Relativistic Coulomb excitation within the time dependent superfluid local density approximation

DOE PAGES

Stetcu, I.; Bertulani, C. A.; Bulgac, A.; ...

2015-01-06

Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, themore » dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.« less

Non-free gas of dipoles of non-singular screw dislocations and the shear modulus near the melting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malyshev, Cyril, E-mail: malyshev@pdmi.ras.ru

2014-12-15

The behavior of the shear modulus caused by proliferation of dipoles of non-singular screw dislocations with finite-sized core is considered. The representation of two-dimensional Coulomb gas with smoothed-out coupling is used, and the stress–stress correlation function is calculated. A convolution integral expressed in terms of the modified Bessel function K{sub 0} is derived in order to obtain the shear modulus in approximation of interacting dipoles. Implications are demonstrated for the shear modulus near the melting transition which are due to the singularityless character of the dislocations. - Highlights: • Thermodynamics of dipoles of non-singular screw dislocations is studied below themore » melting. • The renormalization of the shear modulus is obtained for interacting dipoles. • Dependence of the shear modulus on the system scales is presented near the melting.« less

Enhanced and tunable electric dipole-dipole interactions near a planar metal film

NASA Astrophysics Data System (ADS)

Zhou, Lei-Ming; Yao, Pei-Jun; Zhao, Nan; Sun, Fang-Wen

2017-08-01

We investigate the enhanced electric dipole-dipole interaction of surface plasmon polaritons (SPPs) supported by a planar metal film waveguide. By taking two nitrogen-vacancy (NV) center electric dipoles in diamond as an example, both the coupling strength and collective relaxation of two dipoles are studied with the numerical Green Function method. Compared to two-dipole coupling on a planar surface, metal film provides stronger and tunable coupling coefficients. Enhancement of the interaction between coupled NV center dipoles could have applications in both quantum information and energy transfer investigation. Our investigation provides systematic results for experimental applications based on a dipole-dipole interaction mediated with SPPs on a planar metal film.

Dipole-dipole interaction in cavity QED: The weak-coupling, nondegenerate regime

NASA Astrophysics Data System (ADS)

Donaire, M.; Muñoz-Castañeda, J. M.; Nieto, L. M.

2017-10-01

We compute the energies of the interaction between two atoms placed in the middle of a perfectly reflecting planar cavity, in the weak-coupling nondegenerate regime. Both inhibition and enhancement of the interactions can be obtained by varying the size of the cavity. We derive exact expressions for the dyadic Green's function of the cavity field which mediates the interactions and apply time-dependent quantum perturbation theory in the adiabatic approximation. We provide explicit expressions for the van der Waals potentials of two polarizable atomic dipoles and the electrostatic potential of two induced dipoles. We compute the van der Waals potentials in three different scenarios: two atoms in their ground states, two atoms excited, and two dissimilar atoms with one of them excited. In addition, we calculate the phase-shift rate of the two-atom wave function in each case. The effect of the two-dimensional confinement of the electromagnetic field on the dipole-dipole interactions is analyzed. This effect depends on the atomic polarization. For dipole moments oriented parallel to the cavity plates, both the electrostatic and the van der Waals interactions are exponentially suppressed for values of the cavity width much less than the interatomic distance, whereas for values of the width close to the interatomic distance, the strength of both interactions is higher than their values in the absence of cavity. For dipole moments perpendicular to the plates, the strength of the van der Waals interaction decreases for values of the cavity width close to the interatomic distance, while it increases for values of the width much less than the interatomic distance with respect to its strength in the absence of cavity. We illustrate these effects by computing the dipole-dipole interactions between two alkali atoms in circular Rydberg states.

Enhanced directional second harmonic radiation via nonlinear interference in 1D metamaterials

NASA Astrophysics Data System (ADS)

Guo, B. S.; Loo, Y. L.; Zhao, Q.; Ong, C. K.

