximum spin for the degenerate levels, showing this in the first and second orders of the interaction potential for the smaller lattices. The analytical results agree with the numerical ones, which are performed by exact diagonalization calculations or by a combined mean-field and configuration interaction method. While the Lieb state is always lower in energy than the Hund state, for strong long-range interaction, when possible, another minimal spin state is imposed as ground state.
Fission of rotating fermium isotopes
NASA Astrophysics Data System (ADS)
Baran, A.; Staszczak, A.
2014-05-01
In this paper we discuss the process of fission of even fermium isotopes, on the basis of their rotational states. The nuclear intrinsic vorticity and its coupling to the global rotation of the nucleus are used to simulate the interaction between the rotational motion and the pairing field, and lead to pairing quenching in the case of higher angular momentum states. The rotation leads to a decreasing of the fission barrier heights. The ingredients of the model—ground state fission barriers, pairing correlation energies and the cranking moments of inertia—are obtained within the self-consistent Hartree-Fock-Bogoliubov framework using the Skyrme \\text{Sk}{{\\text{M}}^{*}} energy density functional. Fission barriers and half-lives are estimated for spins I up to I = 16ℏ.
Reactive ground-state pathways are not ubiquitous in red/green cyanobacteriochromes.
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. PMID:23725062
Polarization memory in the nonpolar magnetic ground state of multiferroic CuFeO2
NASA Astrophysics Data System (ADS)
Beilsten-Edmands, J.; Magorrian, S. J.; Foronda, F. R.; Prabhakaran, D.; Radaelli, P. G.; Johnson, R. D.
2016-10-01
We investigate polarization memory effects in single-crystal CuFeO2, which has a magnetically induced ferroelectric phase at low temperatures and applied B fields between 7.5 and 13 T. Following electrical poling of the ferroelectric phase, we find that the nonpolar collinear antiferromagnetic ground state at B =0 T retains a strong memory of the polarization magnitude and direction, such that upon reentering the ferroelectric phase a net polarization of comparable magnitude to the initial polarization is recovered in the absence of external bias. This memory effect is very robust: in pulsed-magnetic-field measurements, several pulses into the ferroelectric phase with reverse bias are required to switch the polarization direction, with significant switching only seen after the system is driven out of the ferroelectric phase and ground state either magnetically (by application of B >13 T) or thermally. The memory effect is also largely insensitive to the magnetoelastic domain composition, since no change in the memory effect is observed for a sample driven into a single-domain state by application of stress in the [1 1 ¯0 ] direction. On the basis of Monte Carlo simulations of the ground-state spin configurations, we propose that the memory effect is due to the existence of helical domain walls within the nonpolar collinear antiferromagnetic ground state, which would retain the helicity of the polar phase for certain magnetothermal histories.
A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates
Wang, Hanquan
2014-10-01
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 be 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.
Calculated ground state potential surface and excitation energies for the copper trimer
NASA Technical Reports Server (NTRS)
Walch, S. P.; Laskowski, B. C.
1986-01-01
In the context of their relevance to catalysis and to materials science problems, transition metals and transition metal (TM) compounds are currently of considerable interest, and studies have been conducted of the copper trimer, Cu3. The present investigation is concerned with a study of the ground state surface and several groups of excited states in order to improve the understanding of the spectroscopy of Cu3. Differences of the current study from previous investigations are related to an employment of larger basis sets and a more extensive electron correlation. This was done with the objective to obtain a more accurate definition of the ground state surface. Features of the bonding in the copper dimer are considered to obtain a basis for an understanding of the copper trimer. Attention is given to calculational details, the ground state surface, and calculated vertical excitation energies. The results of SCF/SDCI calculations are reported for portions of the ground surface, for two groups of excited states, and for the ionization potential of Cu3.
NASA Astrophysics Data System (ADS)
Chen, Zhan-Bin; Dong, Chen-Zhong; Xie, Lu-You; Jiang, Jun
2014-03-01
Electron impact excitation cross sections from the ground state and the lowest metastable state 5p56s J = 2 to the excited states of the 5p57p configuration of xenon are calculated systematically using the fully relativistic distorted wave method. Special attention is paid to the configuration interaction effects in the wave-function expansion of target states. The results are in good agreement with the recent experimental data by Jung et al. [Phys. Rev. A 80 (2009) 062708] over the measured energy range. These accurate theoretical results can be used in the modeling and diagnosis of plasmas containing xenon.
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.
Conformational analysis of N-methylformamide in ground S0 and excited S1 and T1 electronic states
NASA Astrophysics Data System (ADS)
Tukachev, N. V.; Bataev, V. A.; Godunov, I. A.
2016-07-01
For conformers of the N-methylformamide (HCONHCH3) molecule, calculations of equilibrium geometry parameters, harmonic vibration frequencies, energy differences and potential barriers to conformational transitions were performed in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states. In the S0 state, the molecule exists in trans and cis stable conformations (having Cs symmetry). Our calculations show that the electronic excitations T1←S0 and S1←S0 cause changes in the structure of conformers: both HCON and HNCC fragments become pyramidal and rotate around the CN bond. As a result, in each excited electronic state under consideration, there are 12 minima forming six pairs of equivalent conformers separated by relatively small potential barriers. One- and two-dimensional potential energy surface sections corresponding to different intramolecular large-amplitude motions were calculated using the MP2/aug-cc-pVTZ (S0) and CASPT2/cc-pVTZ (S1 and T1) methods. Anharmonic vibrational problems for large-amplitude motions were solved, and the corresponding frequencies were estimated.
Accurate intermolecular ground state potential of the Ar-N2 van der Waals complex.
Munteanu, Cristian R; Cacheiro, Javier López; Fernández, Berta
2004-12-01
After carrying out a systematic basis set convergence study, we evaluate several ground state potential energy surfaces of the Ar-N(2) van der Waals complex at the coupled cluster singles and doubles model including connected triples corrections. We use the aug-cc-pVXZ (X=5,Q,D) and the daug-cc-pVQZ basis sets augmented with a set of 3s3p2d1f1g (denoted 33211) and 3s3p2d2f1g (denoted 33221) midbond functions, respectively. aug-cc-pVTZ-33211 results were available in the literature. The aug-cc-pV5Z-33211 (daug-cc-pVQZ-33221) surface is characterized by a T-shaped minimum at R(e)=3.709 (3.701) A and of 99.01 (102.50) cm(-1), and a linear saddle point at 4.260 (4.257) A and D(e)=75.28 (79.73) cm(-1). These results are compared with the values provided by the semiempirical potentials available, and those of previous theoretical studies. The basis set convergence of the intermolecular potentials is also analyzed. From the potentials the rovibronic spectroscopic properties are determined. We study the basis set convergence of the rotational frequencies. The binding parameters that characterized the aug-cc-pVTZ-33211 surface are reasonable, but the surface is not good enough to evaluate the microwave spectra. The aug-cc-pVQZ-33211 basis set results considerably improve the triple zeta and are close to the aug-cc-pV5Z-33211. Considering the small differences between the quadruple and the quintuple zeta surfaces, the latter results can be expected to be close to convergence. At this level the differences with respect to the accurate experimental frequencies are in the order of 0.7%. In the case of the daug-cc-pVXZ-33211,33221 (X=5,Q,T,D) series, the convergence of the interaction energies with respect to basis set improvement is not so smooth. The errors in the frequencies obtained with the daug-cc-pVQZ-33221 basis set with respect to experiment are in the order of 0.4%.
Gravitational wave asteroseismology of fast rotating neutron stars with realistic equations of state
NASA Astrophysics Data System (ADS)
Doneva, Daniela D.; Gaertig, Erich; Kokkotas, Kostas D.; Krüger, Christian
2013-08-01
In the present paper we study the oscillations of fast rotating neutron stars with realistic equations of state (EoS) within the Cowling approximation. We derive improved empirical relations for gravitational wave asteroseismology with f-modes, and for the first time we consider not only quadrupolar oscillations but also modes with higher spherical order (l=|m|=3, 4). After performing a systematic comparison with polytropic EoS, we show that the empirical relations found in this case approximately also hold for realistic EoS. In addition, we show that these relations will not change significantly even if the Cowling approximation is dropped and the full general relativistic case is considered, although the normalization used here (frequencies and damping times in the nonrotating limit) could differ considerably. We also address the inverse problem; i.e., we investigate in detail what kind of observational data are required in order to determine characteristic neutron star parameters. It is shown that masses, radii and rotation rates can be estimated quite accurately using the derived asteroseismology relations. We also compute the instability window for certain models, i.e., the limiting curve in a T-Ω plane where the secular Chandrasekhar-Friedman-Schutz instability overcomes dissipative effects, and we show that some of the modern realistic EoS will lead to a larger instability window compared to all of the polytropic ones presented so far in the literature. Additionally, we calculate the r-mode instability window and compare it with the f-mode case. The overall results for the instability window suggest that it is vital to take into account oscillations with l=3, 4 when considering gravitational wave asteroseismology using the f-mode in rapidly rotating neutron stars, as these modes can become unstable for a much larger range of parameters than pure quadrupolar oscillations.
Rayleigh approximation to ground state of the Bose and Coulomb glasses
Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.
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
Rayleigh approximation to ground state of the Bose and Coulomb glasses
Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.
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. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.
Bibliography on ground water in glacial-aquifer systems in the Northeastern United States
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.
Resetting transcription factor control circuitry toward ground-state pluripotency in human.
