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Sample records for ground state rotational

  1. 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.

  2. On the internal rotations in p-cresol in its ground and first electronically excited states

    NASA Astrophysics Data System (ADS)

    Hellweg, Arnim; Hättig, Christof

    2007-07-01

    The overall rotation and internal rotation of p-cresol (4-methyl-phenol) has been studied by comparison of the microwave spectrum with accurate ab initio calculations using the principal axis method in the electronic ground state. Both internal rotations, the torsions of the methyl and the hydroxyl groups relative to the aromatic ring, have been investigated. The internal rotation of the hydroxyl group can be approximately described as the motion of a symmetrical rotor on an asymmetric frame. For the methyl group it has been found that the potential barrier hindering its internal rotation is very small with the first two nonvanishing Fourier coefficients of the potential V3 and V6 in the same order of magnitude. Different splittings of b-type transitions for the A and E species of the methyl torsion indicate a top-top interaction between both internal rotors through the benzene ring. An effective coupling potential for the top-top interaction could be estimated. The hindering barriers of the hydroxyl and methyl rotation have been calculated using second-order Møller-Plesset perturbation theory and the approximate coupled-cluster singles-and-doubles model (CC2) in the ground state and using CC2 and the algebraic diagrammatic construction through second order in the first electronically excited state. The results are in excellent agreement with the experimental values.

  3. Population of ground-state rotational bands of superheavy nuclei produced in complete fusion reactions

    NASA Astrophysics Data System (ADS)

    Zubov, A. S.; Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.

    2011-10-01

    Using the statistical and quantum diffusion approaches, we study the population of ground-state rotational bands of superheavy nuclei produced in the fusion-evaporation reactions 208Pb(48Ca,2n)254No, 206Pb(48Ca,2n)252No, and 204Hg(48Ca,2n)250Fm. By describing the relative intensities of E2 transitions between the rotational states, the entry spin distributions of residual nuclei, and the excitation functions for these reactions, the dependence of fission barriers of shell-stabilized nuclei on angular momentum is investigated.

  4. 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.

  5. 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.

  6. Ground and Low-Lying Collective States of Rotating Three-Boson System

    NASA Astrophysics Data System (ADS)

    Imran, Mohd.; Ahsan, M. A. H.

    2016-04-01

    The ground and low-lying collective states of a rotating system of N = 3 bosons harmonically confined in quasi-two-dimension and interacting via repulsive finite-range Gaussian potential is studied in weakly to moderately interacting regime. The N-body Hamiltonian matrix is diagonalized in subspaces of quantized total angular momenta 0 ≥ L ≥ 4N to obtain the ground and low-lying eigenstates. Our numerical results show that breathing modes with N-body eigenenergy spacing of 2ħω⊥, known to exist in strictly 2D system with zero-range (δ-function) interaction potential, may as well exist in quasi-2D system with finite-range Gaussian interaction potential. To gain an insight into the many-body states, the von Neumann entropy is calculated as a measure of quantum correlation and the conditional probability distribution is analyzed for the internal structure of the eigenstates. In the rapidly rotating regime the ground state in angular momentum subspaces L = (q/2)N (N ‑ 1) with q = 2, 4 is found to exhibit the anticorrelation structure suggesting that it may variationally be described by a Bose-Laughlin like state. We further observe that the first breathing mode exhibits features similar to the Bose-Laughlin state in having eigenenergy, von Neumann entropy and internal structure independent of interaction for the three-boson system considered here. On the contrary, for eigenstates lying between the Bose-Laughlin like ground state and the first breathing mode, values of eigenenergy, von Neumann entropy and internal structure are found to vary with interaction.

  7. Ground state of rotating ultracold quantum gases with anisotropic spin—orbit coupling and concentrically coupled annular potential

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Tan, Ren-Bing; Du, Zhi-Jing; Zhao, Wen-Yu; Zhang, Xiao-Fei; Zhang, Shou-Gang

    2014-07-01

    Motivated by recent experimental realization of synthetic spin—orbit coupling in neutral quantum gases, we consider the quasi-two-dimensional rotating two-component Bose—Einstein condensates with anisotropic Rashba spin—orbit coupling subject to concentrically coupled annular potential. For experimentally feasible parameters, the rotating condensate exhibits a variety of rich ground state structures by varying the strengths of the spin—orbit coupling and rotational frequency. Moreover, the phase transitions between different ground state phases induced by the anisotropic spin—orbit coupling are obviously different from the isotropic one.

  8. Line strengths of rovibrational and rotational transitions within the X^3Σ {^-} ground state of NH

    NASA Astrophysics Data System (ADS)

    Brooke, James S. A.; Bernath, Peter F.; Western, Colin M.; van Hemert, Marc C.; Groenenboom, Gerrit C.

    2014-08-01

    A new line list for rovibrational and rotational transitions, including fine structure, within the NH X^3Σ {^-} ground state has been created. It contains line intensities in the form of Einstein A and f-values, for all possible bands up to v' = 6, and for J up to between 25 and 44. The intensities are based on a new dipole moment function (DMF), which has been calculated using the internally contracted multi-reference configuration interaction method with an aug-cc-pV6Z basis set. The programs RKR1, LEVEL, and PGOPHER were used to calculate line positions and intensities using the most recent spectroscopic line position observations and the new DMF, including the rotational dependence on the matrix elements. The Hund's case (b) matrix elements from the LEVEL output (available as Supplement 1 of the supplementary material) have been transformed to the case (a) form required by PGOPHER. New relative intensities for the (1,0) band have been measured, and the calculated and observed Herman-Wallis effects are compared, showing good agreement. The line list (see Supplement 5 of the supplementary material) will be useful for the study of NH in astronomy, cold and ultracold molecular systems, and in the nitrogen chemistry of combustion.

  9. 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

  10. Passive Measurement of Hydrogen Ground State Rotational and Vibrational Temperatures in Kinetic Plasmas

    SciTech Connect

    D.R. Farley, D.P. Ludberg and S.A. Cohen

    2010-09-21

    A dipole-quadrupole electron-impact excitation model, consistent with molecular symmetry rules, is presented to fit ro-vibronic spectra of the hydrogen Fulcher-α Q-branch line emissions for passively measuring the rotational temperature of hydrogen neutral molecules in kinetic plasmas with the coronal equilibrium approximation. A quasi-rotational temperature and quadrupole contribution factor are adjustable parameters in the model. Quadrupole excitation is possible due to a violation of the 1st Born approximation for low to medium energy electrons (up to several hundred eV). The Born-Oppenheimer and Franck-Condon approximations are implicitly shown to hold. A quadrupole contribution of 10% is shown to fit experimental data at several temperatures from different experiments with electron energies from several to 100 eV. A convenient chart is produced to graphically determine the vibrational temperature of the hydrogen molecules from diagonal band intensities, if the ground state distribution is Boltzmann. Hydrogen vibrational modes are long-lived, surviving up to thousands of wall collisions, consistent with multiple other molecular dynamics computational results. The importance of inter-molecular collisions during a plasma pulse are also discussed.

  11. 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.

  12. Calculation of Ground State Rotational Populations for Kinetic Gas Homonuclear Diatomic Molecules including Electron-Impact Excitation and Wall Collisions

    SciTech Connect

    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.

  13. 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).

  14. The Rotational Spectra of Propyne in the Ground, V(10) = 1, V(10) = 2, and V(9) = 1 Vibrational States

    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.

  15. Rotation vibration energy level clustering in the XB1 ground electronic state of PH2

    NASA Astrophysics Data System (ADS)

    Yurchenko, S. N.; Thiel, W.; Jensen, Per; Bunker, P. R.

    2006-10-01

    We use previously determined potential energy surfaces for the Renner-coupled XB1 and AA1 electronic states of the phosphino (PH 2) free radical in a calculation of the energies and wavefunctions of highly excited rotational and vibrational energy levels of the X˜ state. We show how spin-orbit coupling, the Renner effect, rotational excitation, and vibrational excitation affect the clustered energy level patterns that occur. We consider both 4-fold rotational energy level clustering caused by centrifugal distortion, and vibrational energy level pairing caused by local mode behaviour. We also calculate ab initio dipole moment surfaces for the X˜ and A˜ states, and the X˜-A˜ transition moment surface, in order to obtain spectral intensities.

  16. High-Resolution Rotational Analysis of Deuterated Hypochlorous Acid: Ground State, (100), and (020) Vibrational States

    NASA Astrophysics Data System (ADS)

    Zheng, Jing-Jing; Ulenikov, O. N.; Bekhtereva, E. S.; Ding, Yun; He, Sheng-Gui; Hu, Shui-Ming; Wang, Xiang-Huai; Zhu, Qing-Shi

    2001-09-01

    The high-resolution Fourier transform spectra of the DOCl molecule were recorded and analyzed in the region of the ν1 and 2ν2 bands. Transitions belonging to the ν1 and 2ν2 bands were assigned up to Jmax=55 and 46, respectively. The sets of spectroscopic parameters of the (100) and (020) vibrational states obtained from the fit reproduce their energies derived from the experimental data with accuracies close to experimental uncertainties.

  17. Potential function of the internal rotation of a methacrolein molecule in the ground ( S 0) electronic state

    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.

  18. The ground states and spin textures of rotating two-component Bose-Einstein condensates in an annular trap

    NASA Astrophysics Data System (ADS)

    Jin, Jingjing; Zhang, Suying; Han, Wei; Wei, Zhifeng

    2013-04-01

    We investigate the ground states and spin textures of rotating two-component Bose-Einstein condensates (BECs) confined in an annular potential. For the two-component miscible BECs, we analytically give the critical angular velocity of each component with the Thomas-Fermi approximation (TFA), at which the density profile changes from a disc shape into an annulus shape, forming a giant vortex. We present a phase diagram showing three kinds of density profiles of the ground states that are two disc shaped, one disc and another annulus shaped, and two annulus shaped. For the two-component immiscible BECs with particle number grave imbalance, we also discuss their ground states using the TFA, and three kinds of symmetrical structures of the density profiles are classified analytically. The spin textures of the two-component immiscible BECs have been studied and we find three kinds of symmetrical structures of the spin textures in the annular trap. One of these textures is an annular skyrmion which has been observed in harmonic potentials. Both of the other spin textures contain a new structure composed of concentric double-annulus skyrmion whose topological charge is the sum of the ones of two annular skyrmions, and the topological charge of each annular skyrmion is equal to the absolute value of the difference between the quantum numbers of circulation of two components inside this annular skyrmion. We also prove that these new textures are robust by investigating the dynamical behaviours of the system under external disturbances.

  19. A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels

    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.

  20. Excitation of the ground state rotational band in 20Ne by 0.8 GeV protons

    NASA Astrophysics Data System (ADS)

    Blanpied, G. S.; Balchin, G. A.; Langston, G. E.; Ritchie, B. G.; Barlett, M. L.; Hoffmann, G. W.; McGill, J. A.; Franey, M. A.; Gazzaly, M.; Wildenthal, B. H.

    1984-10-01

    Angular distributions for the scattering of 0.8 GeV polarized protons from the ground state rotational band in 20Ne are reported. Cross sections and analyzing powers for protons exciting these states were measured with a high resolution spectrometer. Coupled channels and distorted wave Born approximation analyses of scattering data for the 0+, 2+, 4+, and experimentally unresolved 6+ states are presented. The observed cross section data for the 0+, 2+, and 4+ states are reproduced quite well with the coupled channels calculations, and the large hexadecapole deformation reported previously is confirmed. The distorted wave Born approximation results are equally good for the 0+ angular distribution, but are a significantly poorer representation of the cross section data for the 2+ and 4+ states. Both calculations do equally well in explaining the 0+ analyzing power data and both fail to explain the 4+ analyzing power data past the region of the first maximum. The coupled channels results do a better job in explaining the 2+ analyzing power data. The multipole moments of the deformed optical potential used in the coupled channels calculations are related to those of the matter distributions by Satchler's theorem. These are compared to the moments found using other hadronic probes, those of the charge distribution determined by electromagnetic measurements, and to moments from shell model and Hartree-Fock calculations.

  1. Rotational energy surface and quasiclassical analysis of the rotational energy level cluster formation in the ground vibrational state of PH 3

    NASA Astrophysics Data System (ADS)

    Petrov, Sergey V.; Kozlovskii, Borislav M.

    2007-06-01

    We report and substantiate a method for constructing the rotational energy surface (RES) of a molecule as a pure classical object. For an arbitrary molecule we start from the potential energy surface rather than from a conventional "effective Hamiltonian". The method is used for constructing the RES of the PH 3 molecule in its ground vibrational state. We have used an ab initio potential energy surface [D. Wang, Q. Shi, Q.-S. Zhu, J. Chem. Phys. 112 (2000) 9624-9631; S.N. Yurchenko, M. Carvajal, P. Jensen, F. Herregodts, T.R. Huet, Chem. Phys. 290 (2003) 59-67.]. The shape of the RES is shown not to change for J from 0 to 120. The procedure of quasiclassical quantization of the RES was also undertaken, yielding a set of quasiclassical critical values of the angular momentum. The results explain the structure of quantum rotational energy levels obtained by variational calculations [S.N. Yurchenko, W. Thiel, S. Patchkovskii, P. Jensen, Phys. Chem. Chem. Phys. 7 (2005) 573-582].

  2. Torsional Splitting in the Rotational Spectrum from 8 TO 650 GHz of the Ground State of 1,1-DIFLUOROACETONE

    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.

  3. π*-σ* hyperconjugation mechanism on the rotational barrier of the methyl group (III): Methyl-azabenzenes in the ground, excited, and anionic states

    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.

  4. Dimethyl ether: laboratory spectra up to 2.1 THz. Torsion-rotational spectra within the vibrational ground state

    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

  5. Analysis of the rotational spectrum of the ground and first torsional excited states of monodeuterated ethane, CH3CH2D

    NASA Astrophysics Data System (ADS)

    Daly, Adam M.; Drouin, Brian J.; Groner, Peter; Yu, Shanshan; Pearson, John C.

    2015-01-01

    The pure rotational spectrum of mono-deuterated ethane, CH3CH2D, has been measured up to 1600 GHz and spectroscopic constants have been fit to 984 transitions in the ground state and 422 transitions in the first torsional excited state (ν18). Analyses of the ground state data were performed with the programs SPFIT, ERHAM and XIAM and of the first torsional state with SPFIT and ERHAM to extract molecular and spectroscopic constants. A combined fit of both states using ERHAM was used to determine ρ = 0.4344026(68), which in the symmetric limit is the ratio Iα/Iz and a measure of the periodicity of the internal rotation energy with K and the energy differences between the A and E torsional substates, ΔE(E-A), of 74.167(18) and -3382.23(34) MHz for the ground and excited states, respectively. Using these energy differences and the overtone transitions Δv = 2 from Raman measurements in the literature, the coefficients V3 and V6 of the potential function of the internal rotation in CH3CH2D were determined as V3 = 1004.56(4) cm-1 and V6 = 7.09(12) cm-1. This analysis lays the ground work for the assignment of the IR spectrum of CH3CH2D between (680-880 cm-1) which will help quantify isotopic ratios by remote sensing missions.

  6. Rotational spectrum of SO3 and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground state

    NASA Astrophysics Data System (ADS)

    Underwood, Daniel S.; Yurchenko, Sergei N.; Tennyson, Jonathan; Jensen, Per

    2014-06-01

    The structure of the purely rotational spectrum of sulphur trioxide 32S16O3 is investigated using a new synthetic line list. The list combines line positions from an empirical model with line intensities determined, in the form of Einstein coefficients, from variationally computed ro-vibrational wavefunctions in conjunction with an ab initio dipole moment surface. The empirical model providing the line positions involves an effective, Watsonian-type rotational Hamiltonian with literature parameter values resulting from least-squares fittings to observed transition frequencies. The formation of so-called 6-fold rotational energy clusters at high rotational excitation are investigated. The SO3 molecule is planar at equilibrium and exhibits a unique type of rotational-energy clustering associated with unusual stabilization axes perpendicular to the S-O bonds. This behaviour is characterized theoretically in the J range from 100-250. The wavefunctions for these cluster states are analysed, and the results are compared to those of a classical analysis in terms of the rotational-energy-surface formalism.