2018-06-01

By using a one-dimensional nonlinear metamaterial in the experiment, we achieve a directional second harmonic radiation via nonlinear interference at approximately 2.5 GHz. Each meta-atom has the structure of coupled split-ring resonators and two varactors arranged parallel (symmetric) or antiparallel (antisymmetric) to each other. With an incident power of approximately  ‑2.7 dBm, the power of the emitted directional wave from the sample is at the scale of nanowatt. This relatively high magnitude of directional nonlinear power is the result of the 1D metamaterial abilities in exhibiting nonlinear magnetoelectric coupling, as well as supporting an electric dipole or magnetic dipole resonance within a narrow second harmonic frequency range.

Pygmy dipole mode in deformed neutron-rich Mg isotopes close to the drip line

NASA Astrophysics Data System (ADS)

Yoshida, Kenichi

2009-10-01

We investigate the microscopic structure of the low-lying isovector-dipole excitation mode in neutron-rich Mg36,38,40 close to the drip line by means of the deformed quasiparticle random-phase approximation employing the Skyrme and the local pairing energy-density functionals. It is found that the low-lying bump structure above the neutron emission-threshold energy develops when the drip line is approached, and that the isovector dipole strength at Ex<10 MeV exhausts about 6.0% of the classical Thomas-Reiche-Kuhn dipole sum rule in Mg40. We obtained the collective dipole modes at around 8-10 MeV in Mg isotopes, that consist of many two-quasiparticle excitations of the neutron. The transition density clearly shows an oscillation of the neutron skin against the isoscalar core. We found significant coupling effects between the dipole and octupole excitation modes due to the nuclear deformation. It is also found that the responses for the compressional dipole and isoscalar octupole excitations are much enhanced in the lower energy region.

Two- and three-photon ionization in the noble gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

McGuire, E.J.

1981-08-01

By using a characteristic Green's function for an exactly solvable Schroedinger equation with an approximation to the central potential of Hermann and Skillman, the cross section for nonresonant two- and three-photon ionization of Ne, Ar, Kr, and Xe were calculated in jl coupling. Expressions for cross sections in jl coupling are given. Comparison with the Ar two-photon cross section of Pindzola and Kelly, calculated using the many-body theory, the dipole-length approximation, and LS coupling shows a disagreement of as much as a factor of 2. The disagreement appears to arise from distortion introduced by shifting the Green's-function resonances to experimentalmore » values.« less

Electric dipole strength and dipole polarizability in 48Ca within a fully self-consistent second random-phase approximation

NASA Astrophysics Data System (ADS)

Gambacurta, D.; Grasso, M.; Vasseur, O.

2018-02-01

The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.

Rotational dynamics of a diatomic molecular ion in a Paul trap

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hashemloo, A.; Dion, C. M., E-mail: claude.dion@umu.se

We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical and the other where the center-of-mass motion is treated classically, while rotational motion is quantized. We study the rotational dynamics and their influence on the motion of the center-of-mass, in the presence of the coupling between the permanent dipole moment of the ion and the trapping electric field. We show that the presence of the permanent dipole moment affects the trajectory of the ion and that it departs from the Mathieu equation solution found for atomic ions. For themore » case of quantum rotations, we also evidence the effect of the above-mentioned coupling on the rotational states of the ion.« less

Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability

NASA Astrophysics Data System (ADS)

Shedge, Sapana V.; Pal, Sourav; Köster, Andreas M.

2011-07-01

Recently, two non-iterative approaches have been proposed to calculate response properties within density functional theory (DFT). These approaches are auxiliary density perturbation theory (ADPT) and the non-iterative approach to the coupled-perturbed Kohn-Sham (NIA-CPKS) method. Though both methods are non-iterative, they use different techniques to obtain the perturbed Kohn-Sham matrix. In this Letter, for the first time, both of these two independent methods have been used for the calculation of dipole-quadrupole polarizabilities. To validate these methods, three tetrahedral molecules viz., P4,CH4 and adamantane (C10H16) have been used as examples. The comparison with MP2 and CCSD proves the reliability of the methodology.