Takashima, Yasuhiro; Guo, Ge; Loos, Remco; Nichols, Jennifer; Ficz, Gabriella; Krueger, Felix; Oxley, David; Santos, Fatima; Clarke, James; Mansfield, William; Reik, Wolf; Bertone, Paul; Smith, Austin
2014-09-11
Current human pluripotent stem cells lack the transcription factor circuitry that governs the ground state of mouse embryonic stem cells (ESC). Here, we report that short-term expression of two components, NANOG and KLF2, is sufficient to ignite other elements of the network and reset the human pluripotent state. Inhibition of ERK and protein kinase C sustains a transgene-independent rewired state. Reset cells self-renew continuously without ERK signaling, are phenotypically stable, and are karyotypically intact. They differentiate in vitro and form teratomas in vivo. Metabolism is reprogrammed with activation of mitochondrial respiration as in ESC. DNA methylation is dramatically reduced and transcriptome state is globally realigned across multiple cell lines. Depletion of ground-state transcription factors, TFCP2L1 or KLF4, has marginal impact on conventional human pluripotent stem cells but collapses the reset state. These findings demonstrate feasibility of installing and propagating functional control circuitry for ground-state pluripotency in human cells. PMID:25215486
The ground state of a spin-1 anti-ferromagnetic atomic condensate for Heisenberg limited metrology
NASA Astrophysics Data System (ADS)
Wu, Ling-Na; You, Li
2016-05-01
The ground state of a spin-1 atomic condensate with anti-ferromagnetic interaction can be applied to quantum metrology approaching the Heisenberg limit. Unlike a ferromagnetic condensate state where individual atomic spins are aligned in the same direction, atoms in an anti-ferromagnetic ground state condensate exist as spin singlet pairs, whose inherent correlation promises metrological precisions beyond the standard quantum limit (SQL) for uncorrelated atoms. The degree of improvement over the SQL is measured by quantum Fisher information (QFI), whose dependence on the ratio of linear Zeeman shift p to spin-dependent atomic interaction c is studied. At a typical value of p = 0 . 4 c corresponding to a magnetic field of 28 . 6 μ G with c = h × 50 Hz (for 23 Na atom condensate in the F = 1 state at a typical density of ~1014cm-3), the scaled QFI can reach ~ 0 . 48 N , which is close to the limits of N for NooN state, or 0 . 5 N for twin-Fock state. We hope our work will stimulate experimental efforts towards reaching the anti-ferromagnetic condensate ground state at extremely low magnetic fields.
Resetting Transcription Factor Control Circuitry toward Ground-State Pluripotency in Human
Takashima, Yasuhiro; Guo, Ge; Loos, Remco; Nichols, Jennifer; Ficz, Gabriella; Krueger, Felix; Oxley, David; Santos, Fatima; Clarke, James; Mansfield, William; Reik, Wolf; Bertone, Paul; Smith, Austin
2014-01-01
Summary Current human pluripotent stem cells lack the transcription factor circuitry that governs the ground state of mouse embryonic stem cells (ESC). Here, we report that short-term expression of two components, NANOG and KLF2, is sufficient to ignite other elements of the network and reset the human pluripotent state. Inhibition of ERK and protein kinase C sustains a transgene-independent rewired state. Reset cells self-renew continuously without ERK signaling, are phenotypically stable, and are karyotypically intact. They differentiate in vitro and form teratomas in vivo. Metabolism is reprogrammed with activation of mitochondrial respiration as in ESC. DNA methylation is dramatically reduced and transcriptome state is globally realigned across multiple cell lines. Depletion of ground-state transcription factors, TFCP2L1 or KLF4, has marginal impact on conventional human pluripotent stem cells but collapses the reset state. These findings demonstrate feasibility of installing and propagating functional control circuitry for ground-state pluripotency in human cells. PMID:25215486
NASA Astrophysics Data System (ADS)
Mukherjee, Sutirtha; Mandal, Sudhansu
The internal structure and topology of the ground states for fractional quantum Hall effect (FQHE) are determined by the relative angular momenta between all the possible pairs of electrons. Laughlin wave function is the only known microscopic wave function for which these relative angular momenta are homogeneous (same) for any pair of electrons and depend solely on the filling factor. Without invoking any microscopic theory, considering only the relationship between number of flux quanta and particles in spherical geometry, and allowing the possibility of inhomogeneous (different) relative angular momenta between any two electrons, we develop a general method for determining a closed-form ground state wave function for any incompressible FQHE state. Our procedure provides variationally obtained very accurate wave functions, yet having simpler structure compared to any other known complex microscopic wave functions for the FQHE states. This method, thus, has potential in predicting a very accurate ground state wave function for the puzzling states such as the state at filling fraction 5/2. We acknowledge support from Department of Science and Technology, India.
Bao, Weizhu; Chern, I-Liang; Zhang, Yanzhi
2013-11-15
In this paper, we propose efficient numerical methods for computing ground states of spin-1 Bose–Einstein condensates (BECs) with/without the Ioffe–Pritchard magnetic field B(x). When B(x)≠0, a numerical method is introduced to compute the ground states and it is also applied to study properties of ground states. Numerical results suggest that the densities of m{sub F}=±1 components in ground states are identical for any nonzero B(x). In particular, if B(x)≡B≠0 is a constant, the ground states satisfy the single-mode approximation. When B(x)≡0, efficient and simpler numerical methods are presented to solve the ground states of spin-1 BECs based on their ferromagnetic/antiferromagnetic characterizations. Numerical simulations show that our methods are more efficient than those in the literature. In addition, some conjectures are made from our numerical observations.
NASA Astrophysics Data System (ADS)
Lin, Zhou; McCoy, Anne B.
2012-06-01
H_5^+ is an important intermediate in the proton transfer reaction between H_3^+ and H_2 in interstellar clouds. The highly fluxional nature of this simple molecular ion makes theoretical studies challenging. Diffusion Monte Carlo (DMC) is an excellent method to obtain accurate zero-point energies of such systems, given a potential energy surface (PES). In this work, the zero-point energies of H_5^+ and its deuterated isotopologues are calculated using DMC, with the full-dimensional PES's from the Roncero group and the Bowman group. The results are in good agreement with the previously reported values. Using the descendant weighting method, projections of the probability amplitude onto various internal coordinates are investigated. Based on these projections, the ground-state expectation values of some microscopic properties, including the molecular geometries, rotational constants and dipole moments, are evaluated to aid in future high-resolution spectroscopic studies. Furthermore, the PES contains 120 equivalent minima, and the results of the DMC simulations are used to explore the extent to which the system is able to tunnel among these minima. The results show very low probabilities for exchanges between the center and outer hydrogen atoms at the ground vibrational state, due to the relatively high barriers that seperate these minima. Higher probabilities are predicted for the excited states. A. Aguado, P. Barragán, R. Prosmiti, G. Delgado-Barrio, P. Villarreal, and O. Roncero, J. Chem. Phys. 133, 024306 (2010) Z. Xie, B. J. Braams, and J. M. Bowman, J. Chem. Phys. 122, 224307 (2005) P. H. Acioli, Z. Xie, B. J. Braams, and J. M. Bowman, J. Chem. Phys. 128, 104318 (2008)
Generalized isotropic Lipkin-Meshkov-Glick models: ground state entanglement and quantum entropies
NASA Astrophysics Data System (ADS)
Carrasco, José A.; Finkel, Federico; González-López, Artemio; Rodríguez, Miguel A.; Tempesta, Piergiulio
2016-03-01
We introduce a new class of generalized isotropic Lipkin-Meshkov-Glick models with \\text{su}(m+1) spin and long-range non-constant interactions, whose non-degenerate ground state is a Dicke state of \\text{su}(m+1) type. We evaluate in closed form the reduced density matrix of a block of L spins when the whole system is in its ground state, and study the corresponding von Neumann and Rényi entanglement entropies in the thermodynamic limit. We show that both of these entropies scale as alog L when L tends to infinity, where the coefficient a is equal to (m - k)/2 in the ground state phase with k vanishing \\text{su}(m+1) magnon densities. In particular, our results show that none of these generalized Lipkin-Meshkov-Glick models are critical, since when L\\to ∞ their Rényi entropy R q becomes independent of the parameter q. We have also computed the Tsallis entanglement entropy of the ground state of these generalized \\text{su}(m+1) Lipkin-Meshkov-Glick models, finding that it can be made extensive by an appropriate choice of its parameter only when m-k≥slant 3 . Finally, in the \\text{su}(3) case we construct in detail the phase diagram of the ground state in parameter space, showing that it is determined in a simple way by the weights of the fundamental representation of \\text{su}(3) . This is also true in the \\text{su}(m+1) case; for instance, we prove that the region for which all the magnon densities are non-vanishing is an (m + 1)-simplex in {{{R}}m} whose vertices are the weights of the fundamental representation of \\text{su}(m+1) .
Cavity cooling to the ground state of an ensemble quantum system
NASA Astrophysics Data System (ADS)
Wood, Christopher J.; Cory, David G.
2016-02-01
We describe a method for initializing an ensemble of qubits in a pure ground state by applying collective cavity cooling techniques in the presence of local dephasing noise on each qubit. To solve the dynamics of the ensemble system we introduce a method for dissipative perturbation theory that applies average Hamiltonian theory in an imaginary-time dissipative interaction frame to find an average effective dissipator for the system dynamics. We use SU(4) algebra generators to analytically solve the first-order perturbation for an arbitrary number of qubits in the ensemble. We find that to first order the effective dissipator describes local T1 thermal relaxation to the ground state of each qubit in the ensemble at a rate equal to the collective cavity cooling dissipation rate. The proposed technique should permit the parallel initialization of high purity states in large ensemble quantum systems based on solid-state spins.
Role of the helium ground state in (e,3e) processes
Ancarani, L.U.; Montagnese, T.; Dal Cappello, C.