  7. Rotational Spectrum of SO_3 and Theoretical Evidence for the Formation of Rotational Energy Level Clusters in its Vibrational Ground State

    NASA Astrophysics Data System (ADS)

    Underwood, Daniel S.; Yurchenko, Sergei N.; Tennyson, Jonathan; Jensen, Per

    2014-06-01

    The structure of the purely rotational spectrum of sulphur trioxide SO_3 is investigated using a new synthetic line list. The list combines line positions from an empirical model with line intensities determined, in the form of Einstein coefficients, from variationally computed ro-vibrational wavefunctions in conjunction with an ab initio dipole moment surface. The empirical model providing the line positions involves an effective, Watsonian-type rotational Hamiltonian with literature parameter values resulting from least-squares fittings to observed transition frequencies. The formation of so-called rotational energy clusters at high rotational excitation are investigated. The SO_3 molecule is planar at equilibrium and exhibits a unique type of rotational-energy clustering associated with unusual stabilization axes perpendicular to the S--O bonds. This behaviour is characterized theoretically in the J range from 100 through 250. The wavefunctions for these cluster states are analysed, and the results are compared to those of a classical analysis in terms of the rotational-energy-surface formalism.

  8. New Line Lists for Rovibrational and Rotational Transitions Within the NH X^3Σ{^-} and OH X^2Π Ground States

    NASA Astrophysics Data System (ADS)

    Brooke, James S. A.; Bernath, Peter F.; Western, Colin; Li, Gang; Groenenboom, Gerrit

    2014-06-01

    A new line list for rovibrational and rotational transitions within the NH X^3Σ{^-} ground state has been created, including line intensities in the form of Einstein A and f-values, for all possible bands up to v^'=6. The intensities are based on a new dipole moment function (DMF), which has been calculated using the internally contracted MRCI method with an aug-cc-pV6Z basis set. The programs RKR1, LEVEL and PGOPHER were used to calculate line positions and intensities using the most recent spectroscopic observations and the new DMF, and including the rotational dependence on the matrix elements. The Hund's case (b) matrix elements from the LEVEL output have been transformed to the case (a) form required by PGOPHER. Equivalent calculations have been performed for the OH X^2Π ground state. This includes a new DMF calculation using the internally contracted MR-ACPF method with an aug-cc-pV6Z basis set. A similar line list has been produced for rovibrational and rotational transitions for all possible transitions up to v^'=13.

  9. Rotation-torsion analysis of the Si2H6 infrared fundamental ν, perturbed by excited torsional levels of the vibrational ground state

    NASA Astrophysics Data System (ADS)

    Lattanzi, F.; di Lauro, C.; Horneman, V.-M.

    The lowest infrared active perpendicular fundamental ν9 of disilane has been analysed on a Fourier transform spectrum between 320 and 430 cm-1, at the spectral resolution of 0.0012 cm-1. The rotation-torsion structure of this band is affected by x,y Coriolis interactions with excited torsional levels of the vibrational ground state, correlating with components of 3ν4 and 4ν4 in the high barrier limit. The interaction of ν9 and 4ν4, forbidden in the D3d symmetry limit, is allowed between components of E torsional symmetry under the G36(EM) extended molecular group, because of the large amplitude of the internal rotation motion. We could determine the values of the main vibration-rotation-torsion parameters of ν9, interaction parameters, and the vibrational wavenumbers of the four torsional components of 3ν4 and of the E3d component of 4ν4. The intrinsic torsional splitting of ν9 is found to be smaller than in the ground vibrational state by 0.0066 cm-1, in good agreement with our theoretical predictions. The possibility of observing the effects of D3d-forbidden interactions in the spectra of ethane-like molecules is also discussed.

  10. 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.

  11. Direct observation of the fundamental vibration-rotation transitions within the NiD X2Δ ground state by CO-Faraday-L.M.R. spectroscopy and zero field transitions in NiH

    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.

  12. Magnetic ground state and spin fluctuations in MnGe chiral magnet as studied by muon spin rotation

    NASA Astrophysics Data System (ADS)

    Martin, N.; Deutsch, M.; Bert, F.; Andreica, D.; Amato, A.; Bonfà, P.; De Renzi, R.; Rößler, U. K.; Bonville, P.; Fomicheva, L. N.; Tsvyashchenko, A. V.; Mirebeau, I.

    2016-05-01

    We have studied by muon spin resonance (μ SR ) the helical ground state and fluctuating chiral phase recently observed in the MnGe chiral magnet. At low temperature, the muon polarization shows double-period oscillations at short-time scales. Their analysis, akin to that recently developed for MnSi [A. Amato et al., Phys. Rev. B 89, 184425 (2014), 10.1103/PhysRevB.89.184425], provides an estimation of the field distribution induced by the Mn helical order at the muon site. The refined muon position agrees nicely with ab initio calculations. With increasing temperature, an inhomogeneous fluctuating chiral phase sets in, characterized by two well-separated frequency ranges which coexist in the sample. Rapid and slow fluctuations, respectively, associated with short-range and long-range ordered helices, coexist in a large temperature range below TN=170 K. We discuss the results with respect to MnSi, taking the short helical period, metastable quenched state, and peculiar band structure of MnGe into account.

  13. Ground State Spin Logic

    NASA Astrophysics Data System (ADS)

    Whitfield, James; Faccin, Mauro; Biamonte, Jacob

    2013-03-01

    Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground-state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground-state subspace encoding the truth tables of Boolean formulas. The ground-state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground-state embeddings found in both classical optimization as well as adiabatic quantum optimization.

  14. An ab initio calculation of the rotational-vibrational energies in the electronic ground state of NH2

    NASA Astrophysics Data System (ADS)

    Jensen, Per; Buenker, Robert J.; Hirsch, Gerhard; Rai, Sachchida N.

    We have calculated ab initio the three-dimensional potential-energy surface of the NH2 molecule at 145 nuclear geometries spanning energy ranges of about 18 000 cm-1 for the NH stretch and 12 000 cm-1 for the bend. The ab initio configuration-interaction calculations were done using the multireference MRD-CI method. The calculated equilibrium configuration has NH bond length re = 1·0207 Å and bond angle α = 103·1°. The rotational-vibrational energies for 14NH2, 14NHD and 14ND2 were calculated variationally using the Morse-oscillator rigid-bender internal-dynamics Hamiltonian. For 14NH2 we calculate that υ1 = 3267 (3219) cm-1, υ2 = 1462 (1497) cm-1 and υ3 = 3283 (3301) cm-1, where experimental values are given in parentheses.

  15. Note: Improved line strengths of rovibrational and rotational transitions within the X3Σ- ground state of NH

    NASA Astrophysics Data System (ADS)

    Brooke, James S. A.; Bernath, Peter F.; Western, Colin M.

    2015-07-01

    Recently, a line list including positions and transition strengths was published for the NH X3Σ- rovibrational and rotational transitions. The calculation of the transition strengths requires a conversion of transition matrix elements from Hund's case (b) to (a). The method of this conversion has recently been improved during other work on the OH X2Π rovibrational transitions, by removing an approximation that was present previously. The adjusted method has been applied to the NH line list, resulting in more accurate transition strengths. An updated line list is presented that contains all possible transitions with v' and v″ up to 6, and J up to between 25 and 44, depending on the band.

  16. Translational and rotational energy measurements of desorbed water molecules in their vibrational ground state following 157 nm irradiation of amorphous solid water

    NASA Astrophysics Data System (ADS)

    Hama, Tetsuya; Yokoyama, Masaaki; Yabushita, Akihiro; Kawasaki, Masahiro; Watanabe, Naoki

    2011-05-01

    Water ice is the major solid component in a variety of astrophysical environments, e.g., cold and dense molecular clouds. Photodesorption plays a dominant role in consuming ice in such cold regions. In this study, photodesorption of vibrationally ground-state H 2O( v = 0) from amorphous solid water has been investigated at 157 nm. Using a resonance-enhanced multiphoton ionization technique, the translational and rotational energy distributions of photodesorbed H 2O( v = 0) were measured, i.e., Boltzmann distributions at 1800 and 300 K, respectively. These energies are in good accordance with those predicted by classical molecular calculations for water photodesorption due to a kick-out mechanism following absorption of a single photon; hot H atom released by photodissociation of H 2O in ice transfers enough momentum to another H 2O molecule to kick it off the surface. Desorption of D 2O( v = 0) following 193 nm photoirradiation of a D 2O/H 2S mixed ice was investigated to provide further direct evidence for the operation of a kick-out mechanism. The other desorption mechanisms were also discussed in the context of possible photodesorption of vibrationally excited H 2O.

  17. 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.

  18. Rotation spectrum and high resolution infrared spectra of the fundamental bands of 121SbD 3. Determination of the ground state and equilibrium structures. Ab initio calculations of the spectroscopic parameters

    NASA Astrophysics Data System (ADS)

    Canè, E.; Di Lonardo, G.; Fusina, L.; Jerzembeck, W.; Bürger, H.; Breidung, J.; Thiel, W.

    2006-01-01

    The high resolution infrared spectrum of 121SbD 3, recorded between 20 and 350 cm -1 and in the regions of bending and stretching fundamental bands, centred at 600 and 1350 cm -1, has been analysed. Splittings of the K″=3, 6 lines have been observed both in the rotation and ro-vibration spectra. A large number of 'perturbation allowed' transitions with selection rules Δ(k-ℓ)=±3, ±6 and ±9 have been identified in all fundamental bands. Accurate ground state molecular parameters have been determined fitting simultaneously the rotational transitions and about 9000 ground state combination differences obtained from lines assigned in the ro-vibrational spectra. The A and B reductions of the rotational Hamiltonian have been applied in the analysis of the ground state. They provided almost equivalent results. The molecular parameters of the 1 1, 2 1, 3 1 and 4 1 states have been obtained from the simultaneous analysis of the ν1 ( A1)/ ν3 ( E) stretching and of the ν2 ( A1)/ ν4 ( E) bending dyads. In fact, the corresponding excited states are affected by strong perturbations due to Coriolis and k-type rovibrational interactions that have been treated explicitly in the model adopted for the analysis. Improved effective ground state and equilibrium geometries have been determined and compared to those of 121SbH 3 and of 123SbD 3. Ab initio calculations at the coupled cluster CCSD(T) level with an energy-consistent large-core pseudopotential and large basis sets have been carried out to determine the equilibrium structure, the anharmonic force field, and the associated spectroscopic constants of 121-stibine. The theoretical constants and structural parameters are in good agreement with the experimental data.

  19. Internal rotation, spin-orbit coupling, and low-frequency vibrations in the ? ground state of CH3-CC-CH+3 and CD3-CC-CD+3

    NASA Astrophysics Data System (ADS)

    Jacovella, Ugo; Gans, Bérenger; Merkt, Frédéric

    2015-08-01

    Pulsed-field-ionisation zero-kinetic-energy (PFI-ZEKE) photoelectron spectra of 2-butyne (CH3-CC-CH3) and its fully deuterated isotopomer have been recorded in the region of the origin band of the ? ionising transition. The spectral congestion originating from the combined effects of the internal rotation of the methyl groups, the spin-orbit coupling, and the Jahn-Teller effect prevented the full resolution of the rotational structure of the photoelectron spectra. A tentative analysis of the rotational branch structure of the photoelectron spectra using rovibronic photoionisation selection rules derived in the permutation-inversion spin double group G36(M2) suggests a splitting of ∼10.5 cm-1 between the two spin-orbit components E3/2 and E1/2 of the ? 2 E1 ground state and an almost free internal rotation of the methyl groups in the cations. Assignments are proposed for several low-lying vibrational levels of the cations.

  20. Ground-state spin logic

    NASA Astrophysics Data System (ADS)

    Whitfield, J. D.; Faccin, M.; Biamonte, J. D.

    2012-09-01

    Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground-state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground-state subspace encoding the truth tables of Boolean formulas. The ground-state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground-state embeddings found in both classical optimization as well as adiabatic quantum optimization.

  1. Ground states of holographic superconductors

    SciTech Connect

    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.

  2. Software for inference of dynamic ground strains and rotations and their errors from short baseline array observations of ground motions

    USGS Publications Warehouse

    Spudich, Paul; Fletcher, Jon 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.

  3. Molecular heat pump for rotational states

    SciTech Connect

    Lazarou, C.; Keller, M.; Garraway, B. M.

    2010-01-15

    In this work, we investigate the theory for three different unidirectional population-transfer schemes in trapped multilevel systems which can be utilized to cool molecular ions. The approach we use exploits the laser-induced coupling between the internal and motional degrees of freedom so that the internal state of a molecule can be mapped onto the motion of that molecule in an external trapping potential. By sympathetically cooling the translational motion back into its ground state, the mapping process can be employed as part of a cooling scheme for molecular rotational levels. This step is achieved through a common mode involving a laser-cooled atom trapped alongside the molecule. For the coherent mapping, we will focus on adiabatic passage techniques which may be expected to provide robust and efficient population transfers. By applying far-detuned chirped adiabatic rapid passage pulses, we are able to achieve an efficiency of better than 98% for realistic parameters and including spontaneous emission. Even though our main focus is on cooling molecular states, the analysis of the different adiabatic methods has general features which can be applied to atomic systems.

  4. The ground-state average structure of methyl isocyanide

    NASA Astrophysics Data System (ADS)

    Mackenzie, M. W.; Duncan, J. L.

    The use of recently determined highly precise inertial data for various isotopic modifications of methyl isocyanide has enabled the ground-state average, or rz, structure to be determined to within very narrow limits. Harmonic corrections to ground-state rotational constants have been calculated using a high-quality, experimentally determined harmonic force field. The derived zero-point inertial constants are sufficiently accurate to enable changes in the CH bond length and NCH bond angle on deuteration to be determined. The present rz structure determination is believed to be a physically realistic estimate of the ground-state average geometry of methyl isocyanide.

  5. The ground-state average structure of methyl isocyanide

    NASA Astrophysics Data System (ADS)

    Mackenzie, M. W.; Duncan, J. L.

    1982-11-01

    The use of recently determined highly precise inertial data for various isotopic modifications of methyl isocyanide has enabled the ground-state average, or rz, structure to be determined to within very narrow limits. Harmonic corrections to ground-state rotational constants have been calculated using a high-quality, experimentally determined harmonic force field. The derived zero-point inertial constants are sufficiently accurate to enable changes in the CH bond length and NCH bond angle on deuteration to be determined. The present rz structure determination is believed to be a physically realistic estimate of the ground-state average geometry of methyl isocyanide.

  6. Dynamics of molecules in extreme rotational states

    PubMed Central

    Yuan, Liwei; Teitelbaum, Samuel W.; Robinson, Allison; Mullin, Amy S.

    2011-01-01

    We have constructed an optical centrifuge with a pulse energy that is more than 2 orders of magnitude larger than previously reported instruments. This high pulse energy enables us to create large enough number densities of molecules in extreme rotational states to perform high-resolution state-resolved transient IR absorption measurements. Here we report the first studies of energy transfer dynamics involving molecules in extreme rotational states. In these studies, the optical centrifuge drives CO2 molecules into states with J ∼ 220 and we use transient IR probing to monitor the subsequent rotational, translational, and vibrational energy flow dynamics. The results reported here provide the first molecular insights into the relaxation of molecules with rotational energy that is comparable to that of a chemical bond.

  7. Rotational Spectra of Symmetric Top Molecules in Ground and Different Vibrational Excited States, and Phenomenon of Resonance – Applying in CF3CCH

    PubMed Central

    Motamedi, Masoud

    2007-01-01

    This paper deals with review of exploration of resonance in symmetric top molecules in different vibrational excited states, vt = n (n =1, 2, 3, 4). Calculations for CF3CCH shows that resonance take place at k=xℓℓ+(A-B)-2AζAζ-(A-B) and k=xℓℓ+(A-B)-2AζAζ-(A-B) for v10 = 2 and v10 = 3 respectively. In order to account for splitting about 3 MHz for the − 2 series in v10 = 4 is necessary to introduce the element 〈 J,k, ℓ|f24| J,k + 2, ℓ − 4〉 in fitting program.

  8. Millimeter wave and terahertz spectra and global fit of torsion-rotation transitions in the ground, first and second excited torsional states of 13CH3OH methanol

    NASA Astrophysics Data System (ADS)

    Xu, Li-Hong; Lees, R. M.; Hao, Yun; Müller, H. S. P.; Endres, C. P.; Lewen, F.; Schlemmer, S.; Menten, K. M.