Constraints on exotic dipole-dipole couplings between electrons at the micron scale

NASA Astrophysics Data System (ADS)

Kotler, Shlomi; Ozeri, Roee; Jackson Kimball, Derek

2015-05-01

Until recently, the magnetic dipole-dipole coupling between electrons had not been directly observed experimentally. This is because at the atomic scale dipole-dipole coupling is dominated by the exchange interaction and at larger distances the dipole-dipole coupling is overwhelmed by ambient magnetic field noise. In spite of these challenges, the magnetic dipole-dipole interaction between two electron spins separated by 2.4 microns was recently measured using the valence electrons of trapped Strontium ions [S. Kotler, N. Akerman, N. Navon, Y. Glickman, and R. Ozeri, Nature 510, 376 (2014)]. We have used this measurement to directly constrain exotic dipole-dipole interactions between electrons at the micron scale. For light bosons (mass 0.1 eV), we find that coupling constants describing pseudoscalar and axial-vector mediated interactions must be | gPegPe/4 πℏc | <= 1 . 5 × 10-3 and | gAegAe/4 πℏc | <= 1 . 2 × 10-17 , respectively, at the 90% confidence level. These bounds significantly improve on previous constraints in this mass range: for example, the constraints on axial-vector interactions are six orders of magnitude stronger than electron-positron constraints based on positronium spectroscopy. Supported by the National Science Foundation, I-Core: the Israeli excellence center, and the European Research Council.

Evidence of Soft Dipole Resonance in Li 11 with Isoscalar Character

NASA Astrophysics Data System (ADS)

Kanungo, R.; Sanetullaev, A.; Tanaka, J.; Ishimoto, S.; Hagen, G.; Myo, T.; Suzuki, T.; Andreoiu, C.; Bender, P.; Chen, A. A.; Davids, B.; Fallis, J.; Fortin, J. P.; Galinski, N.; Gallant, A. T.; Garrett, P. E.; Hackman, G.; Hadinia, B.; Jansen, G.; Keefe, M.; Krücken, R.; Lighthall, J.; McNeice, E.; Miller, D.; Otsuka, T.; Purcell, J.; Randhawa, J. S.; Roger, T.; Rojas, A.; Savajols, H.; Shotter, A.; Tanihata, I.; Thompson, I. J.; Unsworth, C.; Voss, P.; Wang, Z.

2015-05-01

The first conclusive evidence of a dipole resonance in Li 11 having isoscalar character observed from inelastic scattering with a novel solid deuteron target is reported. The experiment was performed at the newly commissioned IRIS facility at TRIUMF. The results show a resonance peak at an excitation energy of 1.03 ±0.03 MeV with a width of 0.51 ±0.11 MeV (FWHM). The angular distribution is consistent with a dipole excitation in the distorted-wave Born approximation framework. The observed resonance energy together with shell model calculations show the first signature that the monopole tensor interaction is important in Li 11 . The first ab initio calculations in the coupled cluster framework are also presented.

Multiple transparency windows and Fano interferences induced by dipole-dipole couplings

NASA Astrophysics Data System (ADS)

Diniz, E. C.; Borges, H. S.; Villas-Boas, C. J.

2018-04-01

We investigate the optical properties of a two-level system (TLS) coupled to a one-dimensional array of N other TLSs with dipole-dipole coupling between the first neighbors. The first TLS is probed by a weak field, and we assume that it has a decay rate much greater than the decay rates of the other TLSs. For N =1 and in the limit of a Rabi frequency of a probe field much smaller than the dipole-dipole coupling, the optical response of the first TLS, i.e., its absorption and dispersion, is equivalent to that of a three-level atomic system in the configuration which allows one to observe the electromagnetically induced transparency (EIT) phenomenon. Thus, here we investigate an induced transparency phenomenon where the dipole-dipole coupling plays the same role as the control field in EIT in three-level atoms. We describe this physical phenomenon, named a dipole-induced transparency (DIT), and investigate how it scales with the number of coupled TLSs. In particular, we have shown that the number of TLSs coupled to the main TLS is exactly equal to the number of transparency windows. The ideas presented here are very general and can be implemented in different physical systems, such as an array of superconducting qubits, or an array of quantum dots, spin chains, optical lattices, etc.