2004-07-01
Absolute (e,3e) measurements on helium, at high incident energy, have been recently reproduced by a calculation in the first Born approximation [Phys. Rev. Lett. 91, 73201 (2003)]. The theoretical model is based on the product of three Coulomb waves for the final state and the use of Pluvinage wave function for the initial helium ground state. The authors suggest that the good agreement obtained is strongly related to the quality of the initial state, in particular to the fact that it is diagonal in all Coulomb interactions. In this paper, we show that this conclusion is not correct. We construct three other helium ground states to demonstrate that diagonalizing the Hamiltonian is not the deciding factor in obtaining agreement with the absolute experimental data.
Electron-impact excitation and ionization cross sections for ground state and excited helium atoms
Ralchenko, Yu. Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de
2008-07-15
Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n{<=}4 are treated individually, while the states with n{>=}5 are considered degenerate. For the processes involving transitions to and from n{>=}5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form.
NASA Astrophysics Data System (ADS)
Nagasawa, Yutaka; Ando, Yoshito; Okada, Tadashi
1999-10-01
We have studied femtosecond ground state recovery dynamics of the triphenylmethane dyes brilliant green (BG) and malachite green (MG) by pump-probe spectroscopy at the center wavelength of 635 nm with a time resolution of 33 fs. The ultrafast recovery of the ground state bleach was highly nonexponential and depended on the solvent viscosity, although all time constants were shorter than the solvation times obtained from other measurements. We observed a plateau or a rise component in the signal, which indicates an intermediate state. The rise time showed a viscosity dependence, even in the ultrafast time domain. It should be noted that the decay times were always longer for BG than MG, while the rise time did not show a solute dependence. The torsional motion of the amino-substituted phenyl group may be involved in the ultrafast process to the intermediate state, but lack of a solute dependence indicates that only a small conformational change is involved.
Distribution of Elevated Nitrate Concentrations in Ground Water in Washington State
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.
Green's function Monte Carlo calculation for the ground state of helium trimers
Cabral, F.; Kalos, M.H.
1981-02-01
The ground state energy of weakly bound boson trimers interacting via Lennard-Jones (12,6) pair potentials is calculated using a Monte Carlo Green's Function Method. Threshold coupling constants for self binding are obtained by extrapolation to zero binding.
Magnetic ground state of an individual Fe2+ ion in strained semiconductor nanostructure
Smoleński, T.; Kazimierczuk, T.; Kobak, J.; Goryca, M.; Golnik, A.; Kossacki, P.; Pacuski, W.
2016-01-01
Single impurities with nonzero spin and multiple ground states offer a degree of freedom that can be utilized to store the quantum information. However, Fe2+ dopant is known for having a single nondegenerate ground state in the bulk host semiconductors and thus is of little use for spintronic applications. Here we show that the well-established picture of Fe2+ spin configuration can be modified by subjecting the Fe2+ ion to high strain, for example, produced by lattice mismatched epitaxial nanostructures. Our analysis reveals that high strain induces qualitative change in the ion energy spectrum and results in nearly doubly degenerate ground state with spin projection Sz=±2. We provide an experimental proof of this concept using a new system: a strained epitaxial quantum dot containing individual Fe2+ ion. Magnetic character of the Fe2+ ground state in a CdSe/ZnSe dot is revealed in photoluminescence experiments by exploiting a coupling between a confined exciton and the single-iron impurity. We also demonstrate that the Fe2+ spin can be oriented by spin-polarized excitons, which opens a possibility of using it as an optically controllable two-level system free of nuclear spin fluctuations. PMID:26818580
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.
Effect of spin-orbit coupling on the ground state structure of mercury
NASA Astrophysics Data System (ADS)
Mishra, Vinayak; Gyanchandani, Jyoti; Chaturvedi, Shashank; Sikka, S. K.
2014-05-01
Near zero kelvin ground state structure of mercury is the body centered tetragonal (BCT) structure (β Hg). However, in all previously reported density functional theory (DFT) calculations, either the rhombohedral or the HCP structure has been found to be the ground state structure. Based on the previous calculations it was predicted that the correct treatment of the SO effects would improve the result. We have performed FPLAPW calculations, with and without inclusion of the SO coupling, for determining the ground state structure. These calculations determine rhombohedral structure as the ground state structure instead of BCT structure. The calculations, without inclusion of SO effect, predict that the energies of rhombohedral and BCT structures are very close to each other but the energy of rhombohedral structure is lower than that of BCT structure at ambient as well as high pressure. On the contrary, the SO calculations predict that though at ambient conditions the rhombohedral structure is the stable structure but on applying a pressure of 3.2 GPa, the BCT structure becomes stable. Hence, instead of predicting the stability of BCT structure at zero pressure, the SO calculations predict its stability at 3.2 GPa. This small disagreement is expected when the energy differences between the structures are small.
Magnetostriction-driven ground-state stabilization in 2H perovskites
NASA Astrophysics Data System (ADS)
Porter, D. G.; Senn, M. S.; Khalyavin, D. D.; Cortese, A.; Waterfield-Price, N.; Radaelli, P. G.; Manuel, P.; zur-Loye, H.-C.; Mazzoli, C.; Bombardi, A.
2016-10-01
The magnetic ground state of Sr3A RuO6 , 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 exchange 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. The symmetry considerations used to rationalize the magnetic ground state are very general and will apply to many systems in this family, such as Ca3A RuO6 , with A =(Li ,Na ) , and Ca3LiOsO6 whose magnetic ground states are still not completely understood.
Massless ground state for a compact SU (2) matrix model in 4D
NASA Astrophysics Data System (ADS)
Boulton, Lyonell; Garcia del Moral, Maria Pilar; Restuccia, Alvaro
2015-09-01
We show the existence and uniqueness of a massless supersymmetric ground state wavefunction of a SU (2) matrix model in a bounded smooth domain with Dirichlet boundary conditions. This is a gauge system and we provide a new framework to analyze the quantum spectral properties of this class of supersymmetric matrix models subject to constraints which can be generalized for arbitrary number of colors.
Weatherall, James Owen; Search, Christopher P.
2010-02-15
Transparent media exhibiting anomalous dispersion have been of considerable interest since Wang, Kuzmich, and Dogariu [Nature 406, 277 (2000)] first observed light propagate with superluminal and negative group velocities without absorption. Here, we propose an atomic model exhibiting these properties, based on a generalization of amplification without inversion in a five-level dressed interacting ground-state system. The system consists of a {Lambda} atom prepared as in standard electromagnetically induced transparency (EIT), with two additional metastable ground states coupled to the {Lambda} atom ground states by two rf-microwave fields. We consider two configurations by which population is incoherently pumped into the ground states of the atom. Under appropriate circumstances, we predict a pair of new gain lines with tunable width, separation, and height. Between these lines, absorption vanishes but dispersion is large and anomalous. The system described here is a significant improvement over other proposals in the anomalous dispersion literature in that it permits additional coherent control over the spectral properties of the anomalous region, including a possible 10{sup 4}-fold increase over the group delay observed by Wang, Kuzmich, and Dogariu.
Ground-state properties of small-size nonlinear dynamical lattices
NASA Astrophysics Data System (ADS)
Buonsante, P.; Kevrekidis, P. G.; Penna, V.; Vezzani, A.
2007-01-01
We investigate the ground state of a system of interacting particles in small nonlinear lattices with M⩾3 sites, using as a prototypical example the discrete nonlinear Schrödinger equation that has been recently used extensively in the contexts of nonlinear optics of waveguide arrays and Bose-Einstein condensates in optical lattices. We find that, in the presence of attractive interactions, the dynamical scenario relevant to the ground-state and the lowest-energy modes of such few-site nonlinear lattices reveals a variety of nontrivial features that are absent in the large/infinite lattice limits: the single-pulse solution and the uniform solution are found to coexist in a finite range of the lattice intersite coupling where, depending on the latter, one of them represents the ground state; in addition, the single-pulse mode does not even exist beyond a critical parametric threshold. Finally, the onset of the ground-state (modulational) instability appears to be intimately connected with a nonstandard (“double transcritical”) type of bifurcation that, to the best of our knowledge, has not been reported previously in other physical systems.
The behavior of surface tension on steady-state rotating fluids in the low gravity environments
NASA Technical Reports Server (NTRS)
Hung, R. J.; Leslie, Fred W.
1987-01-01
The effect of surface tension on steady-state rotating fluids in a low gravity environment is studied. All the values of the physical parameters used in these calculations, except in the low gravity environments, are based on the measurements carried out by Leslie (1985) in the low gravity environment of a free-falling aircraft. The profile of the interface of two fluids is derived from Laplace's equation relating the pressure drop across an interface to the radii of curvature which has been applied to a low gravity rotating bubble that contacts the container boundary. The interface shape depends on the ratio of gravity to surface tension forces, the ratio of centrifugal to surface tension forces, the contact radius of the interface to the boundary, and the contact angle. The shape of the bubble is symmetric about its equator in a zero-gravity environment. This symmetry disappears and gradually shifts to parabolic profiles as the gravity environment becomes non-zero. The location of the maximum radius of the bubble moves upward from the center of the depth toward the top boundary of the cylinder as gravity increases. The contact radius of interface to the boundary r0 at the top side of cylinder increases and r0 at the bottom side of the cylinder decreases as the gravity environment increases from zero to 1 g.
Rapidly rotating neutron stars in general relativity: Realistic equations of state
NASA Technical Reports Server (NTRS)
Cook, Gregory B.; Shapiro, Stuart L.; Teukolsky, Saul A.