    2014-09-01

    Methanol is observed in a wide range of astrophysical sources throughout the universe, and comprehensive databases of the millimeter and THz spectra of CH3OH and its principal isotopologues represent important tools for the astronomical community. A previous combined analysis of microwave and millimeter wave spectra of 13CH3OH together with Fourier transform far-infrared spectra was limited to the first two torsional states, νt = 0 and 1, for J values up to 20. The limits on frequency and quantum number coverage have recently been extended by new millimeter and THz measurements on several different spectrometers in the Cologne laboratory in the frequency windows 34-70 GHz, 75-120 GHz, 240-340 GHz, 360-450 GHz and 1.12-1.50 THz. With the new data, the global treatment has now been expanded to include the first three torsional states for J values up to 30. The current 13CH3OH data set contains about 2300 microwave, millimeter-wave, sub-millimeter and THz lines and about 17,100 Fourier-transform far-infrared lines, representing the most recent available information in the quantum number ranges J ⩽ 30, K ⩽ 13 and νt ⩽ 2. The transitions have been successfully fitted to within the assigned measurement uncertainties of ±50 kHz for most of the frequency-measured (i.e. MW, MMW, Sub-MMW, THz) lines and ±6 MHz for the FIR lines. A convergent global fit was achieved using 103 adjustable parameters to reach an overall weighted standard deviation of 1.37. Our new C-13 methanol database is improved substantially compared to the existing one (Li-Hong et al., 1997), and will be available in the Cologne Database for Molecular Spectroscopy, CDMS (http://www.astro.uni-koeln.de/cdms/), in support of astronomical studies associated with results from HIFI (Heterodyne Instrument for the Far-Infrared) on the Herschel Space Observatory and new observations from SOFIA (Stratospheric Observatory For Infrared Astronomy) and ALMA (Atacama Large Millimeter/Submillimeter Array).

  9. 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.

  10. Toward Triplet Ground State LiNa Molecules

    NASA Astrophysics Data System (ADS)

    Jamison, Alan; Rvachov, Timur; Jing, Li; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang

    2015-05-01

    We present progress toward creation of ultracold ground-state triplet LiNa molecules. This 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. Our progress includes the first observation of triplet excited states in this molecule, achieved through photoassociation of ultracold mixtures of 6-Li and Na. We compare experimental results to a variety of near-dissociation expansions as well as ab initio potentials.

  11. Synchronous states of slowly rotating pendula

    NASA Astrophysics Data System (ADS)

    Kapitaniak, Marcin; Czolczynski, Krzysztof; Perlikowski, Przemysław; Stefanski, Andrzej; Kapitaniak, Tomasz

    2014-08-01

    Coupled systems that contain rotating elements are typical in physical, biological and engineering applications and for years have been the subject of intensive studies. One problem of scientific interest, which among others occurs in such systems is the phenomenon of synchronization of different rotating parts. Despite different initial conditions, after a sufficiently long transient, the rotating parts move in the same way - complete synchronization, or a permanent constant shift is established between their displacements, i.e., the angles of rotation - phase synchronization. Synchronization occurs due to dependence of the periods of rotating elements motion and the displacement of the base on which these elements are mounted. We review the studies on the synchronization of rotating pendula and compare them with the results obtained for oscillating pendula. As an example we consider the dynamics of the system consisting of n pendula mounted on the movable beam. The pendula are excited by the external torques which are inversely proportional to the angular velocities of the pendula. As the result of such excitation each pendulum rotates around its axis of rotation. It has been assumed that all pendula rotate in the same direction or in the opposite directions. We consider the case of slowly rotating pendula and estimate the influence of the gravity on their motion. We classify the synchronous states of the identical pendula and observe how the parameters mismatch can influence them. We give evidence that synchronous states are robust as they exist in the wide range of system parameters and can be observed in a simple experiment.

  12. 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.

  13. Optical Characterization of Deep-Space Object Rotation States

    NASA Astrophysics Data System (ADS)

    Hall, D.; Kervin, P.

    2014-09-01

    Analysis of time-series data can yield remarkably accurate estimates of the frequency of a satellites brightness modulations. These apparent or synodic frequencies can vary in time, differing from the actual rotation rate of the object by an amount that depends on the relative angular motion between the satellite, illuminator, and observer for reflected light measurements (or between the satellite and observer for thermal emission measurements). When detected with sufficient accuracy, such synodic frequency variations can be exploited to characterize an objects rotation state, using an analysis that does not require any a priori knowledge of the objects shape. For instance, this shape-independent analysis method can be used to derive spin-axis orientations and sidereal rotation rates for spinning objects. Remotely determining such rotation parameters can be useful in many circumstances, such as when performing anomaly resolution of satellites that have lost stabilization. Unfortunately, synodic variations cannot be detected by ground-based observers for many deep-space objects due to low rates of relative angular motion. This is especially true for objects in geosynchronous orbit. In these cases, deriving spin-axis orientations can be accomplished using a shape-dependent method that employs a model of the shape and reflectance characteristics of the object. Our analysis indicates that a simple cylinder model can often suffice to characterize rotation states for upper-stage rocket bodies.

  14. Rotational spectra of the X 2Sigma(+) states of CaH and CaD

    NASA Technical Reports Server (NTRS)

    Frum, C. I.; Oh, J. J.; Cohen, E. A.; Pickett, H. M.

    1993-01-01

    The rotational spectra of the 2Sigma(2+) ground states of calcium monohydride and monodeuteride have been recorded in absorption between 250 and 700 GHz. The gas phase free radicals have been produced in a ceramic furnace by the reaction of elemental calcium with molecular hydrogen or deuterium in the presence of an electrical discharge. The molecular constants including the rotational constant, centrifugal distortion constants, spin-rotation constants, and magnetic hyperfine interaction constants have been extracted from the spectra.

  15. 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

  16. 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.

  17. Triplet (S = 1) Ground State Aminyl Diradical

    SciTech Connect

    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.

  18. On the ground state of metallic hydrogen

    NASA Technical Reports Server (NTRS)

    Chakravarty, S.; Ashcroft, N. W.

    1978-01-01

    A proposed liquid ground state of metallic hydrogen at zero temperature is explored and a variational upper bound to the ground state energy is calculated. The possibility that the metallic hydrogen is a liquid around the metastable point (rs = 1.64) cannot be ruled out. This conclusion crucially hinges on the contribution to the energy arising from the third order in the electron-proton interaction which is shown here to be more significant in the liquid phase than in crystals.

  19. Lattice QCD Beyond Ground States

    SciTech Connect

    Huey-Wen Lin; Saul D. Cohen

    2007-09-11

    In this work, we apply black box methods (methods not requiring input) to find excited-state energies. A variety of such methods for lattice QCD were introduced at the 3rd iteration of the numerical workshop series. We first review a selection of approaches that have been used in lattice calculations to determine multiple energy states: multiple correlator fits, the variational method and Bayesian fitting. In the second half, we will focus on a black box method, the multi-effective mass. We demonstrate the approach on a toy model, as well as on real lattice data, extracting multiple states from single correlators. Without complicated operator construction or specialized fitting programs, the black box method shows good consistency with the traditional approaches.

  20. Mimicking time evolution within a quantum ground state: Ground-state quantum computation, cloning, and teleportation

    SciTech Connect

    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.

  1. 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.

  2. Continuous Optical Production of Ultracold Vibronic Ground State Polar Molecules

    NASA Astrophysics Data System (ADS)

    Bruzewicz, Colin David

    We present recent results on the formation of ultracold polar molecules via photoassociation. Beginning with pre-cooled samples of Rb and Cs atoms, we produce electronically-excited molecules that inherit the ultracold temperature of their atomic precursors. In order to create large samples of ultracold molecules in their vibrational and rotational X 1Sigma+(upsilon=J=0) ground state, we study two different photoassociative regimes. In the first, molecules are created in a particular highly vibrationally-excited molecular state and decay strongly to a weakly-bound vibrational level in the ground a3Sigma + state. To study a possible population transfer scheme from this state to the X1Sigma+(upsilon=J=0) ground state, we present high-resolution depletion spectroscopy of the a 3Sigma+ c3Sigma+ transition for use in the first stage of a proposed Stimulated Raman Adiabatic Passage (STIRAP) transfer. In the second photoassociative regime, molecules are created in deeply-bound, electronically-excited vibrational levels that decay directly to the X1Sigma+(upsilon=0) state, obviating the need for population transfer. Through theoretical analysis and subsequent experimental verification, we demonstrate continuous formation of X 1Sigma+(upsilon=0) RbCs molecules at rates in excess of 103/s. We then conclude with detailed calculations of a method to purify the molecular sample of unwanted excited molecular states, based on inelastic scattering with ultracold Cs atoms.

  3. Numerical Evaluation of 2D Ground States

    NASA Astrophysics Data System (ADS)

    Kolkovska, Natalia

    2016-02-01

    A ground state is defined as the positive radial solution of the multidimensional nonlinear problem \\varepsilon propto k_ bot 1 - ξ with the function f being either f(u) =a|u|p-1u or f(u) =a|u|pu+b|u|2pu. The numerical evaluation of ground states is based on the shooting method applied to an equivalent dynamical system. A combination of fourth order Runge-Kutta method and Hermite extrapolation formula is applied to solving the resulting initial value problem. The efficiency of this procedure is demonstrated in the 1D case, where the maximal difference between the exact and numerical solution is ≈ 10-11 for a discretization step 0:00025. As a major application, we evaluate numerically the critical energy constant. This constant is defined as a functional of the ground state and is used in the study of the 2D Boussinesq equations.

  4. Cavity optomechanics -- beyond the ground state

    NASA Astrophysics Data System (ADS)

    Meystre, Pierre

    2011-05-01

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

  5. Ground state number fluctuations of trapped particles

    NASA Astrophysics Data System (ADS)

    Tran, Muoi N.

    This thesis encompasses a number of problems related to the number fluctuations from the ground state of ideal particles in different statistical ensembles. In the microcanonical ensemble most of these problems may be solved using number theory. Given an energy E, the well-known problem of finding the number of ways of distributing N bosons over the excited levels of a one-dimensional harmonic spectrum, for instance, is equivalent to the number of restricted partitions of E. As a result, the number fluctuation from the ground state in the microcanonical ensemble for this system may be found analytically. When the particles are fermions instead of bosons, however, it is difficult to calculate the exact ground state number fluctuation because the fermionic ground state consists of many levels. By breaking up the energy spectrum into particle and hole sectors, and mapping the problem onto the classic number partitioning theory, we formulate a method of calculating the particle number fluctuation from the ground state in the microcanonical ensemble for fermions. The same quantity is calculated for particles interacting via an inverse-square pairwise interaction in one dimension. In the canonical ensemble, an analytical formula for the ground state number fluctuation is obtained by using the mapping of this system onto a system of noninteracting particles obeying the Haldane-Wu exclusion statistics. In the microcanonical ensemble, however, the result can be obtained only for a limited set of values of the interacting strength parameter. Usually, for a discrete set of a mean-field single-particle quantum spectrum and in the microcanonical ensemble, there are many combinations of exciting particles from the ground state. The spectrum given by the logarithms of the prime number sequence, however, is a counterexample to this rule. Here, as a consequence of the fundamental theorem of arithmetic, there is a one-to-one correspondence between the microstate and the macrostate

  6. Trapped antihydrogen in its ground state.

    PubMed

    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. PMID:22540471

  7. NEW GROUND-STATE MEASUREMENTS OF ETHYL CYANIDE

    SciTech Connect

    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.

  8. Measuring both Rotational and Translational Ground-Motions from Explosions and Local Earthquakes in Taiwan

    NASA Astrophysics Data System (ADS)

    Huang, B.; Lee, W.; Lin, C.; Liu, C.; Shin, T.; Teng, T.; Wu, C.

    2008-12-01

    Since rotational motions can "contaminate" translational ground-motion measurements due to the induced perturbation of the Earth's gravitational field, we started a program to measure rotational ground motions near Hualien (Taiwan) in December, 2000. However, no useful data were obtained after 3 years, until a rotational sensor of much higher sensitivity was deployed at the HGSD station in eastern Taiwan in December, 2004. Rotational and translational seismograms were obtained from several hundred local earthquakes. As noted by several authors before, we found a linear relationship between peak rotational rate (PRR in mrad/s) and peak ground acceleration (PGA in m/s2) from local earthquakes in Taiwan: PRR = 0.002 + 1.301 PGA, with a correlation coefficient of 0.988. Taking advantage of two large explosions of the TAIGER Active Seismic Experiment, we deployed 13 accelerometers and 8 rotational sensors within 600 m from the N3 shot points and obtained some interesting results, which will be presented by Langston et al. in this Session. In December, 2007, we began an instrument array deployment along the Meishan fault in southwestern Taiwan, where a major earthquake occurred in 1906 with surface rupture of more than 12 km long. The deployed instruments are: (1) a 32-element seismic array in free-field, (2) a 32-element accelerometer array in a building, (3) a six-channel unit with a low-gain broadband seismometer and an accelerometer, and (4) two six-channel units with an accelerometer and an external rotational senor. We have 8 rotational sensors now deployed in Taiwan and seven new rotational sensors are scheduled for deployment soon in a program to assess the effect of ground rotation on traditional measurements of translational strong ground motions.

  9. Microwave Spectra of Furazan. IV. Rotation Spectra of Vibrationally Excited States of Perdeuterated Furazan

    NASA Astrophysics Data System (ADS)

    Stiefvater, Otto L.

    1990-10-01

    The pure rotation spectra of molecules in 25 vibrationally excited states of perdeuterated furazan, C2D2N2O, have been studied by double resonance modulation (DRM) microwave spectroscopy. Twelve of these spectra have been correlated, -on the basis of relative intensity measurements under DRM -, with fundamental vibrations as previously established by IR spectroscopy. Rotational parameters for these 12 fundamental levels are reported, and the contributions to the effective rotational constants and to the inertia defect of the ground state of d2 -furazan have been determined for 10 modes of vibration.

  10. Individual Atoms in their Quantum Ground State

    NASA Astrophysics Data System (ADS)

    Schwartz, Eyal; Sompet, Pimonpan; Fung, Yin Hsien; Andersen, Mikkel F.

    2016-05-01

    An ultimate control of pure quantum states is an excellent platform for various quantum science and engineering. In this work, we perform quantum manipulation of individual Rubidium atoms in a tightly focus optical tweezer in order to cool them into their vibrational ground state via Raman sideband cooling. Our experimental scheme involves a combination of Raman sideband transitions and optical pumping of the atoms that couples two magnetic field sublevels indifferent to magnetic noise thus providing a much longer atomic coherence time compared to previous cooling schemes. By installing most of the atoms in their ground state, we managed to achieve two-dimensional cooling on the way to create a full nil entropy quantum state of single atoms and single molecules. We acknowledge the Marsden Fund, CORE and DWC for their support.

  11. Mass coefficient and Grodzins relation for the ground-state band and {gamma} band

    SciTech Connect

    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.

  12. 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…

  13. Recovery of Near-Fault Ground Motion by Introducing Rotational Motions

    NASA Astrophysics Data System (ADS)

    Chiu, H. C.

    2014-12-01

    Near-fault ground motion is the key data to seismologists for revealing the seismic faulting and earthquake physics and strong-motion data is the only near-fault seismogram that can keep on-scale recording in a major earthquake. Unfortunately, this type of data might be contaminated by the rotation induced effects such as the centrifugal acceleration and the gravity effects. We analyze these effects based on a set of collocated rotation-translation data of small to moderate earthquakes. Results show these rotation effects could be negligible in small ground motion, but they might have a radical growing in the near-fault/extremely large ground motions. In order to extract more information from near-fault seismogram for improving our understating of seismic faulting and earthquake physics, it requires six-component collocated rotation-translation records to reduce or remove these effects.

  14. A high precision, compact electromechanical ground rotation sensor

    SciTech Connect

    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.

  15. A high precision, compact electromechanical ground rotation sensor.

    PubMed

    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

  16. Solid State Replacement of Rotating Mirror Cameras

    SciTech Connect

    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.

  17. Solid state replacement of rotating mirror cameras

    NASA Astrophysics Data System (ADS)

    Frank, Alan M.; Bartolick, Joseph M.

    2007-01-01

    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.

  18. Short Rotation Crops in the United States

    SciTech Connect

    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.

  19. 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.

  20. On the ground state of quantum gravity

    NASA Astrophysics Data System (ADS)

    Cacciatori, S.; Preparata, G.; Rovelli, S.; Spagnolatti, I.; Xue, S.-S.