Precision measurement of the electromagnetic dipole strengths in Be11

NASA Astrophysics Data System (ADS)

Kwan, E.; Wu, C. Y.; Summers, N. C.; Hackman, G.; Drake, T. E.; Andreoiu, C.; Ashley, R.; Ball, G. C.; Bender, P. C.; Boston, A. J.; Boston, H. C.; Chester, A.; Close, A.; Cline, D.; Cross, D. S.; Dunlop, R.; Finlay, A.; Garnsworthy, A. B.; Hayes, A. B.; Laffoley, A. T.; Nano, T.; Navrátil, P.; Pearson, C. J.; Pore, J.; Quaglioni, S.; Svensson, C. E.; Starosta, K.; Thompson, I. J.; Voss, P.; Williams, S. J.; Wang, Z. M.

2014-05-01

The electromagnetic dipole strength in Be11 between the bound states has been measured using low-energy projectile Coulomb excitation at bombarding energies of 1.73 and 2.09 MeV/nucleon on a Pt196 target. An electric dipole transition probability B(E1;1/2-→1/2+)=0.102(2) e2fm was determined using the semi-classical code Gosia, and a value of 0.098(4) e2fm was determined using the Extended Continuum Discretized Coupled Channels method with the quantum mechanical code FRESCO. These extracted B(E1) values are consistent with the average value determined by a model-dependent analysis of intermediate energy Coulomb excitation measurements and are approximately 14% lower than that determined by a lifetime measurement. The much-improved precisions of 2% and 4% in the measured B(E1) values between the bound states deduced using Gosia and the Extended Continuum Discretized Coupled Channels method, respectively, compared to the previous accuracy of ˜10% will help in our understanding of and better improve the realistic inter-nucleon interactions.

Exploring cogging free magnetic gears

NASA Astrophysics Data System (ADS)

Borgers, Stefan; Völkel, Simeon; Schöpf, Wolfgang; Rehberg, Ingo

2018-06-01

The coupling of two rotating spherical magnets is investigated experimentally, with particular emphasis on those motions in which the driven magnet follows the driving one with a uniform angular speed, which is a feature of the so called cogging free couplings. The experiment makes use of standard equipment and digital image processing. The theory for these couplings is based on fundamental dipole-dipole interactions with analytically accessible solutions. Technical applications of this kind of coupling are foreseeable particularly for small machines, an advantage which also comes in handy for classroom demonstrations of this feature of the fundamental concept of dipole-dipole coupling.

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores.

PubMed

Malkin, B Z; Lummen, T T A; van Loosdrecht, P H M; Dhalenne, G; Zakirov, A R

2010-07-14

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account long range dipole-dipole interactions and anisotropic exchange interactions between the nearest neighbor rare earth ions. The sets of crystal field parameters and anisotropic exchange coupling constants have been determined and their variations along the lanthanide series are discussed.

Bound states of dipolar bosons in one-dimensional systems

NASA Astrophysics Data System (ADS)

Volosniev, A. G.; Armstrong, J. R.; Fedorov, D. V.; Jensen, A. S.; Valiente, M.; Zinner, N. T.

2013-04-01

We consider one-dimensional tubes containing bosonic polar molecules. The long-range dipole-dipole interactions act both within a single tube and between different tubes. We consider arbitrary values of the externally aligned dipole moments with respect to the symmetry axis of the tubes. The few-body structures in this geometry are determined as a function of polarization angles and dipole strength by using both essentially exact stochastic variational methods and the harmonic approximation. The main focus is on the three-, four- and five-body problems in two or more tubes. Our results indicate that in the weakly coupled limit the intertube interaction is similar to a zero-range term with a suitable rescaled strength. This allows us to address the corresponding many-body physics of the system by constructing a model where bound chains with one molecule in each tube are the effective degrees of freedom. This model can be mapped onto one-dimensional Hamiltonians for which exact solutions are known.