1994-01-01
We construct equilibrium sequences of rotating neutron stars in general relativity. We compare results for 14 nuclear matter equations of state. We determine a number of important physical parameters for such stars, including the maximum mass and maximum spin rate. The stability of the configurations to quasi-radial perturbations is assessed. We employ a numerical scheme particularly well suited to handle rapid rotation and large departures from spherical symmetry. We provide an extensive tabulation of models for future reference. Two classes of evolutionary sequences of fixed baryon rest mass and entropy are explored: normal sequences, which behave very much like Newtonian sequences, and supramassive sequences, which exist for neutron stars solely because of general relativistic effects. Adiabatic dissipation of energy and angular momentum causes a star to evolve in quasi-stationary fashion along an evolutionary sequence. Supramassive sequences have masses exceeding the maximum mass of a nonrotating neutron star. A supramassive star evolves toward eventual catastrophic collapse to a black hole. Prior to collapse, the star actually spins up as it loses angular momentum, an effect that may provide an observable precursor to gravitational collapse to a black hole.
Martín-Sómer, Ana; Yáñez, Manuel; Hase, William L; Gaigeot, Marie-Pierre; Spezia, Riccardo
2016-03-01
Beyond the established use of thermodynamic vs kinetic control to explain chemical reaction selectivity, the concept of bifurcations on a potential energy surface (PES) is proving to be of pivotal importance with regard to selectivity. In this article, we studied by means of post-transition state (TS) direct dynamics simulations the effect that vibrational and rotational excitation at the TS may have on selectivity on a bifurcating PES. With this aim, we studied the post-TS unimolecular reactivity of the [Ca(formamide)](2+) ion, for which Coulomb explosion and neutral loss reactions compete. The PES exhibits different kinds of nonintrinsic reaction coordinate (IRC) dynamics, among them PES bifurcations, which direct the trajectories to multiple reaction paths after passing the TS. Direct dynamics simulations were used to distinguish between the bifurcation non-IRC dynamics and non-IRC dynamics arising from atomistic motions directing the trajectories away from the IRC. Overall, we corroborated the idea that kinetic selectivity often does not reduce to a simple choice between paths with different barrier heights and instead dynamical behavior after passing the TS may be crucial. Importantly, rotational excitation may play a pivotal role on the reaction selectivity favoring nonthermodynamic products.
Generalized Klein-Gordon models: behavior around the ground state condensate.
Kuetche, Victor K
2014-07-01
In this work, we investigate the balance between the nonlinear and linear interaction energy of an interparticle anharmonic system in the vicinity of the ground state condensate. As a result, we find that the nonlinear interaction energy is very significant in the vicinity of each degree of freedom. We address some potential applications of the findings to miscellaneous areas of interests such as soliton theory, hydrodynamics, solid state physics, ferromagnetic and ferroelectric domain walls, condensed matter physics, and particle physics, among others.
Generalized Klein-Gordon models: Behavior around the ground state condensate
NASA Astrophysics Data System (ADS)
Kuetche, Victor K.
2014-07-01
In this work, we investigate the balance between the nonlinear and linear interaction energy of an interparticle anharmonic system in the vicinity of the ground state condensate. As a result, we find that the nonlinear interaction energy is very significant in the vicinity of each degree of freedom. We address some potential applications of the findings to miscellaneous areas of interests such as soliton theory, hydrodynamics, solid state physics, ferromagnetic and ferroelectric domain walls, condensed matter physics, and particle physics, among others.
NASA Astrophysics Data System (ADS)
de Lange, Marc J. L.; Stolte, Steven; Taatjes, Craig A.; Kłos, Jacek; Groenenboom, Gerrit C.; van der Avoird, Ad
2004-12-01
Relative integrated cross sections are measured for rotationally inelastic scattering of NO(2Π1/2), hexapole selected in the upper Λ-doublet level of the ground rotational state (j=0.5), in collisions with He at a nominal energy of 514 cm-1. Application of a static electric field E in the scattering region, directed parallel or antiparallel to the relative velocity vector v, allows the state-selected NO molecule to be oriented with either the N end or the O end towards the incoming He atom. Laser-induced fluorescence detection of the final state of the NO molecule is used to determine the experimental steric asymmetry, SA≡(σv↑↓E-σv↑↑E)/(σv↑↓E+σv↑↑E), which is equal to within a factor of (-1) to the molecular steric effect, Si→f≡(σHe→NO-σHe→ON)/(σHe→NO+σHe→ON). The dependence of the integral inelastic cross section on the incoming Λ-doublet component is also observed as a function of the final rotational (j'), spin-orbit (Ω'), and Λ-doublet (ɛ') state. The measured steric asymmetries are significantly larger than previously observed for NO-Ar scattering, supporting earlier proposals that the repulsive part of the interaction potential is responsible for the steric asymmetry. In contrast to the case of scattering with Ar, the steric asymmetry of NO-He collisions is not very sensitive to the value of Ω'. However, the Λ-doublet propensities are very different for [Ω=0.5(F1)→Ω'=1.5(F2)] and [Ω=0.5(F1)→Ω'=0.5(F1)] transitions. Spin-orbit manifold conserving collisions exhibit a propensity for parity conservation at low Δj, but spin-orbit manifold changing collisions do not show this propensity. In conjunction with the experiments, state-to-state cross sections for scattering of oriented NO(2Π) molecules with He atoms are predicted from close-coupling calculations on restricted coupled-cluster methods including single, double, and noniterated triple excitations [J. Klos, G. Chalasinski, M. T. Berry, R. Bukowski, and
Luo, Zhihong; Huang, Huang; Chang, Yih-Chung; Zhang, Zheng; Ng, C. Y.; Yin, Qing-Zhu
2014-10-14
Titanium carbide and its cation (TiC/TiC{sup +}) have been investigated by the two-color visible (VIS)-ultraviolet (UV) resonance-enhanced photoionization and pulsed field ionization-photoelectron (PFI-PE) methods. Two visible excitation bands for neutral TiC are observed at 16 446 and 16 930 cm{sup −1}. Based on rotational analyses, these bands are assigned as the respective TiC({sup 3}Π{sub 1}) ← TiC(X{sup 3}Σ{sup +}) and TiC({sup 3}Σ{sup +}) ← TiC(X{sup 3}Σ{sup +}) transition bands. This assignment supports that the electronic configuration and term symmetry for the neutral TiC ground state are …7σ{sup 2}8σ{sup 1}9σ{sup 1}3π{sup 4} (X{sup 3}Σ{sup +}). The rotational constant and the corresponding bond distance of TiC(X{sup 3}Σ{sup +}; v″ = 0) are determined to be B{sub 0}″ = 0.6112(10) cm{sup −1} and r{sub 0}″ = 1.695(2) Å, respectively. The rotational analyses of the VIS-UV-PFI-PE spectra for the TiC{sup +}(X; v{sup +} = 0 and 1) vibrational bands show that the electronic configuration and term symmetry for the ionic TiC{sup +} ground state are …7σ{sup 2}8σ{sup 1}3π{sup 4} (X{sup 2}Σ{sup +}) with the v{sup +} = 0 → 1 vibrational spacing of 870.0(8) cm{sup −1} and the rotational constants of B{sub e}{sup +} = 0.6322(28) cm{sup −1}, and α{sub e}{sup +} = 0.0085(28) cm{sup −1}. The latter rotational constants yield the equilibrium bond distance of r{sub e}{sup +} = 1.667(4) Å for TiC{sup +}(X{sup 2}Σ{sup +}). The cleanly rotationally resolved VIS-UV-PFI-PE spectra have also provided a highly precise value of 53 200.2(8) cm{sup −1} [6.5960(1) eV] for the adiabatic ionization energy (IE) of TiC. This IE(TiC) value along with the known IE(Ti) has made possible the determination of the difference between the 0 K bond dissociation energy (D{sub 0}) of TiC{sup +}(X{sup 2}Σ{sup +}) and that of TiC(X{sup 3}Σ{sup +}) to be D{sub 0}(Ti{sup +}−C) − D{sub 0}(Ti−C) = 0.2322(2) eV. Similar to previous experimental
Andrews, Logan D; Fenn, Tim D; Herschlag, Daniel
2013-07-01
Enzymes stabilize transition states of reactions while limiting binding to ground states, as is generally required for any catalyst. Alkaline Phosphatase (AP) and other nonspecific phosphatases are some of Nature's most impressive catalysts, achieving preferential transition state over ground state stabilization of more than 10²²-fold while utilizing interactions with only the five atoms attached to the transferred phosphorus. We tested a model that AP achieves a portion of this preference by destabilizing ground state binding via charge repulsion between the anionic active site nucleophile, Ser102, and the negatively charged phosphate monoester substrate. Removal of the Ser102 alkoxide by mutation to glycine or alanine increases the observed Pi affinity by orders of magnitude at pH 8.0. To allow precise and quantitative comparisons, the ionic form of bound P(i) was determined from pH dependencies of the binding of Pi and tungstate, a P(i) analog lacking titratable protons over the pH range of 5-11, and from the ³¹P chemical shift of bound P(i). The results show that the Pi trianion binds with an exceptionally strong femtomolar affinity in the absence of Ser102, show that its binding is destabilized by ≥10⁸-fold by the Ser102 alkoxide, and provide direct evidence for ground state destabilization. Comparisons of X-ray crystal structures of AP with and without Ser102 reveal the same active site and P(i) binding geometry upon removal of Ser102, suggesting that the destabilization does not result from a major structural rearrangement upon mutation of Ser102. Analogous Pi binding measurements with a protein tyrosine phosphatase suggest the generality of this ground state destabilization mechanism. Our results have uncovered an important contribution of anionic nucleophiles to phosphoryl transfer catalysis via ground state electrostatic destabilization and an enormous capacity of the AP active site for specific and strong recognition of the phosphoryl group in
Vexiau, R.; Lepers, M. Aymar, M.; Bouloufa-Maafa, N.; Dulieu, O.
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, 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.
NASA Astrophysics Data System (ADS)
Wu, Ling-Na; You, L.