    1998-05-01

    In order to gain insight into the possible ground state of quantized Einstein's gravity, we have devised a variational calculation of the energy of the quantum gravitational field in an open space, as measured by an asymptotic observer living in an asymptotically flat space-time. We find that for quantum gravity (QG) it is energetically favourable to perform its quantum fluctuations not upon flat space-time but around a ``gas'' of wormholes, whose size is the Planck length ap (ap~=10-33 cm). As a result, assuming such configuration to be a good approximation to the true ground state of quantum gravity, space-time, the arena of physical reality, turns out to be well described by Wheeler's Quantum Foam and adequately modeled by a space-time lattice with lattice constant ap, the Planck lattice. All rights reserved

  1. Ground state of the hydrogen negative ion

    NASA Astrophysics Data System (ADS)

    Obreshkov, Boyan

    2009-03-01

    Based on recently developed variational many-body Schr"odinger equation for electrons with Coulomb interactions [1], we provide first numerical results for the ground state electron structure of the hydrogen negative ion. It is shown that Fermi-Teller promotion effect together with non-adiabatic screening effects due to the Pauli's exclusion principle are responsible for the weak binding of the anion. The calculated ionization potential J=-1/2 - 2 λ+ <1/r12> of the hydrogen negative ion is compared with the experiment, where λ is the mean binding energy per one electron in the ground state.[0pt] [1] B. D. Obreshkov , Phys. Rev. A 78, 032503 (2008).

  2. Ground-state energy of nuclear matter

    NASA Astrophysics Data System (ADS)

    Baker, George A., Jr.; Benofy, L. P.; Fortes, Mauricio

    1988-07-01

    The low-density expansion of the ground-state energy for spin-dependent forces is given, through order k6F for the ladder approximation and through order k6FlnkF for the complete energy, in terms of derivatives with respect to the strength of the attractive part of the interaction defined by the Baker-Hind-Kahane potential. The ladder approximation is also computed by the numerical solution of the K-matrix equation. The resulting series gives a satisfactory representation of the energy at interesting densities. Using Padé extrapolation techniques, both in the density and in the attractive part of the interaction, we obtain the ground-state energy of nuclear matter.

  3. Ground state degeneracy of interacting spinless fermions

    NASA Astrophysics Data System (ADS)

    Wei, Zhong-Chao; Han, Xing-Jie; Xie, Zhi-Yuan; Xiang, Tao

    2015-10-01

    We propose an eigenoperator scheme to study the lattice model of interacting spinless fermions at half filling and show that this model possesses a hidden form of reflection positivity in its Majorana fermion representation. Based on this observation, we prove rigourously that the ground state of this model is either unique or doubly degenerate if the lattice size N is even, and is always doubly degenerate if N is odd. This proof holds in all dimensions with arbitrary lattice structures.

  4. Ground state energy of large polaron systems

    SciTech Connect

    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}.

  5. Ground state searches in fcc intermetallics

    SciTech Connect

    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.

  6. Seafloor ground rotation observations: potential for improving signal-to-noise ratio on horizontal OBS components

    NASA Astrophysics Data System (ADS)

    Lindner, Fabian; Wassermann, Joachim; Schmidt-Aursch, Mechita; Schreiber, Ulrich; Igel, Heiner

    2015-04-01

    It is well known that the horizontal components of ocean bottom seismometer (OBS) records have a very poor signal-to-noise (S/N) ratio compared to the vertical components, the difference substantially exceeding that of terrestrial records. This is unfortunate as 1) OBS experiments are expensive and the main possibility to gather data in offshore areas, and 2) today we are more and more interested in modelling complete waveforms including all three components aiming at optimally constraining geophysical parameters for inverse problems for Earth's structure and seismic sources. Despite the fact that it is expected that tilting is the major cause of this high S/N - to our knowledge - this effect has never been directly observed. The reason is that (standard) instruments for the measurement of uncontaminated rotational ground motions with the required sensitivity still do not exist. Here, we report observations from an experiment we carried out in the North Sea, close to the island of Helgoland in the summer of 2014. A commercial fibre-optic gyro (usually used for navigation purposes) recording ground rotation rate with a sensitivity of approx. 10-7 rad/s was mounted on an OBS system together with a broadband seismometer. The system was lowered to the seafloor for about a week. To investigate a potential connection between rotational ground motions around the two horizontal axes (i.e., tilting) we calculate the coherence between the corresponding motion components (e.g., rotations around x-axis and translational motions along y-axis, and vice versa). We find very high correlations, on average exceeding 0.73 in the period interval 7-13 seconds. Correlations seem to increase with noise amplitude. Rotation rate amplitudes are in the range of 10-6 -10-5 rad/s. This clearly indicates that the horizontal translational components are severely contaminated by rotations around the horizontal axes. The ground rotation observations allow correcting for this effect thereby

  7. Proteome Analysis of Ground State Pluripotency

    PubMed Central

    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

  8. Ground state fidelity from tensor network representations.

    PubMed

    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

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

    NASA Technical Reports Server (NTRS)

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

    1986-01-01

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

  10. Rotationally resolved state-to-state photoelectron study of niobium carbide radical

    SciTech Connect

    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.

  11. Reducing collective quantum state rotation errors with reversible dephasing

    SciTech Connect

    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.

  12. Ground-state structures of Hafnium clusters

    SciTech Connect

    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.

  13. 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.

  14. Inhibited rotational quenching in oriented ultra-high rotational states of CO2

    NASA Astrophysics Data System (ADS)

    Toro, Carlos; Liu, Qingnan; Echebiri, Geraldine O.; Mullin, Amy S.

    2013-07-01

    We demonstrate long-lived rotational orientation of CO2 molecules originally prepared in an optical centrifuge. The optical centrifuge traps molecules in a strong optical field and spins them to high rotational states by angular acceleration of the optical field. In the case of CO2, the optical centrifuge creates ultra-high rotational states with J ≥ 220. Polarisation-dependent, high-resolution transient infrared (IR) absorption was used to measure the spatial orientation of CO2 molecules in the (0000, J = 76) state following the optical centrifuge pulse and subsequent collisional energy transfer. Transient Doppler-broadened line profiles show that CO2 molecules in J = 76 probed with an IR transition dipole parallel to the initial plane of rotation are more plentiful and have higher translational temperatures than molecules with an IR transition dipole perpendicular to this plane. Time-dependent data show that the initial angular momentum orientation persists even after thousands of collisions, indicating that molecules in an optical centrifuge behave as quantum gyroscopes. These observations demonstrate that the optical centrifuge prepares an anisotropic rotational distribution and that molecules in oriented, ultra-high angular momentum states require many more collisions to randomise their orientation than do those in low rotational states.

  15. Rigid rotators. [deriving the time-independent energy states associated with rotational motions of the molecule

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The two-particle, steady-state Schroedinger equation is transformed to center of mass and internuclear distance vector coordinates, leading to the free particle wave equation for the kinetic energy motion of the molecule and a decoupled wave equation for a single particle of reduced mass moving in a spherical potential field. The latter describes the vibrational and rotational energy modes of the diatomic molecule. For fixed internuclear distance, this becomes the equation of rigid rotator motion. The classical partition function for the rotator is derived and compared with the quantum expression. Molecular symmetry effects are developed from the generalized Pauli principle that the steady-state wave function of any system of fundamental particles must be antisymmetric. Nuclear spin and spin quantum functions are introduced and ortho- and para-states of rotators, along with their degeneracies, are defined. Effects of nuclear spin on entropy are deduced. Next, rigid polyatomic rotators are considered and the partition function for this case is derived. The patterns of rotational energy levels for nonlinear molecules are discussed for the spherical symmetric top, for the prolate symmetric top, for the oblate symmetric top, and for the asymmetric top. Finally, the equilibrium energy and specific heat of rigid rotators are derived.

  16. 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

  17. Thermodynamic ground states of platinum metal nitrides

    SciTech Connect

    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.

  18. Probing the ground state in gauge theories

    SciTech Connect

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

    2008-03-01

    We consider two very different models of the flux tube linking two heavy quarks: a string linking the matter fields and a Coulombic description of two separately gauge invariant charges. We compare how close they are to the unknown true ground state in compact U(1) and the SU(2) Higgs model. Simulations in compact U(1) show that the string description is better in the confined phase but the Coulombic description is best in the deconfined phase; the last result is shown to agree with analytical calculations. Surprisingly in the nonabelian theory the Coulombic description is better in both the Higgs and confined phases. This indicates a significant difference in the width of the flux tubes in the two theories.

  19. 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.

  20. Ground states of finite spherical Yukawa crystals

    NASA Astrophysics Data System (ADS)

    Baumgartner, H.; Asmus, D.; Golubnychiy, V.; Ludwig, P.; Kählert, H.; Bonitz, M.

    2008-09-01

    Small three-dimensional strongly coupled clusters of charged particles in a spherical confinement potential arrange themselves in nested concentric shells. If the particles are immersed into a background plasma the interaction is screened. The cluster shell configuration is known to be sensitive to the screening strength. With increased screening, an increased population of the inner shell(s) is observed. Here, we present a detailed analysis of the ground state shell configurations and configuration changes in a wide range of screening parameters for clusters with particle numbers N in the range of 11 to 60. We report three types of anomalous behaviors which are observed upon increase of screening, at fixed N or for an increase of N at fixed screening. The results are obtained by means of extensive first principle molecular dynamics simulations.

  1. Rotationally Inelastic Scattering of Quantum-State-Selected ND3 with Ar.

    PubMed

    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. PMID:25532415

  2. Engineering the Ground State of Complex Oxides

    NASA Astrophysics Data System (ADS)

    Meyers, Derek Joseph

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

  3. 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.

  4. Ground state energy of N Frenkel excitons

    NASA Astrophysics Data System (ADS)

    Pogosov, W.; Combescot, M.

    2009-03-01

    By using the composite many-body theory for Frenkel excitons we have recently developed, we here derive the ground state energy of N Frenkel excitons in the Born approximation through the Hamiltonian mean value in a state made of N identical Q = 0 excitons. While this quantity reads as a density expansion in the case of Wannier excitons, due to many-body effects induced by fermion exchanges between N composite particles, we show that the Hamiltonian mean value for N Frenkel excitons only contains a first order term in density, just as for elementary bosons. Such a simple result comes from a subtle balance, difficult to guess a priori, between fermion exchanges for two or more Frenkel excitons appearing in Coulomb term and the ones appearing in the N exciton normalization factor - the cancellation being exact within terms in 1/Ns where Ns is the number of atomic sites in the sample. This result could make us naively believe that, due to the tight binding approximation on which Frenkel excitons are based, these excitons are just bare elementary bosons while their composite nature definitely appears at various stages in the precise calculation of the Hamiltonian mean value.

  5. Ground-state phase diagram of the quantum Rabi model

    NASA Astrophysics Data System (ADS)

    Ying, Zu-Jian; Liu, Maoxin; Luo, Hong-Gang; Lin, Hai-Qing; You, J. Q.

    2015-11-01

    The Rabi model plays a fundamental role in understanding light-matter interaction. It reduces to the Jaynes-Cummings model via the rotating-wave approximation, which is applicable only to the cases of near resonance and weak coupling. However, recent experimental breakthroughs in upgrading light-matter coupling order require understanding the physics of the full quantum Rabi model (QRM). Despite the fact that its integrability and energy spectra have been exactly obtained, the challenge to formulate an exact wave function in a general case still hinders physical exploration of the QRM. Here we unveil a ground-state phase diagram of the QRM, consisting of a quadpolaron and a bipolaron as well as their changeover in the weak-, strong-, and intermediate-coupling regimes, respectively. An unexpected overweighted antipolaron is revealed in the quadpolaron state, and a hidden scaling behavior relevant to symmetry breaking is found in the bipolaron state. An experimentally accessible parameter is proposed to test these states, which might provide novel insights into the nature of the light-matter interaction for all regimes of the coupling strengths.

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

    SciTech Connect

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

    2008-08-01

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

  7. Magnetic ground state of FeSe

    PubMed Central

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

    2016-01-01

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

  8. Magnetic ground state of FeSe.

    PubMed

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

    2016-01-01

    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

  9. Magnetic ground state of FeSe

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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.

  10. Neutrino ground state in a dense star

    NASA Astrophysics Data System (ADS)

    Kiers, Ken; Tytgat, Michel H. G.

    1998-05-01

    It has recently been argued that long range forces due to the exchange of massless neutrinos give rise to a very large self-energy in a dense, finite-ranged, weakly charged medium. Such an effect, if real, would destabilize a neutron star. To address this issue we have studied the related problem of a massless neutrino field in the presence of an external, static electroweak potential of finite range. To be precise, we have computed to one loop the exact vacuum energy for the case of a spherical square well potential of depth α and radius R. For small wells, the vacuum energy is reliably determined by a perturbative expansion in the external potential. For large wells, however, the perturbative expansion breaks down. A manifestation of this breakdown is that the vacuum carries a non-zero neutrino charge. The energy and neutrino charge of the ground state are, to a good approximation for large wells, those of a neutrino condensate with chemical potential μ=α. Our results demonstrate explicitly that long-range forces due to the exchange of massless neutrinos do not threaten the stability of neutron stars.

  11. Observation and Calculation of the Quasibound Rovibrational Levels of the Electronic Ground State of H2+

    NASA Astrophysics Data System (ADS)

    Beyer, Maximilian; Merkt, Frédéric

    2016-03-01

    Although the existence of quasibound rotational levels of the X+ 2Σg+ ground state of H2+ was predicted a long time ago, these states have never been observed. Calculated positions and widths of quasibound rotational levels located close to the top of the centrifugal barriers have not been reported either. Given the role that such states play in the recombination of H (1 s ) and H+ to form H2+, this lack of data may be regarded as one of the largest unknown aspects of this otherwise accurately known fundamental molecular cation. We present measurements of the positions and widths of the lowest-lying quasibound rotational levels of H2+ and compare the experimental results with the positions and widths we calculate using a potential model for the X+ state of H2+ which includes adiabatic, nonadiabatic, relativistic, and radiative corrections to the Born-Oppenheimer approximation.

  12. Thermal ground-state ordering and elementary excitations in artificial magnetic square ice

    NASA Astrophysics Data System (ADS)

    Morgan, Jason P.; Stein, Aaron; Langridge, Sean; Marrows, Christopher H.

    2011-01-01

    Recent advances in nanotechnology allow model systems to be constructed, in which frustrated interactions can be tuned at will, such as artificial spin ice. The symmetry of the square ice lattice leads to the emergence of a long-range-ordered ground state from the manifold of frustrated states. However, it is experimentally very difficult to access using the effective thermodynamics of rotating-field demagnetization protocols, because the energy barriers to thermal equilibrium are extremely large. Here we study an as-fabricated sample that approaches the ground state very closely. We identify the small localized departures from the ground state as elementary excitations of the system, at frequencies that follow a Boltzmann law. We therefore identify the state we observe as the frozen-in residue of true thermodynamics that occurred during the fabrication of the sample. The relative proportions of different excitations are suggestive of monopole interactions during thermalization.

  13. 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.

  14. 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

  15. 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.

  16. Ground based studies of the vibrational and rotational dynamics of acoustically levitated drops and shells

    NASA Astrophysics Data System (ADS)

    Trinh, E. H.; Leung, E.

    1990-01-01

    A substantial amount of experimental data can be gathered on the dynamics of acoustically positioned liquids in a ground-based laboratory and during short duration low-gravity parabolic flights of the KC-135. The preliminary results of a set of measurements of the static shape, of the vibrational spectrum, and the rotation equilibrium shapes of simple drops and liquid shells carried out using ultrasonic levitators working between 19 and 40 kHz is presented. The droplet diameter ranges between 1 and 5 mm, the surface tension of the liquid used varies between 25 and 70 dynes/cm, and the viscosity is changed between 1 to 1,000 cP. Of particular interest is the variation of the frequency of the fundamental mode of shape oscillation with various factors, and the effects of static drop shape deformation on the limit of stability of the axisymmetric shape of a drop in solid-body rotation.

  17. Ground Demonstration of Synchronized Formation Rotations for Precision, Multi-Spacecraft Interferometers

    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.

  18. Pseudosteady-state mixed convection inside rotating spherical containers

    SciTech Connect

    Khodadadi, J.M.; Li, W.; Shi, X.