Electric dipole moment of the deuteron in the standard model with NN - ΛN - ΣN coupling

NASA Astrophysics Data System (ADS)

Yamanaka, Nodoka

2017-07-01

We calculate the electric dipole moment (EDM) of the deuteron in the standard model with | ΔS | = 1 interactions by taking into account the NN - ΛN - ΣN channel coupling, which is an important nuclear level systematics. The two-body problem is solved with the Gaussian Expansion Method using the realistic Argonne v18 nuclear force and the YN potential which can reproduce the binding energies of Λ3H, Λ3He, and Λ4He. The | ΔS | = 1 interbaryon potential is modeled by the one-meson exchange process. It is found that the deuteron EDM is modified by less than 10%, and the main contribution to this deviation is due to the polarization of the hyperon-nucleon channels. The effect of the YN interaction is small, and treating ΛN and ΣN channels as free is a good approximation for the EDM of the deuteron.

Linking the historical and chemical definitions of diabatic states for charge and excitation energy transfer reactions in condensed phase.

PubMed

Pavanello, Michele; Neugebauer, Johannes

2011-10-07

Marcus theory of electron transfer (ET) and Förster theory of excitation energy transfer (EET) rely on the Condon approximation and the theoretical availability of initial and final states of ET and EET reactions, often called diabatic states. Recently [Subotnik et al., J. Chem. Phys. 130, 234102 (2009)], diabatic states for practical calculations of ET and EET reactions were defined in terms of their interactions with the surrounding environment. However, from a purely theoretical standpoint, the definition of diabatic states must arise from the minimization of the dynamic couplings between the trial diabatic states. In this work, we show that if the Condon approximation is valid, then a minimization of the derived dynamic couplings leads to corresponding diabatic states for ET reactions taking place in solution by diagonalization of the dipole moment matrix, which is equivalent to a Boys localization algorithm; while for EET reactions in solution, diabatic states are found through the Edmiston-Ruedenberg localization algorithm. In the derivation, we find interesting expressions for the environmental contribution to the dynamic coupling of the adiabatic states in condensed-phase processes. In one of the cases considered, we find that such a contribution is trivially evaluable as a scalar product of the transition dipole moment with a quantity directly derivable from the geometry arrangement of the nuclei in the molecular environment. Possibly, this has applications in the evaluation of dynamic couplings for large scale simulations. © 2011 American Institute of Physics

Strong coupling in the optical spectra of polymorphs of a squarylium dye

NASA Astrophysics Data System (ADS)

Tristani-Kendra, M.; Eckhardt, C. J.; Bernstein, J.; Goldstein, E.

1983-06-01

The X-ray structure and single-crystal spectra of monoclinic and triclinic dimorphs of a squarylium dye are reported. Crystal polymorphism is shown to be an effective approach for studying excitation energy transfer in crystals. The long-axis-polarized transition leads to quasi-metallic reflection bands which cannot be fitted by molecular polariton calculations in the point-dipole approximation.

Phase transition studies of BiMnO3: Mean field theory approximations

NASA Astrophysics Data System (ADS)

Priya K. B, Lakshmi; Natesan, Baskaran

2015-06-01

We studied the phase transition and magneto-electric coupling effect of BiMnO3 by employing mean field theory approximations. To capture the ferromagnetic and ferroelectric transitions of BiMnO3, we construct an extended Ising model in a 2D square lattice, wherein, the magnetic (electric) interactions are described in terms of the direct interactions between the localized magnetic (electric dipole) moments of Mn ions with their nearest neighbors. To evaluate our model, we obtain magnetization, magnetic susceptibility and electric polarization using mean field approximation calculations. Our results reproduce both the ferromagnetic and the ferroelectric transitions, matching very well with the experimental reports. Furthermore, consistent with experimental observations, our mean field results suggest that there is indeed a coupling between the magnetic and electric ordering in BiMnO3.

Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

NASA Astrophysics Data System (ADS)

Lyutorovich, N.; Tselyaev, V.; Speth, J.; Krewald, S.; Grümmer, F.; Reinhard, P.-G.

2015-10-01

We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree-Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119.