2016-03-01
We show that the ground state of a spin-1 atomic condensate with antiferromagnetic interactions constitutes a useful resource for quantum metrology upon approaching the Heisenberg limit. Unlike a ferromagnetic condensate state where individual atomic spins are aligned in the same direction, the antiferromagnetic ground-state condensate is a condensate of spin-singlet atom pairs. The inherent correlation between paired atoms allows for parameter estimation at precisions beyond the standard quantum limit (SQL) for uncorrelated atoms. The degree of improvement over the SQL is measured by the scaled quantum Fisher information (QFI), whose dependence on the ratio of linear Zeeman shift p to spin-dependent atomic interaction c is studied. At a typical value of p =0.4 c , which corresponds to a magnetic field of 28.6 μ G for c =50 h Hz (for 23Na atom condensate in the F =1 state at a typical density of ˜1014cm-3 ), the scaled QFI can reach ˜0.48 N , which approaches the limit of 0.5 N for the twin-Fock state |N/2 > +|N/2 > - . Our work encourages experimental efforts to reach the ground state of an antiferromagnetic condensate at a extremely low magnetic field.
B2N2O4: Prediction of a Magnetic Ground State for a Light Main-Group Molecule
Varga, Zoltan; Truhlar, Donald G.
2015-09-08
Cyclobutanetetrone, (CO)4, has a triplet ground state. Here we predict, based on electronic structure calculations, that the B2N2O4 molecule also has a triplet ground state and is therefore paramagnetic; the structure is an analogue of (CO)4 in which the carbon ring is replaced by a (BN)2 ring. Similar to (CO)4, the triplet ground-state structure of B2N2O4 is also thermodynamically unstable. Besides analysis of the molecular orbitals, we found that the partial atomic charges are good indicators for predicting magnetic ground states.
Three-body correlations in the ground-state decay of 26O
NASA Astrophysics Data System (ADS)
Kohley, Z.; Baumann, T.; Christian, G.; DeYoung, P. A.; Finck, J. E.; Frank, N.; Luther, B.; Lunderberg, E.; Jones, M.; Mosby, S.; Smith, J. K.; Spyrou, A.; Thoennessen, M.
2015-03-01
Background: Theoretical calculations have shown that the energy and angular correlations in the three-body decay of the two-neutron unbound 26O can provide information on the ground-state wave function, which has been predicted to have a dineutron configuration and 2 n halo structure. Purpose: To use the experimentally measured three-body correlations to gain insight into the properties of 26O , including the decay mechanism and ground-state resonance energy. Method: 26O was produced in a one-proton knockout reaction from 27F and the 24O+n +n decay products were measured using the MoNA-Sweeper setup. The three-body correlations from the 26O ground-state resonance decay were extracted. The experimental results were compared to Monte Carlo simulations in which the resonance energy and decay mechanism were varied. Results: The measured three-body correlations were well reproduced by the Monte Carlo simulations but were not sensitive to the decay mechanism due to the experimental resolutions. However, the three-body correlations were found to be sensitive to the resonance energy of 26O . A 1 σ upper limit of 53 keV was extracted for the ground-state resonance energy of 26O . Conclusions: Future attempts to measure the three-body correlations from the ground-state decay of 26O will be very challenging due to the need for a precise measurement of the 24O momentum at the reaction point in the target.
Equivalent retarder-rotator approach to on-state twisted nematic liquid crystal displays
Duran, Vicente; Lancis, Jesus; Tajahuerce, Enrique; Jaroszewicz, Zbigniew
2006-06-01
Polarization properties of a twisted nematic liquid crystal cell are fully characterized by an equivalent optical system that consists of a retarder wave plate and a rotator. In this paper we show that this result is of interest to optimize the light-modulation capabilities of a voltage-addressed liquid crystal display (LCD). We provide two examples. First, we demonstrate a calibration method that can be carried out by a standard polarimetric technique with a high degree of precision. Second, we propose an optical device to generate a family of equiazimuth polarization states by adding a quarter-wave plate to the LCD. We find that the design procedure is best described in geometrical terms on the Poincare sphere by use of the equivalent model. Finally, laboratory results corresponding to a commercial LCD are presented.
NASA Astrophysics Data System (ADS)
Chabab, M.; Lahbas, A.; Oulne, M.
2015-06-01
In a recent work [Phys. Rev. C 84, 044321 (2011), 10.1103/PhysRevC.84.044321] M. J. Ermamatov and P. R. Fraser have studied rotational and vibrational excited states of axially symmetric nuclei within the Bohr Hamiltonian with different mass parameters. However, the energy formula that the authors have used contains some inaccuracies. So the numerical results they obtained seem to be controversial. In this paper, we revisit all calculations related to this problem and determine the appropriate formula for the energy spectrum. Moreover, in order to improve such calculations, we reconsider this problem within the framework of the deformation-dependent mass formalism. Also, unlike the work of Bonatsos et al. [Phys. Rev. C 83, 044321 (2011), 10.1103/PhysRevC.83.044321], in which the mass parameter has not been considered, we will show the importance of this parameter and its effect on numerical predictions.
National and State Attitudes of US Adults Toward Tobacco-Free School Grounds, 2009–2010
Patel, Roshni; Kegler, Michelle C.; Brener, Nancy D.; King, Brian A.
2015-01-01
Introduction 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. Methods 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. Results 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). Conclusion 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. PMID:26719899
On the hyperfine structures of the ground state(s) in the 6Li and 7Li atoms
NASA Astrophysics Data System (ADS)
Frolov, A. M.
2016-06-01
The hyperfine structure of the ground 22 S-states of the three-electron atoms and ions is investigated. By using our recent numerical values for the doublet electron density at the atomic nucleus, we determine the hyperfine structure of the ground (doublet) 22 S-state(s) in the 6Li and 7Li atoms. Our predicted values (228.2058 and 803.5581 MHz, respectively) agree well with the experimental values 228.20528(8) MHz (6Li) and 803.50404(48) MHz (7Li [R.G. Schlecht and D.W. McColm, Phys. Rev. 142, 11 (1966)]). The hyperfine structures of a number of lithium isotopes with short lifetimes, including 8Li, 9Li, and 11Li atoms are also predicted. The same method is used to obtain the hyperfine structures of the three-electron 7Be+ and 9Be+ ions in their ground 22 S-states. Finally, we conclude that our approach can be generalized to describe the hyperfine structure in the triplet n 3 S-states of the four-electron atoms and ions.
Pejlovas, Aaron M; Lin, Wei; Kukolich, Stephen G
2015-10-01
Microwave spectra for a higher-energy conformer of cyclopropanecarboxylic acid (CPCA) were measured using a Flygare-Balle-type pulsed-beam Fourier transform microwave spectrometer. The rotational constants (in megahertz) and centrifugal distortion constants (in kilohertz) for this higher-energy conformer are A = 7452.3132(57), B = 2789.8602(43), C = 2415.0725(40), DJ = 0.29(53), and DJK = 2.5(12). Differences between rotational constants for this excited-state conformation and the ground state are primarily due to the acidic OH bond moving from a position cis relative to the cyclopropyl group about the C1-C9 bond to the more stable trans conformation. Calculations indicate that the relative abundance of the higher-energy state should be 15% to 17% at room temperature, but the observed relative abundance for the supersonic expansion conditions is about 1%. The measurements of rotational transitions for the trans form of CPCA were extended to include all of the unique (13)C singly substituted positions. These measurements, along with previously measured transitions of the parent and -OD isotopologues, were used to determine a best-fit gas-phase structure.
Jorner, Kjell; Emanuelsson, Rikard; Dahlstrand, Christian; Tong, Hui; Denisova, Aleksandra V; Ottosson, Henrik
2014-07-21
A new qualitative model for estimating the properties of substituted cyclopentadienes and siloles in their lowest ππ* excited states is introduced and confirmed through quantum chemical calculations, and then applied to explain earlier reported experimental excitation energies. According to our model, which is based on excited-state aromaticity and antiaromaticity, siloles and cyclopentadienes are cross-hyperconjugated "aromatic chameleons" that adapt their electronic structures to conform to the various aromaticity rules in different electronic states (Hückel's rule in the π(2) electronic ground state (S0) and Baird's rule in the lowest ππ* excited singlet and triplet states (S1 and T1)). By using pen-and-paper arguments, one can explain polarity changes upon excitation of substituted cyclopentadienes and siloles, and one can tune their lowest excitation energies by combined considerations of ground- and excited-state aromaticity/antiaromaticity effects. Finally, the "aromatic chameleon" model can be extended to other monocyclic compound classes of potential use in organic electronics, thereby providing a unified view of the S0, T1, and S1 states of a range of different cyclic cross-π-conjugated and cross-hyperconjugated compound classes. PMID:25043523
Davis, I.L.
1983-01-01
Two methods for calculating state-changing collisional matrix elements, and hence angular-momentum-mixing cross sections, are presented for a ground state noble gas atom colliding with a Rydberg atom at thermal energies. The first is a fully quantal method using Monte Carlo integration to perform the necessary nonseparable fifteen-dimensional collision integrals. The equations are developed for general treatment in the first and higher Born approximations, the distorted wave approximations,and several close-coupling schemes. The Monte Carlo method is carefully developed and tested for use in the types of integrals involved, and variance reduction techniques are discussed and applied. The second method uses a Gegenbauer polynomial expansion of the -1/r/sup 4/ polarization potential to find the necessary matrix elements. It also employs the elliptic functions and elliptic integrals to calculate the classical trajectory of the ground state atom as it passes the ionic Rydberg core. This semiclassical method is easily transformed into a fully quantal method, retaining only the polarization potential feature, by integrating the translational wave function of the incoming ground state atom and the matrix elements calculated via the Gegenbauer polynomials. The equations of scattering for the first quantal method are then specifically developed for ground state helium colliding with Rydberg helium, and calculation of the l-mixing cross section for He(10/sup 1/P) is performed using over a half million random fifteen-dimensional points. The result, accurate to within a factor of two, gives a result of 1600 A/sup 2/ compared to the experimental value of 2580 +/- 590 A/sup 2/. This experimental value is within the variance of the Monte Carlo calculation.