    1999-07-01

    A computational study of the pseudosteady-state two-dimensional mixed convection within rotating spherical containers is presented. The computations are based on an iterative, finite-volume numerical procedure using primitive dependent variables, whereby the time-dependent continuity, momentum and energy equations in the spherical coordinate system are solved. Natural convection effect is modeled via the Boussinesq approximation. For a fixed Prandtl number of 4.62, parametric studies were performed by varying the Rayleigh number in order to cover the laminar regime adequately. For a given Rayleigh number, the ratio of Gr/Re{sup 2} was varied between 0.1 and 10. Given a Rayleigh number, the streamline patterns maintain their general shape with a dominant rotating vortex. As the forced convection effect becomes less marked, the streamlines exhibit less pronounced gradients near the surface of the sphere. As the rotational effect become more marked, the extent of the deviation from the limiting case of non-rotating spheres becomes more noticed. However, the bottom of the sphere still remains to be the region with enhanced heat transfer. Given a rotational Reynolds number, the streamline patterns are not affected greatly as the natural convection is promoted, however the temperature gradients near the surface are markedly enhanced. It is noticed that as natural convection effects are promoted, the greater portion of the sphere's surface experiences enhanced heat transfer rates. Given a Rayleigh number, the contours of the azimuthal velocity exhibit a nearly vertical equally-spaced pattern suggesting that solid-body rotation for high rotational Reynolds numbers. However, as the natural convection effects are enhanced, the contours become more slanted. The variation of the mean Nusselt number with the Reynolds and Rayleigh numbers is also quantified.

  19. Probabilistic rotational state preparation of a single molecular ion though consecutive partial projection measurements

    NASA Astrophysics Data System (ADS)

    Drewsen, Michael

    2016-05-01

    Fully quantum state prepared molecular ions are of interest for a wide range of research fields, including ultra-cold chemistry, ultra-high resolution spectroscopy for test of fundamental physics, and quantum information science. Cooling of the translational degrees of freedom of trapped molecular ions into the millikelvin range has become routine through Coulomb interactions with simultaneously trapped and Doppler laser-cooled atomic ions, and recently it has even become possible to prepare a single molecular ion in its absolute ground state with respect to its quantized motion in the external trapping potential. With respect to the internal rovibrational degrees of freedom, significant progress towards single quantum state preparation has as well recently been realized by a series of complementary methods. In the talk, a novel method for probabilistic rotational state preparation of polar molecular ions based on consecutive partial projection measurements will be discussed. Results of state preparation of vibrational cold single MgH+ ions in the rotational ground or first excited state with maximum likelihood estimated populations of 0.98 and 0.95, respectively, will be presented.

  20. 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

  1. Rotating mirror plasmas in the quest of magnetofluid states

    NASA Astrophysics Data System (ADS)

    Quevedo, Hernan Javier

    The goal of this dissertation is to describe and discuss the first steps taken by the Magneto Bernoulli eXperiment (MBX) to create magnetofluid states in the laboratory using a rotating plasma in an external mirror magnetic field. The terminology magnetofluid has been introduced to characterize a plasma model, based on 2-fluid theory, that treats the flow and the magnetic field in a symmetrical way. Many interesting astrophysical and laboratory problems involve large flows and fall in this category. Based on the set of parameters where MBX should run, we set up the experiment, and added different probes to diagnose the rotating plasma. We have also installed a data acquisition system, and set up an archive system (to store the data) that can be accessed worldwide. Experimental results demonstrate that supersonic flows can be generated with biasing electrodes at the throat of the mirror magnetic field. Alfvenic flows needed for a transition to magnetofluid states could not be reached because the initial plasma density was too low. At low bias (slow rotational speed) the plasma has E x B/B 2 drift rotation and the magnetic fields lines are equipotentials. With a higher bias, we observed large potential drops along the field lines. We also observed an asymmetry in the polarity of the bias which leads to constraints in the control of the sheared plasma flow. We present a model that captures many of these features. In conjunction with experimental efforts we develop a theory for a rotating plasma embedded in an external mirror magnetic field. An analytic solution that involves rigid rotation of the plasma shows important differences between a 2-fluid system and ideal MHD. We find high non equipotential magnetic lines and asymmetry to compare with the experimental results.

  2. From rotating atomic rings to quantum Hall states

    PubMed Central

    Roncaglia, M.; Rizzi, M.; Dalibard, J.

    2011-01-01

    Considerable efforts are currently devoted to the preparation of ultracold neutral atoms in the strongly correlated quantum Hall regime. However, the necessary angular momentum is very large and in experiments with rotating traps this means spinning frequencies extremely near to the deconfinement limit; consequently, the required control on parameters turns out to be too stringent. Here we propose instead to follow a dynamic path starting from the gas initially confined in a rotating ring. The large moment of inertia of the ring-shaped fluid facilitates the access to large angular momenta, corresponding to giant vortex states. The trapping potential is then adiabatically transformed into a harmonic confinement, which brings the interacting atomic gas in the desired quantum-Hall regime. We provide numerical evidence that for a broad range of initial angular frequencies, the giant-vortex state is adiabatically connected to the bosonic ν = 1/2 Laughlin state. PMID:22355562

  3. A prediction of the rotational states for partially deuterated ammonium ions in NH4 - xDxClO4

    NASA Astrophysics Data System (ADS)

    Maki, Kazuo

    1983-01-01

    Splittings of the librational ground state of partially deuterated ammonium ions in the ammonium perchlorate crystal are calculated. Heat capacity anomalies are predicted to be observed at around 1-3 K, a careful measurement of which will be very useful for characterizing the anisotropy of the rotational potential.

  4. Global ab initio ground-state potential energy surface of N4

    NASA Astrophysics Data System (ADS)

    Paukku, Yuliya; Yang, Ke R.; Varga, Zoltan; Truhlar, Donald G.

    2013-07-01

    We present a global ground-state potential energy surface for N4 suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation in N2-N2 collisions. To obtain the surface, complete active space second-order perturbation theory calculations were performed for the ground singlet state with an active space of 12 electrons in 12 orbitals and the maug-cc-pVTZ triple zeta basis set. About 17 000 ab initio data points have been calculated for the N4 system, distributed along nine series of N2 + N2 geometries and three series of N3 + N geometries. The six-dimensional ground-state potential energy surface is fitted using least-squares fits to the many-body component of the electronic energies based on permutationally invariant polynomials in bond order variables.

  5. Fast ground state manipulation of neutral atoms in microscopic optical traps.

    PubMed

    Yavuz, D D; Kulatunga, P B; Urban, E; Johnson, T A; Proite, N; Henage, T; Walker, T G; Saffman, M

    2006-02-17

    We demonstrate Rabi flopping at MHz rates between ground hyperfine states of neutral 87Rb atoms that are trapped in two micron sized optical traps. Using tightly focused laser beams we demonstrate high fidelity, site specific Rabi rotations with cross talk on neighboring sites separated by 8 microm at the level of 10(-3). Ramsey spectroscopy is used to measure a dephasing time of 870 micros, which is approximately 5000 longer than the time for a pi/2 pulse. PMID:16605988

  6. The millimeter and submillimeter laboratory spectrum of methyl formate in its ground symmetric torsional state

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

    Over 200 rotational lines of methyl formate in its ground (v sub t = 0), symmetric (A) torsional state have been measured in the frequency range 140-550 GHz. Analysis of these and lower frequency transitions permits accurate prediction (below 0.1 MHz) of over 10,000 transitions at frequencies below 600 GHz with angular momentum J lower than 50. The measured spectral lines have permitted identification of over 100 new methyl formate lines in Orion.

  7. 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.

  8. 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

  9. 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.

  10. Analysis of ground state in random bipartite matching

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  11. Comments on variational ground states for lattice hamiltonians

    NASA Astrophysics Data System (ADS)

    Anishetty, Ramesh; Bovier, Anton

    1984-02-01

    We find that the nearest neighbour Jastrow type ground state cannot yield a Lorentz invariant vacuum in the continuum. This is explicitly demonstrated for the chiral model in 1+1 dimensions. The Jastrow ground state is found to be an exact ground state of a new hamiltonian which differs from the original by seemingly ``irrelevant terms'' at the continuum. However these terms prevent the restoration of Lorentz invariance. Finally we speculate that the new hamiltonian can be a non-relativistic approximation with galilean invariance.

  12. Infrared spectroscopy of molecular ions in selected rotational and spin-orbit states

    NASA Astrophysics Data System (ADS)

    Jacovella, U.; Agner, J. A.; Schmutz, H.; Deiglmayr, J.; Merkt, F.

    2016-07-01

    First results are presented obtained with an experimental setup developed to record IR spectra of rotationally state-selected ions. The method we use is a state-selective version of a method developed by Schlemmer et al. [Int. J. Mass Spectrom. 185, 589 (1999); J. Chem. Phys. 117, 2068 (2002)] to record IR spectra of ions. Ions are produced in specific rotational levels using mass-analyzed-threshold-ionization spectroscopy. The state-selected ions generated by pulsed-field ionization of Rydberg states of high principal quantum number (n ≈ 200) are extracted toward an octupole ion guide containing a neutral target gas. Prior to entering the octupole, the ions are excited by an IR laser. The target gas is chosen so that only excited ions react to form product ions. These product ions are detected mass selectively as a function of the IR laser wavenumber. To illustrate this method, we present IR spectra of C 2 H2 + in selected rotational levels of the 2Πu,3/2 and 2Πu,1/2 spin-orbit components of the vibronic ground state.

  13. Infrared spectroscopy of molecular ions in selected rotational and spin-orbit states.

    PubMed

    Jacovella, U; Agner, J A; Schmutz, H; Deiglmayr, J; Merkt, F

    2016-07-01

    First results are presented obtained with an experimental setup developed to record IR spectra of rotationally state-selected ions. The method we use is a state-selective version of a method developed by Schlemmer et al. [Int. J. Mass Spectrom. 185, 589 (1999); J. Chem. Phys. 117, 2068 (2002)] to record IR spectra of ions. Ions are produced in specific rotational levels using mass-analyzed-threshold-ionization spectroscopy. The state-selected ions generated by pulsed-field ionization of Rydberg states of high principal quantum number (n ≈ 200) are extracted toward an octupole ion guide containing a neutral target gas. Prior to entering the octupole, the ions are excited by an IR laser. The target gas is chosen so that only excited ions react to form product ions. These product ions are detected mass selectively as a function of the IR laser wavenumber. To illustrate this method, we present IR spectra of C2H2 (+) in selected rotational levels of the (2)Πu,3/2 and (2)Πu,1/2 spin-orbit components of the vibronic ground state. PMID:27394102

  14. Antifreeze acceptability for ground-coupled heat pump ground loops in the United States

    SciTech Connect

    Den Braven, K.R.

    1998-10-01

    When designing and installing closed-loop ground-coupled heat pumps systems, it is necessary to be aware of applicable environmental regulations. Within the United States, nearly half of the states have regulations specifying or restricting the use of particular antifreezes or other fluids within the ground loop of a ground-coupled heat pump system. A number of other states have regulations pending. While all of these regulations are based on the need to preserve groundwater and/or aquifer quality, the list of acceptable antifreezes varies among those states with specified fluids. Typical antifreezes in use include ethylene glycol, propylene glycol, brines, alcohols, and potassium acetate. Each of these has its benefits and drawbacks. The status of the regulations has been determined for all of the states. An overview of the regulations is presented in this paper, along with a summary of the states` concerns.

  15. Rotating states of self-propelling particles in two dimensions.

    PubMed

    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

  16. 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.

  17. Non-equilibrium pressure control of the height of a large-scale, ground-coupled, rotating fluid column

    NASA Astrophysics Data System (ADS)

    Ash, R. L.; Zardadkhan, I. R.

    2013-05-01

    When a ground-coupled, rotating fluid column is modeled incorporating non-equilibrium pressure forces in the Navier-Stokes equations, a new exact solution results. The solution has been obtained in a similar manner to the classical equilibrium solution. Unlike the infinite-height, classical solution, the non-equilibrium pressure solution yields a ground-coupled rotating fluid column of finite height. A viscous, non-equilibrium Rankine vortex velocity distribution, developed previously, was used to demonstrate how the viscous and non-equilibrium pressure gradient forces, arising in the vicinity of the velocity gradient discontinuity that is present in the classical Rankine vortex model, effectively isolate the rotating central fluid column from the outer potential vortex region. Thus, the non-equilibrium region acts to confine and shield the central, rigid-body-like, rotating fluid core, justifying this examination of how such a rotating fluid column can interact with the ground. The resulting non-equilibrium ground-coupled, rotating fluid column solution was employed to estimate the central column heights of three well-documented dust devils, and the central column height predictions were consistent with published dust devil height statistics.

  18. Approximating the ground state of gapped quantum spin systems

    SciTech Connect

    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.

  19. Inversion of ground-motion data from a seismometer array for rotation using a modification of Jaeger's method

    USGS Publications Warehouse

    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.

  20. Distribution of xp in some molecular rotational states

    NASA Astrophysics Data System (ADS)

    Liu, Q. H.

    2014-02-01

    Developing the analysis of the distribution of the so-called posmom xp to some molecular rotational states for diatomic molecules and spherical cage molecules, we obtain posmometry (introduced recently by Bernard and Gill, 2010 [5]) of the spherical harmonics and demonstrate that it is similar to the momentum distributions of the stationary states for a one-dimensional simple harmonic oscillator. The results are not only potentially experimentally testable but also reflect a fact that the embedding of the two-dimensional spherical surface S2 in three-dimensional flat space R3 is physically self-consistent and appealing.

  1. Evaluation of fault-normal/fault-parallel directions rotated ground motions for response history analysis of an instrumented six-story building

    USGS Publications Warehouse

    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.

  2. Possible ground-state octupole deformation in /sup 229/Pa

    SciTech Connect

    Ahmad, I.; Gindler, J.E.; Betts, R.R.; Chasman, R.R.; Friedman, A.M.

    1982-12-13

    Evidence is presented for the occurrence of a (5/2)/sup + -/ parity doublet as the ground state of /sup 229/Pa, in agreement with a previous theoretical prediction. The doublet splitting energy is measured to be 0.22 +- 0.05 keV. The relation of this doublet to ground-state octupole deformation is discussed. .ID LV2109 .PG 1762 1764

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

    PubMed

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

    2008-05-16

    We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range. PMID:18518481

  4. 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.

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

    SciTech Connect

    Shoemaker, Ian M.; Kusenko, Alexander

    2008-10-01

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

  6. Hindered rotational physisorption states of H2 on Ag(111) surfaces.

    PubMed

    Kunisada, Y; Kasai, H

    2015-07-15

    We have investigated the physisorption states of H2 on Ag(111) surfaces. To clarify the accurate adsorption properties of H2 on Ag(111), we performed first-principles calculations based on spin-polarized density functional theory (DFT) with the semiempirical DFT-D2 method and the newly-developed exchange functional with the non-local correlation functional vdW-DF2 (rev-vdW-DF2). We constructed exhaustive potential energy surfaces, and revealed that non-negligible out-of-plane potential anisotropy with a perpendicular orientation preference exists even for H2 physisorption on planar Ag(111), as predicted by previous results of resonance-enhanced multiphoton ionization spectroscopy and temperature-programmed desorption experiments. Therefore, the molecular rotational ground states of ortho-H2 split into two energy levels in the anisotropic potential. The obtained adsorption energy and the number of bound states, including the zero-point energies and the rotational energy shift, agree with diffractive and rotationally mediated selective adsorption scattering resonance measurements. The origin of the potential anisotropy on Ag(111) is a combination of the London dispersion interaction and the virtual transition of the metal electron to the unoccupied molecular state. PMID:26151425

  7. Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+.

    PubMed

    Antonov, Ivan O; Barker, Beau J; Heaven, Michael C

    2011-01-28

    The ground electronic state of BeOBe(+) was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is (2)Σ(g)(+). Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm(-1)] was refined over previous measurements. Results from recent theoretical calculations for BeOBe(+) (multireference configuration interaction) were found to be in good agreement with the experimental data. PMID:21280724

  8. Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+

    NASA Astrophysics Data System (ADS)

    Antonov, Ivan O.; Barker, Beau J.; Heaven, Michael C.

    2011-01-01

    The ground electronic state of BeOBe+ was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is 2Σg+. Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm-1] was refined over previous measurements. Results from recent theoretical calculations for BeOBe+ (multireference configuration interaction) were found to be in good agreement with the experimental data.

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

    PubMed

    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

  10. Ground-Water Availability in the United States

    USGS Publications Warehouse

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

    2008-01-01

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

  11. 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.