PubMed

Lim, Ivan S; Schwerdtfeger, Peter; Metz, Bernhard; Stoll, Hermann

2005-03-08

Two-component and scalar relativistic energy-consistent pseudopotentials for the group 1 elements from K to element 119 are presented using nine electrons for the valence space definition. The accuracy of such an approximation is discussed for dipole polarizabilities and ionization potentials obtained at the coupled-cluster level as compared to experimental and all-electron Douglas-Kroll results.

Optimal control of orientation and entanglement for two dipole-dipole coupled quantum planar rotors.

PubMed

Yu, Hongling; Ho, Tak-San; Rabitz, Herschel

2018-05-09

Optimal control simulations are performed for orientation and entanglement of two dipole-dipole coupled identical quantum rotors. The rotors at various fixed separations lie on a model non-interacting plane with an applied control field. It is shown that optimal control of orientation or entanglement represents two contrasting control scenarios. In particular, the maximally oriented state (MOS) of the two rotors has a zero entanglement entropy and is readily attainable at all rotor separations. Whereas, the contrasting maximally entangled state (MES) has a zero orientation expectation value and is most conveniently attainable at small separations where the dipole-dipole coupling is strong. It is demonstrated that the peak orientation expectation value attained by the MOS at large separations exhibits a long time revival pattern due to the small energy splittings arising form the extremely weak dipole-dipole coupling between the degenerate product states of the two free rotors. Moreover, it is found that the peak entanglement entropy value attained by the MES remains largely unchanged as the two rotors are transported to large separations after turning off the control field. Finally, optimal control simulations of transition dynamics between the MOS and the MES reveal the intricate interplay between orientation and entanglement.

Restoring the Pauli principle in the random phase approximation ground state

NASA Astrophysics Data System (ADS)

Kosov, D. S.

2017-12-01

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

Phase transition studies of BiMnO{sub 3}: Mean field theory approximations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lakshmi Priya, K. B.; Natesan, Baskaran, E-mail: nbaski@nitt.edu

We studied the phase transition and magneto-electric coupling effect of BiMnO{sub 3} by employing mean field theory approximations. To capture the ferromagnetic and ferroelectric transitions of BiMnO{sub 3}, we construct an extended Ising model in a 2D square lattice, wherein, the magnetic (electric) interactions are described in terms of the direct interactions between the localized magnetic (electric dipole) moments of Mn ions with their nearest neighbors. To evaluate our model, we obtain magnetization, magnetic susceptibility and electric polarization using mean field approximation calculations. Our results reproduce both the ferromagnetic and the ferroelectric transitions, matching very well with the experimental reports.more » Furthermore, consistent with experimental observations, our mean field results suggest that there is indeed a coupling between the magnetic and electric ordering in BiMnO{sub 3}.« less

Angle-dependent quantum Otto heat engine based on coherent dipole-dipole coupling

NASA Astrophysics Data System (ADS)

Su, Shan-He; Luo, Xiao-Qing; Chen, Jin-Can; Sun, Chang-Pu

2016-08-01

Electromagnetic interactions between molecules or within a molecule have been widely observed in biological systems and exhibit broad application for molecular structural studies. Quantum delocalization of molecular dipole moments has inspired researchers to explore new avenues to utilize this physical effect for energy harvesting devices. Herein, we propose a simple model of the angle-dependent quantum Otto heat engine which seeks to facilitate the conversion of heat to work. Unlike previous studies, the adiabatic processes are accomplished by varying only the directions of the magnetic field. We show that the heat engine continues to generate power when the angle relative to the vector r joining the centres of coupled dipoles departs from the magic angle θm where the static coupling vanishes. A significant improvement in the device performance has to be attributed to the presence of the quantum delocalized levels associated with the coherent dipole-dipole coupling. These results obtained may provide a promising model for the biomimetic design and fabrication of quantum energy generators.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

NASA Astrophysics Data System (ADS)

Peters, William K.; Tiwari, Vivek; Jonas, David M.

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

PubMed

Peters, William K; Tiwari, Vivek; Jonas, David M

2017-11-21

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Metamaterial-enhanced coupling between magnetic dipoles for efficient wireless power transfer

NASA Astrophysics Data System (ADS)

Urzhumov, Yaroslav; Smith, David R.