Ground state cooling of a nanomechanical resonator using electron transport in hybrid systems
NASA Astrophysics Data System (ADS)
Rastelli, Gianluca; Stadler, Pascal; Belzig, Wolfgang
A still open challenge in nanoelectromechanical systems is the achievement of the quantum regime via active cooling and using electron transport. I will discuss active ground state cooling in a bottom-up device, viz. a carbon nanotube quantum dot suspended between two electric nano-contacts, and for two different coherent transport regimes: (i) spin-polarized current between two ferromagnets and (ii) sub-gap Andreev current between a superconductor and a normal metal. I will show that efficient ground state cooling of the resonator can be achieved for realistic parameters of the system and varying the transport parameters, e.g. gate voltage, magnetic field, etc. Finally I will discuss the signatures in the current-voltage characteristics of the non-equilibrium state of the nanoresonator. Zukunftskolleg of the University of Konstanz; DFG through SFB 767 and BE 3803/5.
Understanding degenerate ground states of a protected quantum circuit in the presence of disorder
NASA Astrophysics Data System (ADS)
Dempster, Joshua M.; Fu, Bo; Ferguson, David G.; Schuster, D. I.; Koch, Jens
2014-09-01
A recent theoretical proposal suggests that a simple circuit utilizing two superinductors may produce a qubit with ground-state degeneracy [Brooks, Phys. Rev. A 87, 052306 (2013), 10.1103/PhysRevA.87.052306]. We perform a full circuit analysis along with exact diagonalization of the circuit Hamiltonian to elucidate the nature of the spectrum and low-lying wave functions of this 0-π device. We show that the ground-state degeneracy is robust to disorder in charge, flux, and critical current as well as insensitive to modest variations in the circuit parameters. Our treatment is nonperturbative, provides access to excited states and matrix elements, and is immediately applicable also to intermediate parameter regimes of experimental interest.
Karolewski, Andreas; Kronik, Leeor; Kümmel, Stephan
2013-05-28
Optimally tuned range separated hybrid functionals are a new class of implicitly defined functionals. Their important new aspect is that the range separation parameter in these functionals is determined individually for each system by iteratively tuning it until a fundamental, non-empirical condition is fulfilled. Such functionals have been demonstrated to be extremely successful in predicting electronic excitations. In this paper, we explore the use of the tuning approach for predicting ground state properties. This sheds light on one of its downsides - the violation of size consistency. By analyzing diatomic molecules, we reveal size consistency errors up to several electron volts and find that binding energies cannot be predicted reliably. Further consequences of the consistent ground-state use of the tuning approach are potential energy surfaces that are qualitatively in error and an incorrect prediction of spin states. We discuss these failures, their origins, and possibilities for overcoming them.
Ground state of the Frenkel-Kontorova model with a transverse degree of freedom
NASA Astrophysics Data System (ADS)
Braun, O. M.; Peyrard, M.
1995-05-01
We study the ground state of a generalized Frenkel-Kontorova model with a transverse degree of freedom. The model describes a lattice of atoms with a fixed concentration, interacting by long-range repulsive forces, which is submitted to a two-dimensional substrate potential periodic (sinusoidal) in one direction and symmetric (parabolic) or asymmetric (Toda-like) in the transverse direction. When the magnitude of the interatomic repulsion increases, the ground state of the model undergoes a series of bifurcations. In particular, the first bifurcation leads to a zigzag ground state and results in drastic change of system properties, including a cusp in the average elastic constant. For incommensurate cases, the bifurcation can interplay with the Aubry transition from a pinned to a sliding state. A reentrant pinned state has, for instance, been found. The nature (continuous or discontinuous) of the next bifurcations depends on the symmetry of the substrate potential in the transverse direction. Finally, we discuss briefly the applicability of the model to describe conductivity of superionic conductors, surface diffusion, and crystal growth.
Spectroscopy of ground and excited states of pseudoscalar and vector charmonium and bottomonium
NASA Astrophysics Data System (ADS)
Negash, Hluf; Bhatnagar, Shashank
2016-07-01
In this paper, we calculate the mass spectrum, weak decay constants, two photon decay widths, and two-gluon decay widths of ground (1S) and radially excited (2S, 3S,…) states of pseudoscalar charmoniuum and bottomonium such as ηc and ηb, as well as the mass spectrum and leptonic decay constants of ground state (1S), excited (2S, 1D, 3S, 2D, 4S,…, 5D) states of vector charmonium and bottomonium such as J/ψ, and Υ, using the formulation of Bethe-Salpeter equation under covariant instantaneous ansatz (CIA). Our results are in good agreement with data (where ever available) and other models. In this framework, from the beginning, we employ a 4 × 4 representation for two-body (qq¯) BS amplitude for calculating both the mass spectra as well as the transition amplitudes. However, the price we have to pay is to solve a coupled set of equations for both pseudoscalar and vector quarkonia, which we have explicitly shown get decoupled in the heavy-quark approximation, leading to mass spectral equation with analytical solutions for both masses, as well as eigenfunctions for all the above states, in an approximate harmonic oscillator basis. The analytical forms of eigenfunctions for ground and excited states so obtained are used to evaluate the decay constants and decay widths for different processes.
NASA Astrophysics Data System (ADS)
Aaron, Jean-Jacques; Diabou Gaye, Mame; Párkányi, Cyril; Cho, Nam Sook; Von Szentpály, László
1987-01-01
The ground-state dipole moments of seven biologically important purines (purine, 6-chloropurine, 6-mercaptopurine, hypoxanthine, theobromine, theophylline and caffeine) were determined at 25°C in acetic acid (all the above compounds with the exception of purine) and in ethyl acetate (purine, theophylline and caffeine). Because of its low solubility, it was not possible to measure the dipole moment of uric acid. The first excited singlet-state dipole moments were obtained on the basis of the Bakhshiev and Chamma—Viallet equations using the variation of the Stokes shift with the solvent dielectric constant-refractive index term. The theoretical dipole moments for all the purines listed above and including uric acid were calculated by combining the use of the PPP (π-LCI-SCF-MO) method for the π-contribution to the overall dipole moment with the σ-contribution obtained as a vector sum of the σbond moments and group moments. The experimental and theoretical values were compared with the data available in the literature for some of the purines under study. For several purines, the calculations were carried out for different tautomeric forms. Excited singlet-state dipole moments are smaller than the ground-state values by 0.8 to 2.2 Debye units for all purines under study with the exception of 6-chloropurine. The effects of the structure upon the ground- and excited-state dipole moments of the purines are discussed.
Sign structure and ground-state properties for a spin-S t-J chain
NASA Astrophysics Data System (ADS)
Wang, Qing-Rui; Ye, Peng
2014-07-01
The antiferromagnetic Heisenberg spin chain of odd spin S is in the Haldane phase with several defining physical properties, such as thermodynamical ground-state degeneracy, symmetry-protected edge states, and nonzero string order parameter. If nonzero hole concentration δ and hole hopping energy t are considered, the spin chain is replaced by a spin-S t-J chain. The motivation of this paper is to generalize the discussions of the Haldane phase to the doped spin chain. The first result of this paper is that, for the model considered here, the Z2 sign structure in the usual Ising basis can be totally removed by two consecutive unitary transformations consisting of a spatially local one and a nonlocal one. Direct from the sign structure, the second result of this paper is that the Marshall theorem and the Lieb-Mattis theorem for pure spin systems are generalized to the t-J chain for arbitrary S and δ. A corollary of the theorem provides us with the ground-state degeneracy in the thermodynamic limit. The third result of this paper is about the phase diagram. We show that the defining properties of the Haldane phase survive in the small t /J limit. The large t /J phase supports a gapped spin sector with similar properties (ground-state degeneracy, edge state, and string order parameter) of the Haldane chain, although the charge sector is gapless.
NASA Astrophysics Data System (ADS)
Chew, Kathryn; Vealey, Zachary; Vaccaro, Patrick
2015-06-01
The vibrational and isotopic dependence of the hindered (tunneling-mediated) proton-transfer reaction taking place in the ground electronic state ( X1{A}1) of monodeuterated tropolone (TrOD) has been explored under ambient (bulk-gas) conditions by applying two-color variants of resonant four-wave mixing (RFWM) spectroscopy in conjunction with polarization-resolved detection schemes designed to alleviate spectral complexity and facilitate rovibrational assignments. Full rotation-tunneling analyses of high-resolution spectral profiles acquired for the fundamental and first-overtone bands of a reaction-promoting O-D\\cdotsO deformation/ring-breathing mode, νb{36}(a1), were performed, thereby extracting refined structural and dynamical information that affords benchmarks for the quantitative interpretation of tunneling-induced signatures found in long-range scans of X1{A}1 vibrational levels residing below Etilde{X}vib = 1700 wn}. Observed kinetic isotope effects, which reflect changes in both reaction kinematics and vibrational displacements, will be discussed, with high-level quantum-chemical calculations serving to elucidate state-resolved propensities for proton transfer in TrOH and TrOD.
Photochemical formation of HCO and CH3 on the ground S0 (1A') state of CH3CHO.