  12. 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

  13. 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

  14. Solving quantum ground-state problems with nuclear magnetic resonance.

    PubMed

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

    2011-01-01

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

  15. Stark effect and dipole moments of the ammonia dimer in different vibration-rotation-tunneling states

    NASA Astrophysics Data System (ADS)

    Cotti, Gina; Linnartz, Harold; Meerts, W. Leo; van der Avoird, Ad; Olthof, Edgar H. T.

    1996-03-01

    In this paper we present Stark measurements on the G:K=-1 vibration-rotation-tunneling (VRT) transition, band origin 747.2 GHz, of the ammonia dimer. The observed splitting pattern and selection rules can be explained by considering the G36 and G144 symmetries of the inversion states involved, and almost complete mixing of these states by the applied electric field. The absolute values of the electric dipole moments of the ground and excited state are determined to be 0.763(15) and 0.365(10) D, respectively. From the theoretical analysis and the observed selection rules it is possible to establish that the dipole moments of the two interchange states must have opposite sign. The theoretical calculations are in good agreement with the experimental results: The calculated dipole moments are -0.74 D for the lower and +0.35 D for the higher state. Our results, in combination with the earlier dipole measurements on the G:K=0 ground state and the G:K=1 transition with band origin 486.8 GHz, confirm that the ammonia dimer is highly nonrigid. Its relatively small and strongly K-dependent dipole moment, which changes sign upon far-infrared excitation, originates from the difference in dynamical behavior of ortho and para NH3.

  16. Production of rovibronic ground-state 85 Rb133 Cs molecules via photoassociation to Ω = 1 states

    NASA Astrophysics Data System (ADS)

    Shimasaki, Toshihiko; Kim, Jin Tae; Demille, David

    2016-05-01

    We have extensively investigated short-range photoassociation (PA) to the (2) 3Π1 , (2) 1Π1 , and (3) 3Σ1+ states of 85 Rb133 Cs in the region between 11650 cm-1 and 12100 cm-1, where strong mixing between triplet and singlet states is expected. In contrast to the previously observed two-photon cascade decay from the (2) 3Π0 states, here we observe that the PA excited states can directly decay to the rovibronic ground state X1Σ+(v = 0 , J = 0) by a one-photon transition. We have observed rich hyperfine structures of the PA states, which were unresolved in previous cold beam experiments in the same region. Based on the analysis of vibrational and rotational branching ratios in the decay process to the X1Σ+ state, we will discuss the molecule production rate in comparison with that for PA to the (2) 3Π0 states. We will also report on a similar study of PA to the B1 Π and (2) 3Σ1+ states of 85 Rb133 Cs, which also produce the rovibronic ground state X1Σ+(v = 0 , J = 0) via direct one-photon decay.

  17. 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

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

    PubMed

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

    2010-05-21

    The existence of definite orders in frustrated quantum systems is related rigorously to the occurrence of fully factorized ground states below a threshold value of the frustration. Ground-state separability thus provides a natural measure of frustration: strongly frustrated systems are those that cannot accommodate for classical-like solutions. The exact form of the factorized ground states and the critical frustration are determined for various classes of nonexactly solvable spin models with different spatial ranges of the interactions. For weak frustration, the existence of disentangling transitions determines the range of applicability of mean-field descriptions in biological and physical problems such as stochastic gene expression and the stability of long-period modulated structures. PMID:20867055

  19. Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters.

    PubMed

    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

  20. Phase diagram of the ground states of DNA condensates.

    PubMed

    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. PMID:26764619

  1. Estimation of beryllium ground state energy by Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Kabir, K. M. Ariful; Halder, Amal

    2015-05-01

    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.

  2. Improved fair sampling of ground states in Ising spin glasses

    NASA Astrophysics Data System (ADS)

    Katzgraber, Helmut G.; Zhu, Zheng; Ochoa, Andrew J.

    2015-03-01

    Verifying that an optimization approach can sample all solutions that minimize a Hamiltonian is a stringent test for any newly-developed algorithm. While most solvers easily compute the minimum of a cost function for small to moderate input sizes, equiprobable sampling of all ground-state configurations (within Poissonian fluctuations) is much harder to obtain. Most notably, methods such as transverse-field quantum annealing fail in passing this test for certain highly-degenerate problems. Here we present an attempt to sample ground states for Ising spin glasses based on a combination of low-temperature parallel tempering Monte Carlo combined with the cluster algorithm by Houdayer. Because the latter is rejection free and obeys details balance, the ground-state manifold is efficiently sampled. We illustrate the approach for Ising spin glasses on the D-Wave Two quantum annealer topology, known as the Chimera graph, as well as two-dimensional Ising spin glasses.

  3. Estimation of beryllium ground state energy by Monte Carlo simulation

    SciTech Connect

    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.

  4. Ground state alignment as a tracer of interplanetary magnetic field

    NASA Astrophysics Data System (ADS)

    Yan, H.

    2012-12-01

    We demonstrate a new way of studying interplanetary magnetic field -- spectropolarimetry based on ground state alignment. Ground state alignment is a new promising way of sub-gausian magnetic fields in radiation-dominated environment. The polarization of spectral lines that are pumped by the anisotropic radiation from the sun is influenced by the magnetic alignment, which happens for sub-gausian magnetic field. As a result, the linear polarization becomes an excellent tracer of the embedded magnetic field. The method is illustrated by our synthetic obser- vation of the Jupiter's Io and comet Halley. A uniform density distribution of Na was considered and polar- ization at each point was then constructed. Both spa- tial and temporal variations of turbulent magnetic field can be traced with this technique as well. Instead of sending thousands of space probes, ground state alignment allows magnetic mapping with any ground telescope facilities equipped with spectrometer and polarimeter. For remote regions like the the boundary of interstellar medium, ground state alignment provides a unique diagnostics of magnetic field, which is crucial for understanding the physical processes such as the IBEX ribbons.

  5. Ground and Excited State Spectra of a Quantum Dot

    NASA Astrophysics Data System (ADS)

    Stewart, D. R.; Sprinzak, D.; Patel, S. R.; Marcus, C. M.; Duruoz, C. I.; Harris, J. S.

    1998-03-01

    We present linear and nonlinear magnetoconductance measurements of the ground and excited state spectra for successive electron occupancy in a gate defined lateral quantum dot. Previous measurementsfootnote D.R. Stewart, D. Sprinzak, C.M. Marcus, C.I. Duruoz and J.S. Harris Jr., Science 278, (1997). showed a direct correlation between the mth excited state of the N-electron system and the ground state of the (N+m)-electron system for m up to 4, consistent to a large degree with a single-particle picture. Here we report quantitative deviations of the excited state spectra from the spectrum of ground state magnetoconductances, attributed to many-body interactions in the finite system of N ~200 electrons. We also describe the behaviour of anticrossings in the ground state magnetoconductances. We acknowledge the support of JSEP (DAAH04-94-G-0058), ARO (DAAH04-95-1-0331), ONR-YIP (N00014-94-1-0622) and the NSF-PECASE program. D.S. acknowledges the support of MINERVA grant.

  6. GROUND BEETLE OCCURRENCE IN ROTATED FIELDS OF BT CORN AND SOYBEAN IN THE SOUTH DAKOTA CORN ROOTWORM AREAWIDE SITE

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Ground beetles are important generalist predators in agricultural landscapes. During 2000-2001 we placed 2 transects of pitfall traps in each of 4 fields of rotated lepidopteran Bt corn and soybean. Sampling was conducted on a weekly basis and traps remained open for a 2-day period. In 2000, we c...

  7. Should ground-motion records be rotated to fault-normal/parallel or maximum direction for response history analysis of buildings?

    USGS Publications Warehouse

    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

  8. Two-electron photoionization of ground-state lithium

    SciTech Connect

    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.

  9. Extensive ground state entropy in supersymmetric lattice models

    SciTech Connect

    Eerten, Hendrik van

    2005-12-15

    We present the result of calculations of the Witten index for a supersymmetric lattice model on lattices of various type and size. Because the model remains supersymmetric at finite lattice size, the Witten index can be calculated using row-to-row transfer matrices and the calculations are similar to calculations of the partition function at negative activity -1. The Witten index provides a lower bound on the number of ground states. We find strong numerical evidence that the Witten index grows exponentially with the number of sites of the lattice, implying that the model has extensive entropy in the ground state.

  10. 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.

  11. Constrained Path Quantum Monte Carlo Method for Fermion Ground States

    NASA Astrophysics Data System (ADS)

    Zhang, Shiwei; Carlson, J.; Gubernatis, J. E.

    1995-05-01

    We propose a new quantum Monte Carlo algorithm to compute fermion ground-state properties. The ground state is projected from an initial wave function by a branching random walk in an over-complete basis space of Slater determinants. By constraining the determinants according to a trial wave function \\|ΨT>, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if \\|ΨT> is exact. We report results on the two-dimensional Hubbard model up to size 16×16, for various electron fillings and interaction strengths.

  12. Characterizing Ground and Thermal States of Few-Body Hamiltonians.

    PubMed

    Huber, Felix; Gühne, Otfried

    2016-07-01

    The question whether a given quantum state is a ground or thermal state of a few-body Hamiltonian can be used to characterize the complexity of the state and is important for possible experimental implementations. We provide methods to characterize the states generated by two- and, more generally, k-body Hamiltonians as well as the convex hull of these sets. This leads to new insights into the question of which states are uniquely determined by their marginals and to a generalization of the concept of entanglement. Finally, certification methods for quantum simulation can be derived. PMID:27419547

  13. Characterizing Ground and Thermal States of Few-Body Hamiltonians

    NASA Astrophysics Data System (ADS)

    Huber, Felix; Gühne, Otfried

    2016-07-01

    The question whether a given quantum state is a ground or thermal state of a few-body Hamiltonian can be used to characterize the complexity of the state and is important for possible experimental implementations. We provide methods to characterize the states generated by two- and, more generally, k -body Hamiltonians as well as the convex hull of these sets. This leads to new insights into the question of which states are uniquely determined by their marginals and to a generalization of the concept of entanglement. Finally, certification methods for quantum simulation can be derived.

  14. Rotation states of the nucleus of Comet Halley compatible with spacecraft images

    NASA Astrophysics Data System (ADS)

    Abergel, A.; Bertaux, J. L.

    1990-07-01

    The positions of the nucleus of Comet Halley have been interpreted, for the observations conducted by the flybys of Vegas 1 and 2 and Giotto, with a pure rotation motion and a period of about 54 hours. Comparisons with ground-based estimates of either the angular momentum or the instantaneous rotation axis of the nucleus indicate that the observed rotation axis during the three spacecraft encounters was moving; on this basis it is suggested that the rotation rate of the nucleus cannot be simple, for all that it may not be far from a pure rotation.

  15. Theoretical study on the ground electronic state of FO(+) and FO(-).

    PubMed

    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

  16. 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.

  17. 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.

  18. Tuning ground states and excitations in complex electronic materials

    SciTech Connect

    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.

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

    DOE PAGESBeta

    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

  20. Muon Spin Rotation Spectroscopy - Utilizing Muons in Solid State Physics

    SciTech Connect

    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.

  1. Determination of the Ground Vibrational State Parameters of the C2D4 Molecule

    NASA Astrophysics Data System (ADS)

    Fomchenko, A. L.; Zhang, F.; Gromova, O. V.; Buttersack, T.

    2016-07-01

    The object of the study is the C2D4 molecule, as it is important to know its properties to address numerous problems of molecular physics. The analysis of high-resolution spectra of the deuterated ethylene molecule was made in the range of 600-1200 cm-1, specifically bands ν7 and ν12. The results obtained were used to determine high-accurate values of the vibrational-rotational levels of the ground vibrational state of the C2D4 molecule.

  2. 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.

  3. Electronic Ground and Excited State Spectral Diffusion of a Photocatalyst

    NASA Astrophysics Data System (ADS)

    Kiefer, Laura M.; King, John T.; Kubarych, Kevin J.

    2014-06-01

    Re(bpy)(CO)_3Cl is a well studied CO_2 reduction catalyst, known for its ability as both a photosensitizer and a catalyst with a high quantum yield and product selectivity. The catalysis reaction is initiated by a 400 nm excitation, followed by an intersystem crossing (ISC) and re-equilibration in the lowest triplet state. We utilize the quasi-equilibrium nature of this long-lived triplet metal-to-ligand charge-transfer (3MLCT) state to completely characterize the solvent dynamics using the technique of transient two-dimensional infrared (t-2DIR) spectroscopy to extract observables such as the frequency-frequency correlation function (FFCF), an equilibrium function. The electronic ground state solvent dynamics are characterized using equilibrium two-dimensional infrared spectroscopy (2D IR). Our technique allows us to independently observe the solvent dynamics of different electronic states and compare them. In this study, three carbonyl stretching modes were utilized to probe both the intramolecular and solvent environments in each electronic state. In the electronic ground state, the totally symmetric mode exhibits pure homogeneous broadening and a lack of spectral dynamics, while the two other modes have similar FFCF decay times of ˜ 1.5 ps. In the 3MLCT, however, all three modes experience similar spectral dynamics and have a FFCF decay time of ˜ 4.5 ps, three times slower than in the electronic ground state. Our technique allows us to directly observe the differences in spectral dynamics of the ground and excited electronic states and allows us to attribute the differences to specific origins such as solvent-solute coupling and molecular flexibility.

  4. Rotation state of 495 Eulalia and its implication

    NASA Astrophysics Data System (ADS)

    Vokrouhlický, D.; Ďurech, J.; Pravec, P.; Oey, J.; Vraštil, J.; Hornoch, K.; Kušnirák, P.; Groom, R.; Warner, B. D.; Bottke, W. F.

    2016-01-01

    Context. The low-albedo part of the Nysa-Polana-Hertha asteroid complex has recently been found to consist of at least two families. The larger of them has been associated with asteroid 495 Eulalia, hereafter named the Eulalia family. The unstable location of this body very close to Jupiter's 3:1 mean motion resonance (J3/1 resonance) at the periphery of the associated family in the space of proper orbital elements makes this case peculiar. Aims: We consider the possibility that 495 Eulalia was originally positioned farther from the J3/1 resonance when the family formed via a catastrophic impact than it is today. It was then transported to its current orbit by the Yarkovsky thermal forces over hundreds of millions of years. This requires that 495 Eulalia had a prograde rotation state. Methods: We use photometric observations and lightcurve inversion methods to determine the rotation pole of 495 Eulalia. Numerical simulation accounting for perturbations from the Yarkovsky effect then reveals the possible pathways of Eulalia orbital evolution. Results: We find that both of the possible pole solutions are prograde, in accordance with our initial hypothesis. In studying the long-term evolution of Eulalia's spin state, we show that the obliquity can oscillate over a large interval of values yet always remain <90°. We estimate that Eulalia could have migrated by as much as ~0.007 au toward the J3/1 resonance within the past 1 Gyr. Our numerical runs show that it could have originated in the orbital zone well aligned with other family members in proper eccentricity, whichafter it gained its current orbit by chaotic evolution along the J3/1 resonance.

  5. A proof that tidal heating in a synchronous rotation is always larger than in an asymptotic nonsynchronous rotation state

    NASA Astrophysics Data System (ADS)

    Levrard, B.

    2008-02-01

    In a recent paper, Wisdom [Wisdom, J., 2008. Icarus, 193, 637-640] derived concise expressions for the rate of tidal dissipation in a synchronously rotating body for arbitrary orbital eccentricity and obliquity. He provided numerical evidence than the derived rate is always larger than in an asymptotic nonsynchronous rotation state at any obliquity and eccentricity. Here, I present a simple mathematical proof of this conclusion and show that this result still holds for any spin-orbit resonance.

  6. Ground State of the Parallel Double Quantum Dot System

    NASA Astrophysics Data System (ADS)

    Žitko, Rok; Mravlje, Jernej; Haule, Kristjan

    2012-02-01

    We resolve the controversy regarding the ground state of the parallel double quantum dot system near half filling. The numerical renormalization group predicts an underscreened Kondo state with residual spin-1/2 magnetic moment, ln⁡2 residual impurity entropy, and unitary conductance, while the Bethe ansatz solution predicts a fully screened impurity, regular Fermi-liquid ground state, and zero conductance. We calculate the impurity entropy of the system as a function of the temperature using the hybridization-expansion continuous-time quantum Monte Carlo technique, which is a numerically exact stochastic method, and find excellent agreement with the numerical renormalization group results. We show that the origin of the unconventional behavior in this model is the odd-symmetry “dark state” on the dots.