Heazlewood, Brianna R; Rowling, Steven J; Maccarone, Alan T; Jordan, Meredith J T; Kable, Scott H
2009-02-01
The dynamics of the photodissociation of CH(3)CHO into CH(3) + HCO products have been investigated at energies between 30,953 and 31,771 cm(-1), spanning the threshold for radical production on the triplet (T(1)) surface. A barrierless pathway to CH(3) + HCO radical products formed on the ground state (S(0)) surface was discovered and established to be an important reaction channel in acetaldehyde photodissociation throughout this wavelength range. HCO laser induced fluorescence (LIF) spectra recorded from CH(3)CHO dissociated above and below the T(1) barrier energy are quite different; HCO produced on S(0) yields a more congested LIF spectrum with sharp rotational transitions, while HCO formed on the T(1) surface displays fewer, more intense, Doppler-broadened lines. These differences have been further explored in the populations of the HCO K(a) = 1 doublets. Despite the upper and lower levels being almost isoenergetic, HCO formed on T(1) preferentially populates the upper K(c) state due to the geometry of the T(1) transition state structure. In contrast, HCO formed on S(0) produces equal population in each of the upper and lower K(a) = 1 components. Product state distributions (PSDs) showed that HCO formed on S(0) is born with an approximately statistical distribution of population in the available product states, modeled well by phase space theory. HCO formed on the T(1) surface, in contrast, has a PSD that can be characterized as arising from "impulsive" dynamics. Previous discrepancies in the height of the T(1) barrier are discussed following the observation that, once the T(1) channel is energetically accessible, there is competition between the S(0) and T(1) pathways, with the dominance of the triplet channel increasing with increasing photolysis energy. PMID:19206976
Thermalization of rotational states of NO A(2)Σ+(v = 0) in an atmospheric pressure plasma.
van Gessel, A F H; Bruggeman, P J
2013-05-28
Laser induced fluorescence (LIF) measurements of nitric oxide (NO) are performed in an atmospheric pressure microwave plasma jet, operated with a mixture of He and 3% air. The fluorescence signal of NO A(2)Σ(+)(v = 0) is measured time and fluorescence wavelength resolved. Based on the evolution of the rotational spectrum at different positions in the plasma, we determined the thermalization time of the rotational distribution of NO A after pumping a single transition, at temperatures in the range 300-1500 K. Also, a LIF-RET (rotational energy transfer) model is developed to simulate the RET and to calculate the thermalization time. The RET rate coefficients are calculated using the energy corrected sudden-exponential power scaling law. It was found that it is necessary to take the fine structure of the rotational states into account. At room temperature the results of the measurement and the simulation are consistent, and the thermalization occurs during the laser pulse (11 ± 1 ns). At elevated temperatures the measurements show a large increase in thermalization time, up to 35 ± 4 ns at 1474 K. This time is much longer than the laser pulse, and of the order of the NO A lifetime. This means that for spectroscopy measurements of the rotational states of NO A, the RET has to be taken into account to derive gas temperatures from the rotational distribution of NO A.
{alpha} decays to ground and excited states of heavy deformed nuclei
Denisov, V. Yu.; Khudenko, A. A.
2009-09-15
The experimental data for {alpha}-decay half-lives to ground and excited states of deformed nuclei with 222{<=}A{<=}252 and 88{<=}Z{<=}102 are analyzed in the framework of the unified model for {alpha} decay and {alpha} capture. The branching ratios to excited states depend on the energy and the angular momentum of the {alpha} particle. The evaluated branching ratios for 0{sub g.s.}{sup +}{yields}0{sub g.s.}{sup +},2{sup +},4{sup +} {alpha} transitions in even-even nuclei agree with the experimental data. The experimental and calculated branching ratios for {alpha} transitions into more highly excited states are similar.
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.
NASA Technical Reports Server (NTRS)
Laub, Bernard; Grinstead, Jay; Dyakonov, Artem; Venkatapathy, Ethiraj
2011-01-01
Though arc jet testing has been the proven method employed for development testing and certification of TPS and TPS instrumentation, the operational aspects of arc jets limit testing to selected, but constant, conditions. Flight, on the other hand, produces timevarying entry conditions in which the heat flux increases, peaks, and recedes as a vehicle descends through an atmosphere. As a result, we are unable to "test as we fly." Attempts to replicate the time-dependent aerothermal environment of atmospheric entry by varying the arc jet facility operating conditions during a test have proven to be difficult, expensive, and only partially successful. A promising alternative is to rotate the test model exposed to a constant-condition arc jet flow to yield a time-varying test condition at a point on a test article (Fig. 1). The model shape and rotation rate can be engineered so that the heat flux at a point on the model replicates the predicted profile for a particular point on a flight vehicle. This simple concept will enable, for example, calibration of the TPS sensors on the Mars Science Laboratory (MSL) aeroshell for anticipated flight environments.
Stonestrom, David A.; Harrill, James R.
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 Ni?o 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 Ni?o 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
Nolan, Bernard T.; Hitt, Kerie J.
2003-01-01
Nutrient concentrations in shallow (well depth of 30 meters or less) ground waters of relatively undeveloped areas were evaluated to determine background conditions relative to agricultural and urban land uses. Lands comprising 67 percent or greater forest or range, 10 percent or less agricultural land, and 10 percent or less urban land were used to represent relatively undeveloped areas. Data subsets from the U.S. Geological Survey's National Water-Quality Assessment Program (81 wells) and retrospective studies (320 wells) yielded 75th percentile nitrate concentrations of 0.51 and 1.1 milligrams per liter, respectively, in shallow ground water beneath relatively undeveloped areas. The value of 1.1 milligrams per liter is a reasonable upper bound estimate of relative background concentration of nitrate in shallow ground waters in the United States and incorporates effects of nominal nitrogen load to susceptible aquifers. Relative background concentration of nitrate is variable and depends in part on land use, rock type, and climate. Median nitrate concentration was significantly greater in ground water beneath rangeland (1.20 milligrams per liter) than beneath forest land (0.06 milligram per liter). Median nitrate concentration in ground water beneath rangeland was 1.4-2.7 milligrams per liter in susceptible aquifers, which consist of coarse-textured deposits or fractured rock. Increased relative background concentration of nitrate in rangeland areas likely results from evaporative concentration of nominal nitrogen load associated with natural organic and inorganic sources in hydrogeologically susceptible settings.
Antiferromagnetic ground state with pair-checkerboard order in FeSe
NASA Astrophysics Data System (ADS)
Cao, Hai-Yuan; Chen, Shiyou; Xiang, Hongjun; Gong, Xin-Gao
2015-01-01
A monolayer FeSe thin film grown on SrTiO3(001) (STO) shows the sign of Tc>77 K , which is higher than the Tc record of 56 K for bulk FeAs-based superconductors. However, little is known about the magnetic ground state of FeSe, which should be closely related to its unusual superconductivity. Previous studies presume the collinear stripe antiferromagnetic (AFM) state as the ground state of FeSe, the same as that in FeAs superconductors. Here we find a magnetic order named the "pair-checkerboard AFM" as the magnetic ground state of tetragonal FeSe. The pair-checkerboard order results from the interplay between the nearest-, next-nearest, and unnegligible next-next-nearest neighbor magnetic exchange couplings of Fe atoms. The monolayer FeSe in pair-checkerboard order shows an unexpected insulating behavior with a Dirac-cone-like band structure related to the specific orbital order of the dx z and dy z characters of Fe atoms, which could explain the recently observed insulator-superconductor transition. The present results cast insights on the magnetic ordering in FeSe monolayer and its derived superconductors.
Correlation between ground state and orbital anisotropy in heavy fermion materials
Willers, Thomas; Strigari, Fabio; Hu, Zhiwei; Sessi, Violetta; Brookes, Nicholas B.; Bauer, Eric D.; Sarrao, John L.; Thompson, J. D.; Tanaka, Arata; Wirth, Steffen; et al
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 CeRh1₋xIrxIn5 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
Guidelines for earthquake ground motion definition for the eastern United States
Gwaltney, R.C.; Aramayo, G.A.; Williams, R.T.
1985-01-01
Guidelines for the determination of earthquake ground-motion definition for the eastern United States are established in this paper. Both far-field and near-field guidelines are given. The guidelines were based on an extensive review of the current procedures for specifying ground motion in the United States. Both empirical and theoretical procedures were used in establishing the guidelines because of the low seismicity in the eastern United States. Only a few large to great (M > 7.5) sized earthquakes have occurred in this region, no evidence of tectonic surface ruptures related to historic or Holocene earthquakes have been found, and no currently active plate boundaries of any kind are known in this region. Very little instrumented data has been gathered in the East. Theoretical procedures are proposed so that in regions of almost no data a reasonable level of seismic ground motion activity can be assumed. The guidelines are to be used to develop the Safe Shutdown Earthquake, SSE. A new procedure for establishing the Operating Basis Earthquake, OBE, is proposed, in particular for the eastern United States. The OBE would be developed using a probabilistic assessment of the geological conditions and the recurrence of seismic events at a site. These guidelines should be useful in development of seismic design requirements for future reactors. 17 refs., 2 figs., 1 tab.
Correlation between ground state and orbital anisotropy in heavy fermion materials
Willers, Thomas; Strigari, Fabio; Hu, Zhiwei; Sessi, Violetta; Brookes, Nicholas B.; Bauer, Eric D.; Sarrao, John L.; Thompson, J. D.; Tanaka, Arata; Wirth, Steffen; Tjeng, Liu Hao; Severing, Andrea
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 of the strongly correlated materials CeRh_{1₋x}Ir_{x}In_{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.
Fast rotating neutron stars with realistic nuclear matter equation of state
NASA Astrophysics Data System (ADS)
Cipolletta, F.; Cherubini, C.; Filippi, S.; Rueda, J. A.; Ruffini, R.