  7. 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.

  8. Ground state occupation probabilities of neutrinoless double beta decay candidates

    NASA Astrophysics Data System (ADS)

    Kotila, Jenni; Barea, Jose

    2015-10-01

    A better understanding of nuclear structure can offer important constraints on the calculation of 0 νββ nuclear matrix elements. A simple way to consider differences between initial and final states of neutrinoless double beta decay candidates is to look at the ground state occupation probabilities of initial and final nuclei. As is well known, microscopic interacting boson model (IBM-2) has found to be very useful in the description of detailed aspects of nuclear structure. In this talk I will present results for ground state occupation probabilities obtained using IBM-2 for several interesting candidates of 0 νββ -decay. Comparison with recent experimental results is also made. This work was supported Academy of Finland (Project 266437) and Chilean Ministry of Education (Fondecyt Grant No. 1150564),

  9. Nonmagnetic ground state of PuO2

    NASA Astrophysics Data System (ADS)

    Shick, A. B.; Kolorenč, J.; Havela, L.; Gouder, T.; Caciuffo, R.

    2014-01-01

    The correlated band theory implemented as a combination of the local density approximation with the exact diagonalization of the Anderson impurity model is applied to PuO2. We obtain an insulating electronic structure consistent with the experimental photoemission spectra. The calculations yield a band gap of 1.8 eV and a nonmagnetic singlet ground state that is characterized by a noninteger filling of the plutonium f shell (nf≈4.5). Due to sizable hybridization of the f shell with the p states of oxygen, the ground state is more complex than the four-electron Russell-Saunders 5I4 manifold split by the crystal field. The inclusion of hybridization improves the agreement between the theory and experiment for the magnetic susceptibility.

  10. Ground-state phases of polarized deuterium species

    SciTech Connect

    Panoff, R.M.; Clark, J.W.

    1987-10-01

    Microscopic prediction of the ground-state phase of electron-spin-aligned bulk atomic deuterium (Darrow-down) is attempted, based on the variational Monte Carlo method. The accurate pair potential of Kolos and Wolniewicz is assumed, and three versions of Darrow-down are considered, which, respectively, involve one, two, and three equally occupied nuclear spin states. The most definitive results on the zero-temperature equations of state of these systems are obtained with optimized ground-state trial wave functions incorporating Jastrow pair correlations, triplet correlations, and momentum-dependent backflow effects. The species Darrow-down/sub 3/ is bound already at the pure Jastrow level, while the energy expectation value of Darrow-down/sub 2/ dips below zero upon supplementing the Jastrow description by triplets and momentum-dependent backflow. The variational energy of Darrow-down/sub 1/ remains positive under all current refinements of the ground-state trial function. We conclude that the systems Darrow-down/sub 3/ and Darrow-down/sub 2/, if they could be manufactured and stabilized at relevant densities, would be Fermi liquids at sufficiently low temperature; on the other hand, it is likely that Darrow-down/sub 1/ would remain gaseous down to absolute zero.

  11. On the weighting of SABER temperature profiles for comparison with ground based hydroxyl rotational temperatures.

    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

  12. 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.

  13. 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.

  14. Guidelines for ground motion definition for the eastern United States

    SciTech Connect

    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.

  15. Ground-state properties of quantum triangular ice

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-03-01

    Motivated by recent quantum Monte Carlo (QMC) simulations of the quantum Kagome ice model by Juan Carrasquilla et al., [Nat. Commun., 6, 7421 (2015), 10.1038/ncomms8421], we study the ground-state properties of this model on the triangular lattice. In the presence of a magnetic field h , the Hamiltonian possesses competing interactions between a Z2-invariant easy-axis ferromagnetic interaction J±± and a frustrated Ising term Jz. As in the U(1)-invariant model, we obtain four classical distinctive phases, however, the classical phases in the Z2-invariant model are different. They are as follows: a fully polarized (FP) ferromagnet for large h , an easy-axis canted ferromagnet (CFM) with broken Z2 symmetry for small h and dominant J±±, a ferrosolid phase with broken translational and Z2 symmetries for small h and dominant Jz, and two lobes with m ==±1 /6 for small h and dominant Jz. We show that quantum fluctuations are suppressed in this model, hence the large-S expansion gives an accurate picture of the ground-state properties. When quantum fluctuations are introduced, we show that the ferrosolid state is the ground state in the dominant Ising limit at zero magnetic field. It remains robust for Jz→∞ . With nonzero magnetic field the classical lobes acquire a finite magnetic susceptibility with no Sz order. We present the trends of the ground-state energy and the magnetizations. We also present a detail analysis of the CFM.

  16. The puzzle of the steady-state rotation of a reverse sprinkler

    NASA Astrophysics Data System (ADS)

    Rueckner, Wolfgang

    2015-04-01

    The continuous rotation of the reverse sprinkler has been a puzzle for over two decades. This article presents a series of experiments that demonstrate that a properly designed reverse sprinkler experiences no steady-state torque and does not rotate. Ignoring transients when the flow starts and stops, if any sustained rotation of the reverse sprinkler occurs, it is because a force couple produces a torque accompanied by vortex flow inside the body of the sprinkler. No steady-state rotation occurs if the vortex is suppressed or prevented from forming in the first place. Demonstrative proof is given that an ideal reverse sprinkler does not rotate.

  17. The Determination Of Titan'S Rotational State From Cassini Sar Images

    NASA Astrophysics Data System (ADS)

    Persi Del Marmo, Paolo; Iess, L.; Picardi, G.; Seu, R.; Bertotti, B.

    2007-10-01

    SAR images acquired by the spacecraft Cassini in overlapping strips have been used to determine the vectorial angular velocity of Titan. The method entails the tracking of surface landmarks at different times (and mean anomalies), spanning a period from 2004 to 2007. Each image is referenced both in an inertial frame and in the IAU, Titan-centric, body-fixed reference frame. This referencing is quite precise (accuracy of Cassini relative to Titan position smaller than 100 m). The IAU body-fixed frame assumes a spin axis different from the actual one. By correlating the two images of the same surface region, one gets a two-dimensional vector, which retains information about the true spin axis. This vector provides the magnitude and direction of the displacement to be applied to a reference point of each image in order to produce maximum correlation. The correlation results therefore in a new Titan-centric, inertial referencing of the images, R(t1) and R(t2). The spin axis s is then obtained by requiring that [R(t2) - R(t1)] • s = 0 for each overlapping image pairs. Left hand sides cannot be simultaneously zeroed because Titan doesn't move respect to the known polar axis and the real spin axis must be determined by means of a least square procedure. The magnitude of the angular velocity is then derived from the angle and time between two observations. The Titan pole position estimated is consistent with the occupancy of a Cassini state. If Titan were a rigid body in a Cassini state (with an icy crust anchored to the mantle), one could use theoretical arguments to derive the moment of inertia from the obliquity and the second degree gravity field. However, our results suggest that those theoretical arguments cannot be straightforwardly applied to Titan, whose rotational state is more complex than expected.

  18. a Variational Ground State for the Fractional Quantum Hall Effect.

    NASA Astrophysics Data System (ADS)

    Galejs, Robert Julian

    1987-09-01

    The fractional quantum Hall effect has aroused much interest in recent years. A large portion of the research in this field has centered on the theoretical understanding of the ground state properties of a system of two-dimensional electrons in a perpendicular magnetic field. One of the most successful models for such a system is that of Laughlin, who proposed a trial wavefunction to model the ground state for certain electron densities. The present work examines the ground state of this system variationally for three and four electrons. The ground state was modeled as a sum of Slater determinants composed of one-electron functions from the lowest Landau level. This wavefunction was placed on a disk of neutralizing charge and the coefficients of the determinants varied to minimize the energy. This variational wavefunction may be compared directly with Laughlin's, as well as model densities not described by Laughlin. The energy per electron was found to vary smoothly as a function of filling factor except at discrete points where there was an upward cusp. Downward cusps, as found by other investigators, were not found in this work. In the smooth portions, the wavefunction is incompressible whereas at the cusps, the wavefunction undergoes a drastic change. In the presence of impurities, these upward cusps smooth out and the wavefunction is now charge-density-wave -like near the former location of the cusps. This variation between incompressible and charge-density-wave behavior may give an explanation of the behavior of the Hall plateau widths as a function of impurity concentration. At a filling factor of 1/3 it was found that the Laughlin wavefunction is a very good approximation to the ground state, giving a very large overlap with and only a slightly higher energy than the variational state calculated here. Laughlin's excited states appear to be a good approximation as well, although the details of their charge density may not be. A new class of wavefunctions was

  19. Collisional state-changing of OH- rotations by interaction with Rb atoms in cold traps

    NASA Astrophysics Data System (ADS)

    González-Sánchez, L.; Carelli, F.; Gianturco, F. A.; Wester, R.

    2015-11-01

    We employ an accurate, ab initio potential energy surface (PES) which describes the electronic interaction energy between the molecular anion OH- (1Σ+) and the neutral rubidium atom Rb (2 S), to evaluate the elastic and inelastic cross sections over a range of energies representative of the conditions of low-T experiments in MOT traps, when combined with laser-cooled rubidium gas. The system is considered to be in its vibrational ground state, while the first four rotational levels are taken to be involved in the cooling and heating collisional processes that are computed here. The corresponding cooling and heating rates up to about 35 K are obtained from the calculations and compared with the recent results in a similar experiments, where He was the partner atom of the current anion.

  20. 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.

  1. Room temperature skyrmion ground state stabilized through interlayer exchange coupling

    SciTech Connect

    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.

  2. 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.

  3. Approximating ground and excited state energies on a quantum computer

    NASA Astrophysics Data System (ADS)

    Hadfield, Stuart; Papageorgiou, Anargyros

    2015-04-01

    Approximating ground and a fixed number of excited state energies, or equivalently low-order Hamiltonian eigenvalues, is an important but computationally hard problem. Typically, the cost of classical deterministic algorithms grows exponentially with the number of degrees of freedom. Under general conditions, and using a perturbation approach, we provide a quantum algorithm that produces estimates of a constant number of different low-order eigenvalues. The algorithm relies on a set of trial eigenvectors, whose construction depends on the particular Hamiltonian properties. We illustrate our results by considering a special case of the time-independent Schrödinger equation with degrees of freedom. Our algorithm computes estimates of a constant number of different low-order eigenvalues with error and success probability at least , with cost polynomial in and . This extends our earlier results on algorithms for estimating the ground state energy. The technique we present is sufficiently general to apply to problems beyond the application studied in this paper.

  4. Quantum-classical equivalence and ground-state factorization

    NASA Astrophysics Data System (ADS)

    Abouie, Jahanfar; Sepehrinia, Reza

    2016-02-01

    We have performed an analytical study of quantum-classical equivalence for quantum XY-spin chains with arbitrary interactions to explore the classical counterpart of the factorizing magnetic fields that drive the system into a separable ground state. We demonstrate that the factorizing line in the parameter space of a quantum model is equivalent to the so-called natural boundary that emerges in mapping the quantum XY-model onto the two-dimensional classical Ising model. As a result, we show that the quantum systems with the non-factorizable ground state could not be mapped onto the classical Ising model. Based on the presented correspondence we suggest a promising method for obtaining the factorizing field of quantum systems through the commutation of the quantum Hamiltonian and the transfer matrix of the classical model.

  5. The valence-fluctuating ground state of plutonium

    SciTech Connect

    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.

  6. Topological entanglement entropy, ground state degeneracy and holography

    NASA Astrophysics Data System (ADS)

    Parnachev, Andrei; Poovuttikul, Napat

    2015-10-01

    Topological entanglement entropy, a measure of the long-ranged entanglement, is related to the degeneracy of the ground state on a higher genus surface. The exact relation depends on the details of the topological theory. We consider a class of holographic models where such relation might be similar to the one exhibited by Chern-Simons theory in a certain large N limit. Both the non-vanishing topological entanglement entropy and the ground state degeneracy in these holographic models are consequences of the topological Gauss-Bonnet term in the dual gravitational description. A soft wall holographic model of confinement is used to generate finite correlation length but keep the disk topology of the entangling surface in the bulk, necessary for nonvanishing topological entanglement entropy.

  7. Nuclear quadrupole moment of the {sup 99}Tc ground state

    SciTech Connect

    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.

  8. On the correct electronic ground state of Tc( g )

    SciTech Connect

    Rard, J.A. ); Rand, M.H. ); Thornback, J.R. ); Wanner, H. )

    1991-05-01

    The electronic ground state of Tc({ital g}) is {sup 6}{ital S}{sub 5/2}, which arises from a 4{ital d}{sup 5}5{ital s}{sup 2} valence electron configuration. However, there are several treatises and review articles in which the ground state is incorrectly given as {ital S}{sub 9/2} with a valence electron configuration of 4{ital d}{sup 6}5{ital s}{sup 1}. The origin of this incorrect assignment was traced to the misinterpretation of a paper on the hyperfine splitting of the optical spectrum of technetium, and to confusion between nuclear and electronic spins.

  9. 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.

  10. Ground-State Structures of Atomic Metallic Hydrogen

    NASA Astrophysics Data System (ADS)

    McMahon, Jeffrey M.; Ceperley, David M.

    2011-04-01

    Ab initio random structure searching using density functional theory is used to determine the ground-state structures of atomic metallic hydrogen from 500 GPa to 5 TPa. Including proton zero-point motion within the harmonic approximation, we estimate that molecular hydrogen dissociates into a monatomic body-centered tetragonal structure near 500 GPa (rs=1.23) that remains stable to 1 TPa (rs=1.11). At higher pressures, hydrogen stabilizes in an …ABCABC… planar structure that is similar to the ground state of lithium, but with a different stacking sequence. With increasing pressure, this structure compresses to the face-centered cubic lattice near 3.5 TPa (rs=0.92).

  11. The valence-fluctuating ground state of plutonium

    PubMed Central

    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

  12. 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.

  13. Tuning the Ground State Symmetry of Acetylenyl Radicals.

    PubMed

    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

  14. Tuning the Ground State Symmetry of Acetylenyl Radicals

    PubMed Central

    2015-01-01

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

  15. 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.

  16. 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.

  17. Ground-state entanglement in the XXZ model

    SciTech Connect

    Gu Shijian; Lin Haiqing; Tian Guangshan

    2005-05-15

    In this paper, we investigate spin entanglement in the XXZ model defined on a d-dimensional bipartite lattice. The concurrence, a measure of the entanglement between two spins, is analyzed. We prove rigorously that the ground-state concurrence reaches maximum at the isotropic point. For dimensionality d{>=}2, the concurrence develops a cusp at the isotropic point and we attribute it to the existence of magnetic long-range order.

  18. Ground State Properties and Bubble Structure of Synthesized Superheavy Nuclei

    NASA Astrophysics Data System (ADS)

    Singh, S. K.; Ikram, M.; Patra, S. K.

    2013-01-01

    We calculate the ground state properties of recently synthesized superheavy elements (SHEs) from Z = 105-118 along with the predicted proton magic Z = 120. The relativistic and nonrelativistic mean field formalisms are used to evaluate the binding energy (BE), charge radius, quadrupole deformation parameter and the density distribution of nucleons. We analyzed the stability of the nuclei based on BE and neutron to proton ratio. We also studied the bubble structure which reveals the special features of the superheavy nuclei.

  19. Ground-state energy and relativistic corrections for positronium hydride

    SciTech Connect

    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.

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

    PubMed Central

    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

  1. 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.

  2. Efficient determination of alloy ground-state structures

    NASA Astrophysics Data System (ADS)

    Seko, Atsuto; Shitara, Kazuki; Tanaka, Isao

    2014-11-01

    We propose an efficient approach to accurately finding the ground-state structures in alloys based on the cluster expansion method. In this approach, a small number of candidate ground-state structures are obtained without any information regarding the energy. To generate the candidates, we employ the convex hull constructed from the correlation functions of all possible structures by using an efficient algorithm. This approach is applicable to not only simple lattices, but also complex lattices. First, we evaluate the convex hulls for binary alloys with four types of simple lattice. Then we discuss the structures on the vertices. To examine the accuracy of this approach, we perform a set of density functional theory calculations and the cluster expansion for the Ag-Au alloy and compare the formation energies of the vertex structures with those of all possible structures. As applications, the ground-state structures of the intermetallic compounds CuAu, CuAg, CuPd, AuAg, AuPd, AgPd, MoTa, MoW, and TaW are similarly evaluated. Finally, the energy distribution is obtained for different cation arrangements in the MgAl2O4 spinel, for which long-range interactions are essential for the accurate description of its energetics.