2015-07-01
We construct equilibrium configurations of uniformly rotating neutron stars for selected relativistic mean-field nuclear matter equations of state (EOS). We compute, in particular, the gravitational mass (M ), equatorial (Req) and polar (Rpol) radii, eccentricity, angular momentum (J ), moment of inertia (I ) and quadrupole moment (M2) of neutron stars stable against mass shedding and secular axisymmetric instability. By constructing the constant frequency sequence f =716 Hz of the fastest observed pulsar, PSR J1748-2446ad, and constraining it to be within the stability region, we obtain a lower mass bound for the pulsar, Mmin=[1.2 - 1.4 ]M⊙ , for the EOS employed. Moreover, we give a fitting formula relating the baryonic mass (Mb) and gravitational mass of nonrotating neutron stars, Mb/M⊙=M /M⊙+(13 /200 )(M /M⊙)2 [or M /M⊙=Mb/M⊙-(1 /20 )(Mb/M⊙)2], which is independent of the EOS. We also obtain a fitting formula, although not EOS independent, relating the gravitational mass and the angular momentum of neutron stars along the secular axisymmetric instability line for each EOS. We compute the maximum value of the dimensionless angular momentum, a /M ≡c J /(G M2) (or "Kerr parameter"), (a /M )max≈0.7 , found to be also independent of the EOS. We then compare and contrast the quadrupole moment of rotating neutron stars with the one predicted by the Kerr exterior solution for the same values of mass and angular momentum. Finally, we show that, although the mass quadrupole moment of realistic neutron stars never reaches the Kerr value, the latter is closely approached from above at the maximum mass value, as physically expected from the no-hair theorem. In particular, the stiffer the EOS, the closer the mass quadrupole moment approaches the value of the Kerr solution.
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.
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.
Ortega, Jason M.; Sabari, Kambiz
2005-12-27
An aerodynamic base drag reduction apparatus and method for bluff bodies, such as tractor-trailer trucks, utilizing a pair of lift surfaces extending to lift surface tips and located alongside the bluff body such as on opposing left and right side surfaces. In a flowstream substantially parallel to the longitudinal centerline of the bluff body, the pair of lift surfaces generate a pair of counter-rotating trailing vortices which confluence together in the wake of the bluff body in a direction orthogonal to the flowstream. The confluence draws or otherwise turns the flowstream, such as the flowstream passing over a top surface of the bluff body, in and around behind a trailing end of the bluff body to raise the pressure on a base surface at the trailing end and thereby reduce the aerodynamic base drag.
Ortega, Jason M.; Salari, Kambiz
2005-08-09
An aerodynamic base drag reduction apparatus and method for bluff bodies, such as tractor-trailer trucks, utilizing a pair of lift surfaces extending to lift surface tips and located alongside the bluff body such as on opposing left and right side surfaces. In a flowstream substantially parallel to the longitudinal centerline of the bluff body, the pair of lift surfaces generate a pair of counter-rotating trailing vortices which confluence together in the wake of the bluff body in a direction orthogonal to the flowstream. The confluence draws or otherwise turns the flowstream, such as the flowstream passing over a top surface of the bluff body, in and around behind a trailing end of the bluff body to raise the pressure on a base surface at the trailing end and thereby reduce the aerodynamic base drag.
Competing ground states of strongly correlated bosons in the Harper-Hofstadter-Mott model
NASA Astrophysics Data System (ADS)
Natu, Stefan S.; Mueller, Erich J.; Das Sarma, S.
2016-06-01
Using an efficient cluster approach, we study the physics of two-dimensional lattice bosons in a strong magnetic field in the regime where the tunneling is much weaker than the on-site interaction strength. We study both the dilute, hard-core bosons at filling factors much smaller than unity occupation per site and the physics in the vicinity of the superfluid-Mott lobes as the density is tuned away from unity. For hard-core bosons, we carry out extensive numerics for a fixed flux per plaquette ϕ =1 /5 and ϕ =1 /3 . At large flux, the lowest-energy state is a strongly correlated superfluid, analogous to He-4, in which the order parameter is dramatically suppressed, but nonzero. At filling factors ν =1 /2 ,1 , we find competing incompressible states which are metastable. These appear to be commensurate density wave states. For small flux, the situation is reversed and the ground state at ν =1 /2 is an incompressible density wave solid. Here, we find a metastable lattice supersolid phase, where superfluidity and density wave order coexist. We then perform careful numerical studies of the physics near the vicinity of the Mott lobes for ϕ =1 /2 and ϕ =1 /4 . At ϕ =1 /2 , the superfluid ground state has commensurate density wave order. At ϕ =1 /4 , incompressible phases appear outside the Mott lobes at densities n =1.125 and n =1.25 , corresponding to filling fractions ν =1 /2 and 1, respectively. These phases, which are absent in single-site mean-field theory, are metastable and have slightly higher energy than the superfluid, but the energy difference between them shrinks rapidly with increasing cluster size, suggestive of an incompressible ground state. We thus explore the interplay between Mott physics, magnetic Landau levels, and superfluidity, finding a rich phase diagram of competing compressible and incompressible states.
Ground Water Atlas of the United States: Segment 1, California, Nevada
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
Fujiwara, Hidenori; Naimen, Sho; Higashiya, Atsushi; Kanai, Yuina; Yomosa, Hiroshi; Yamagami, Kohei; Kiss, Takayuki; Kadono, Toshiharu; Imada, Shin; Yamasaki, Atsushi; Takase, Kouichi; Otsuka, Shintaro; Shimizu, Tomohiro; Shingubara, Shoso; Suga, Shigemasa; Yabashi, Makina; Tamasaku, Kenji; Ishikawa, Tetsuya; Sekiyama, Akira
2016-05-01
An angle-resolved linearly polarized hard X-ray photoemission spectroscopy (HAXPES) system has been developed to study the ground-state symmetry of strongly correlated materials. The linear polarization of the incoming X-ray beam is switched by a transmission-type phase retarder composed of two diamond (100) crystals. The best value of the degree of linear polarization was found to be -0.96, containing a vertical polarization component of 98%. A newly developed low-temperature two-axis manipulator enables easy polar and azimuthal rotations to select the detection direction of photoelectrons. The lowest temperature achieved was 9 K, offering the chance to access the ground state even for strongly correlated electron systems in cubic symmetry. A co-axial sample monitoring system with long-working-distance microscope enables the same region on the sample surface to be measured before and after rotation. Combining this sample monitoring system with a micro-focused X-ray beam by means of an ellipsoidal Kirkpatrick-Baez mirror (25 µm × 25 µm FWHM), polarized valence-band HAXPES has been performed on NiO for voltage application as resistive random access memory to demonstrate the micro-positioning technique and polarization switching.
NASA Astrophysics Data System (ADS)
Kang, Baotao; Jang, Du-Jeon; Lee, Jin Yong
2015-07-01
Alcohols mediated 7-hydroxyquinoline (7-HQ) complex has received enormous attractions on the issue of proton transfer reaction in the ground and excited states. In the present paper, concentrating on the ground state proton transfer (GSPT), density functional theory (DFT) calculations were carried out to investigate the intrinsic insight into the reaction mechanism. We found that the GSPT is concerted and asynchronous process and can be accelerated by more acidic alcohol. Such GSPT was initiated by the proton transfer from alcohol to keto group of 7-HQ and finished by the proton transfer from nitrogen to alcohol. Our findings were in agreement with experimental conclusions quite well. Our results would be helpful to understand the proton transfer reaction for 7-HQ and related systems.
Lowering of ground state induced by core-shell structure in strontium titanate
NASA Astrophysics Data System (ADS)
Kiat, J. M.; Hehlen, B.; Anoufa, M.; Bogicevic, C.; Curfs, C.; Boyer, B.; Al-Sabbagh, M.; Porcher, F.; Al-Zein, A.
2016-04-01
A new ground state of textbook compound strontium titanate (SrTi O3) is obtained by inducing a specific core-shell structure of the particles. Using a combination of high energy synchrotron and neutron diffraction, we demonstrate a lowering of the ferroelastic ground state towards a new antiferrodistortive phase, accompanied with strong shifts of the critical temperature. This new phase is discussed within the Landau theory and compared with the situation in thin films and during pressure experiments. The crucial competition between particle shape anisotropy, surface tension, and shear strain is analyzed. Inducing a specific core-shell structure is therefore an easy way to tailor structural properties and to stabilize new phases that cannot exist in bulk material, just like film deposition on a substrate.
Phase diagram of quantum critical system via local convertibility of ground state
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
Universal Wave-Function Overlap and Universal Topological Data from Generic Gapped Ground States.
Moradi, Heidar; Wen, Xiao-Gang
2015-07-17
We propose a way-universal wave-function overlap-to extract universal topological data from generic ground states of gapped systems in any dimensions. Those extracted topological data might fully characterize the topological orders with a gapped or gapless boundary. For nonchiral topological orders in (2+1)D, these universal topological data consist of two matrices S and T, which generate a projective representation of SL(2,Z) on the degenerate ground state Hilbert space on a torus. For topological orders with a gapped boundary in higher dimensions, these data constitute a projective representation of the mapping class group MCG(M^{d}) of closed spatial manifold M^{d}. For a set of simple models and perturbations in two dimensions, we show that these quantities are protected to all orders in perturbation theory. These overlaps provide a much more powerful alternative to the topological entanglement entropy and allow for more efficient numerical implementations.
The theoretical study of the ground-state polar chromium-alkali-metal-atom molecules
NASA Astrophysics Data System (ADS)
Deng, Lijuan; Gou, Dezhi; Chai, Junshuai
2016-04-01
Potential energy curves and permanent dipole moments of the 6Σ+ and 8Σ+ ground state of CrX (X = Li, Na, K, Rb and Cs) are calculated by employing the complete active space self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) methods. The spectroscopic constants for the 6Σ+ and 8Σ+ ground state of these molecules are calculated. Moreover, CrK, CrRb and CrCs molecules with large values of permanent dipole moment (CrK: 5.553 D, CrRb: 6.341 D and CrCs: 6.731 D) at the equilibrium bond distance are potentially interesting candidates for ultracold anisotropic long-range dipole-dipole interactions and many-body physics studies.