  3. Constrained path Monte Carlo method for fermion ground states

    SciTech Connect

    Zhang, S. |; Carlson, J.; Gubernatis, J.E.

    1997-03-01

    We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a branching random walk in an overcomplete basis of Slater determinants. By constraining the determinants according to a trial wave function {vert_bar}{psi}{sub T}{r_angle}, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if {vert_bar}{psi}{sub T}{r_angle} is exact. We illustrate the method by describing in detail its implementation for the two-dimensional one-band Hubbard model. We show results for lattice sizes up to 16{times}16 and for various electron fillings and interaction strengths. With simple single-determinant wave functions as {vert_bar}{psi}{sub T}{r_angle}, the method yields accurate (often to within a few percent) estimates of the ground-state energy as well as correlation functions, such as those for electron pairing. We conclude by discussing possible extensions of the algorithm. {copyright} {ital 1997} {ital The American Physical Society}

  4. Constrained path Monte Carlo method for fermion ground states

    NASA Astrophysics Data System (ADS)

    Zhang, Shiwei; Carlson, J.; Gubernatis, J. E.

    1997-03-01

    We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a branching random walk in an overcomplete basis of Slater determinants. By constraining the determinants according to a trial wave function \\|ψT>, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if \\|ψT> is exact. We illustrate the method by describing in detail its implementation for the two-dimensional one-band Hubbard model. We show results for lattice sizes up to 16×16 and for various electron fillings and interaction strengths. With simple single-determinant wave functions as \\|ψT>, the method yields accurate (often to within a few percent) estimates of the ground-state energy as well as correlation functions, such as those for electron pairing. We conclude by discussing possible extensions of the algorithm.

  5. Significance of rotating ground motions on nonlinear behavior of symmetric and asymmetric buildings in near fault sites

    USGS Publications Warehouse

    Kalkan, Erol; Juan Carlos Reyes

    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.

  6. Kohn-Sham Theory for Ground-State Ensembles

    SciTech Connect

    Ullrich, C. A.; Kohn, W.

    2001-08-27

    An electron density distribution n(r) which can be represented by that of a single-determinant ground state of noninteracting electrons in an external potential v(r) is called pure-state v -representable (P-VR). Most physical electronic systems are P-VR. Systems which require a weighted sum of several such determinants to represent their density are called ensemble v -representable (E-VR). This paper develops formal Kohn-Sham equations for E-VR physical systems, using the appropriate coupling constant integration. It also derives local density- and generalized gradient approximations, and conditions and corrections specific to ensembles.

  7. Competing ground states of a Peierls-Hubbard nanotube

    NASA Astrophysics Data System (ADS)

    Ohara, Jun; Yamamoto, Shoji

    2009-07-01

    Motivated by iodo platinum complexes assembled within a quadratic-prism lattice, [Pt(C2H8N2)(C10H8N2)I]4(NO3)8, we investigate the ground-state properties of a Peierls-Hubbard four-legged tube. Making a group-theoretical analysis, we systematically reveal a variety of valence arrangements, including half-metallic charge-density-wave states. Quantum and thermal phase competition is numerically demonstrated with particular emphasis on doping-induced successive insulator-to-metal transitions with conductivity increasing stepwise.

  8. 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.

  9. 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. The values of ten constants are determined directly from an optimization to fit ground-state masses of 2149 nuclei ranging from 16O to 106265Sg and 108264Hs. The error of the mass model is 0.5595 MeV for the entire region of nuclei included in the adjustment, but is only 0.3549 MeV for the region N ≥ 65. We also provide masses in the FRLDM, which in the more accurate treatments now has an error of 0.6618 MeV, with 0.5181 MeV for nuclei with N ≥ 65, both somewhat larger than in the FRDM. But in contrast to the FRDM, it is suitable for studies of fission and has been extensively so applied elsewhere, with FRLDM(2002) constants. The FRLDM(2012) fits 31 fission-barrier heights from 70Se to 252Cf with a root-mean-square deviation of 1.052 MeV.

  10. Ground state of naphthyl cation: Singlet or triplet?

    SciTech Connect

    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.

  11. Semiclassical vibration-rotation transition probabilities for motion in molecular state averaged potentials.

    NASA Technical Reports Server (NTRS)

    Stallcop, J. R.

    1971-01-01

    Collision-induced vibration-rotation transition probabilities are calculated from a semiclassical three-dimensional model, in which the collision trajectory is determined by the classical motion in the interaction potential that is averaged over the molecular rotational state, and compared with those for which the motion is governed by a spherically averaged potential. For molecules that are in highly excited rotational states, thus dominating the vibrational relaxation rate at high temperature, it is found that the transition probability for rotational state averaging is smaller than that for spherical averaging. For typical collisions, the transition cross section is decreased by a factor of about 1.5 to 2.

  12. The nonresonant two-photon zero kinetic energy photoelectron spectrum from the electronic ground state of H2S

    NASA Astrophysics Data System (ADS)

    Fischer, Ingo; Lochschmidt, Andreas; Strobel, Andreas; Niedner-Schatteburg, Gereon; Mueller-Dethlefs, Klaus; Bondybey, Vladimir E.

    1993-03-01

    Zero kinetic energy photoelectron spectra from the electronic ground state of hydrogen sulfide are obtained via nonresonant two-photon ionization with complete rotational resolution in the ion. The two-photon spectra are compared with those recently obtained via one-photon VUV photoionization. The spectra show a close similarity, but type a transitions in the two-photon spectra are twice as intense.

  13. Microwave Spectrum of the PD2 Radical in the 2B1 Ground Electronic State

    PubMed

    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 PMID:9473433

  14. The Determination Of Titan's Rotational State From Cassini SAR Images

    NASA Astrophysics Data System (ADS)

    Persi Del Marmo, P.; Iess, L.; Picardi, G.; Seu, R.; Bertotti, B.

    2007-12-01

    - referenced vectors. Titan's rotational state is therefore more complex than expected. If Titan were a rigid body in a Cassini state (with an icy crust anchored to the mantle), one could use theoretical arguments to derive the moment of inertia from the obliquity and the second degree gravity field. However, the new findings suggest that those theoretical arguments cannot be straightforwardly applied.

  15. Continuous Vibrational Cooling of Ground State Rb2

    NASA Astrophysics Data System (ADS)

    Tallant, Jonathan; Marcassa, Luis

    2014-05-01

    The process of photoassociation generally results in a distribution of vibrational levels in the electronic ground state that is energetically close to the dissociation limit. Several schemes have appeared that aim to transfer the population from the higher vibrational levels to lower ones, especially the ground vibrational state. We demonstrate continuous production of vibrationally cooled Rb2 using optical pumping. The vibrationally cooled molecules are produced in three steps. First, we use a dedicated photoassociation laser to produce molecules in high vibrational levels of the X1Σg+ state. Second, a broadband fiber laser at 1071 nm is used to transfer the molecules to lower vibrational levels via optical pumping through the A1Σu+ state. This process transfers the molecules from vibrational levels around ν ~= 113 to a distribution of levels where ν < 35. The molecules may then be further cooled using a broadband superluminescent diode near 685 nm that has its frequency spectrum shaped. The resulting vibrational distributions are probed using resonance-enhanced multiphoton ionization with a pulsed dye laser near 670 nm. The results are presented and compared with theoretical simulations. This work was supported by Fapesp and INCT-IQ.

  16. Ground state of the three-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Yanagisawa, Takashi; Koike, Soh; Yamaji, Kunihiko

    2001-11-01

    The ground state of the two-dimensional three-band Hubbard model in oxide superconductors is investigated by using the variational Monte Carlo method. The Gutzwiller-projected BCS and spin density wave (SDW) functions are employed in the search for a possible ground state with respect to dependences on electron density. Antiferromagnetic correlations are considerably strong near half-filling. It is shown that the d-wave state may exist away from half-filling for both the hole and electron doping cases. The overall structure of the phase diagram obtained by our calculations qualitatively agrees with experimental indications. The superconducting condensation energy is in reasonable agreement with the experimental value obtained from specific heat and critical magnetic field measurements for optimally doped samples. The inhomogeneous SDW state is also examined near 1/8 doping. Incommensurate magnetic structures become stable due to hole doping in the underdoped region, where the transfer tpp between oxygen orbitals plays an important role in determining a stable stripe structure.

  17. Prediction and Control of Slip-Free Rotation States in Sphere Assemblies

    NASA Astrophysics Data System (ADS)

    Stäger, D. V.; Araújo, N. A. M.; Herrmann, H. J.

    2016-06-01

    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.

  18. Prediction and Control of Slip-Free Rotation States in Sphere Assemblies.

    PubMed

    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. PMID:27391726

  19. 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.

  20. Estimating the ground-state probability of a quantum simulation with product-state measurements

    NASA Astrophysics Data System (ADS)

    Yoshimura, Bryce; Freericks, James

    2015-10-01

    .One of the goals in quantum simulation is to adiabatically generate the ground state of a complicated Hamiltonian by starting with the ground state of a simple Hamiltonian and slowly evolving the system to the complicated one. If the evolution is adiabatic and the initial and final ground states are connected due to having the same symmetry, then the simulation will be successful. But in most experiments, adiabatic simulation is not possible because it would take too long, and the system has some level of diabatic excitation. In this work, we quantify the extent of the diabatic excitation even if we do not know a priori what the complicated ground state is. Since many quantum simulator platforms, like trapped ions, can measure the probabilities to be in a product state, we describe techniques that can employ these simple measurements to estimate the probability of being in the ground state of the system after the diabatic evolution. These techniques do not require one to know any properties about the Hamiltonian itself, nor to calculate its eigenstate properties. All the information is derived by analyzing the product-state measurements as functions of time.

  1. Unstable rotational states of string models and width of a hadron

    SciTech Connect

    Sharov, G. S.

    2009-06-01

    Rotational states (planar uniform rotations) of various string hadron models are tested for stability with respect to small disturbances. These models include an open or closed string carrying n massive points (quarks), and their rotational states result in a set of quasilinear Regge trajectories. It is shown that rotations of the linear string baryon model q-q-q and the similar states of the closed string are unstable, because spectra of small disturbances for these states contain complex frequencies, corresponding to exponentially growing modes of disturbances. Rotations of the linear model are unstable for any values of points' masses, but for the closed string we have the threshold effect. This instability is important for describing excited hadrons; in particular, it increases predictions for their width {gamma}. Predicted large values {gamma} for N, {delta} and strange baryons in comparison with experimental data result in unacceptability of the linear string model q-q-q for describing these baryon states.

  2. Haloalkane- Aromatic Complexes in the Ground and Excited States. Molecular Orbital Calculation

    NASA Astrophysics Data System (ADS)

    Brinn, I. M.

    1980-04-01

    CNDO/2 calculations have been carried out on a series of haloalkane-aromatic 1: 1 complexes in the ground and first excited singlet states and one 2 : 1 complex in the ground state. Calculated stabilities agree very well with reported experimental results for the ground state. Our calculations indicate that the substituent effect on complex stability in excited states will be the opposite of that found for the ground state.

  3. Calculation of electron scattering from the ground state of ytterbium

    SciTech Connect

    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.

  4. Dunham coefficients for the X1Σ+ ground state of BH and BD

    NASA Astrophysics Data System (ADS)

    Shayesteh, Alireza; Ghazizadeh, Ehsan

    2015-06-01

    All available spectroscopic data for the X1Σ+, A1Π and B1Σ+ states of BH and BD have been combined in a multi-isotopologue fit to obtain Dunham coefficients for the X1Σ+ ground state. With no vibration-rotation data available for BD, the only way to determine the v = 1 ← 0 interval in the X1Σ+ ground state of BD was to use the 1-1 and 1-0 bands of the B1Σ+ - X1Σ+ system. An incorrect J assignment was found in the published data of the 1-0 band of the B1Σ+ - X1Σ+ system of BD, making them inconsistent with the more accurate data from the A1Π - X1Σ+ system. With the correct J assignment, the v = 1 ← 0 interval in the X1Σ+, A1Π and B1Σ+ states of 11BD were determined to be 1690.773, 1581.095 and 1687.90 cm-1, respectively. The values listed in Huber and Herzberg's book differ from the above values by ∼2B, because they are based on an incorrect J assignment.

  5. Ground state of the universe in quantum cosmology

    NASA Astrophysics Data System (ADS)

    Gorobey, Natalia; Lukyanenko, Alexander

    2016-01-01

    We find a physical state of a closed universe with the minimal excitation of the universe expansion energy in quantum gravity. It is an analog of the vacuum state of the ordinary quantum field theory in the Minkowsky space, but in our approach an energy of space of a closed universe together with the energy of its matter content are minimized. This ground state is chosen among an enlarged set of physical states, compared with the ordinary covariant quantum gravity. In our approach, physical states are determined by weak constraints: quantum mechanical averages of gravitational constraint operators equal zero. As a result, they appear to be non-static in such a modification of quantum gravity. Quantum dynamics of the universe is described by Schrödinger equation with a cosmic time determined by weak gravitational constraints. In order to obtain the observed megascopic universe with the inflation stage just after its quantum beginning, a lot of the energy in the form of the inflaton scalar field condensate is prescribed to the initial state. Parameters of the initial state for a homogeneous model of the universe are calculated.

  6. Rovibrational constants of the ground state and v9 = 1 state of 13C2D4 by high-resolution Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Gabona, M. G.; Woo, J. Q.; Ng, L. L.; Wong, Andy; McNaughton, Don

    2016-03-01

    The Fourier transform infrared (FTIR) rovibrational spectrum of the b-type ν9 band of 13C2D4 was recorded at a unapodized resolution of 0.0063 cm-1 in the 2230-2450 cm-1 region. By assigning and fitting a total of 1171 rotationally resolved infrared transitions of the ν9 band and using the Watson's A-reduced Hamiltonian in the Ir representation, rovibrational constants for the upper state (v9 = 1) up to five quartic centrifugal distortion terms were derived for the first time. The root-mean-square (rms) deviation of the infrared fit was 0.00043 cm-1. The ground state constants of 13C2D4 were determined with higher accuracy than previously by fitting 1485 ground state combination-differences (GSCDs) from the present and previous infrared measurements, with rms deviation of 0.00034 cm-1. The band center of ν9 band of 13C2D4 was determined to be at 2324.3593 cm-1. The equilibrium state rovibrational constants up to all 5 quartic terms were derived from theoretical harmonic calculations at three levels of theory: B3LYP/cc-pVTZ, MP2/cc-pVTZ, and CCSD/cc-pVTZ using the principal axis coordinate system. These constants agreed reasonably well with the ground state constants of 13C2D4 derived from the present experimental GSCD fit. Furthermore, all 3 rotational constants of the upper state (v9 = 1) and of the ground state of 13C2D4 were obtained from anharmonic calculations using B3LYP and MP2 levels with the cc-pVTZ basis set. The calculated rotational constants were found to agree with those derived experimentally within 0.40%.

  7. 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.

  8. 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.

  9. Impact of the nuclear equation of state on models of rotating neutron stars

    SciTech Connect

    Weber, F.; Glendenning, N.K.

    1991-06-03

    The impact of the nuclear equation of state on the properties of rotating neutron stars from two different sources, stable rotation at the general relativistic Kepler period and rotation at the gravitational radiation-reaction driven instability mode, is analyzed. For this purpose models of rotating neutron stars are constructed in the framework of Einstein's theory of general relativity by applying a refined version of Hartle's perturbative stellar structure equations. The investigation is based on a representative collection of a total of seventeen nuclear equations of state, covering both non-relativistic as well as relativistic ones. 41 refs., 3 figs., 2 tabs.

  10. Ground state properties of alkali and alkaline-earth hydrides

    NASA Astrophysics Data System (ADS)

    Fuentealba, P.; Reyes, O.; Stoll, H.; Preuss, H.

    1987-11-01

    The ground state potential energy curves of alkali (LiH to CsH) and alkaline-earth monohydrides (BeH to BaH) have been calculated. A pseudopotential formalism including a core-polarization potential has been used. For the valence correlation energy, two different methods, the local spin-density functional and the configuration interaction with single and double excitations, have been employed. Dissociation energies, bond lengths, vibrational frequencies, anharmonicity constants, and dipole moments are reported. The agreement with experimental values, where available, is very good. A discussion and a comparison with other theoretical values, at different levels of approximation, are also included.