2011-05-01

Nonradiative coupling between conductive coils is a candidate mechanism for wireless energy transfer applications. In this paper we propose a power relay system based on a near-field metamaterial superlens and present a thorough theoretical analysis of this system. We use time-harmonic circuit formalism to describe all interactions between two coils attached to external circuits and a slab of anisotropic medium with homogeneous permittivity and permeability. The fields of the coils are found in the point-dipole approximation using Sommerfeld integrals which are reduced to standard special functions in the long-wavelength limit. We show that, even with a realistic magnetic loss tangent of order 0.1, the power transfer efficiency with the slab can be an order of magnitude greater than free-space efficiency when the load resistance exceeds a certain threshold value. We also find that the volume occupied by the metamaterial between the coils can be greatly compressed by employing magnetic permeability with a large anisotropy ratio.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miyao, Tadahiro; Spohn, Herbert

The retarded van der Waals potential, as first obtained by Casimir and Polder, is usually computed on the basis of nonrelativistic quantum electrodynamics . The Hamiltonian describes two infinitely heavy nuclei, charge e, separated by a distance R and two spinless electrons, charge -e, nonrelativistically coupled to the quantized radiation field. Casimir and Polder used the dipole approximation and small coupling to the Maxwell field. We employ here the full Hamiltonian and determine the asymptotic strength of the leading -R{sup -7} potential, which is valid for all e. Our computation is based on a path integral representation and expands inmore » 1/R, rather than in e.« less

Study of switching behavior of exchange-coupled nanomagnets by transverse magnetization metrology

NASA Astrophysics Data System (ADS)

Dey, Himadri S.; Csaba, Gyorgy; Bernstein, Gary H.; Porod, Wolfgang

2017-05-01

We investigate the static switching modes of nanomagnets patterned from antiferromagnetically exchange-coupled magnetic multilayers, and compare them to nanomagnets having only dipole coupling between the ferromagnetic layers. Vibrating sample magnetometry experiments, supported by micromagnetic simulations, reveal two distinct switching mechanisms between the exchange-coupled and only dipole-coupled nanomagnets. The exchange-coupled nanomagnets exhibit gradual switching of the layers, dictated by the strong antiferromagnetic exchange coupling present between the layers. However, the layers of the only dipole-coupled nanomagnets show abrupt nucleation/growth type switching. A comprehensive understanding of the switching modes of such layered and patterned systems can add new insight into the reversal mechanisms of similar systems employed for spintronic and magneto-logic device applications.

Anisotropy-Induced Quantum Interference and Population Trapping between Orthogonal Quantum Dot Exciton States in Semiconductor Cavity Systems

NASA Astrophysics Data System (ADS)

Hughes, Stephen; Agarwal, Girish S.

2017-02-01

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well as photonic crystal waveguides coupled to spin states or linearly polarized excitons are considered. We demonstrate how the dipole-dipole coupling can control the radiative decay rate of excitons and form pure entangled states in the long time limit. We investigate both field-free entanglement evolution and coherently pumped exciton regimes, and show how a double-field pumping scenario can completely eliminate the decay of coherent Rabi oscillations and lead to population trapping. In the Mollow triplet regime, we explore the emitted spectra from the driven dipoles and show how a nonpumped dipole can take on the form of a spectral triplet, quintuplet, or a singlet, which has applications for producing subnatural linewidth single photons and more easily accessing regimes of high-field quantum optics and cavity-QED.

Anisotropy-Induced Quantum Interference and Population Trapping between Orthogonal Quantum Dot Exciton States in Semiconductor Cavity Systems.

PubMed

Hughes, Stephen; Agarwal, Girish S

2017-02-10

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well as photonic crystal waveguides coupled to spin states or linearly polarized excitons are considered. We demonstrate how the dipole-dipole coupling can control the radiative decay rate of excitons and form pure entangled states in the long time limit. We investigate both field-free entanglement evolution and coherently pumped exciton regimes, and show how a double-field pumping scenario can completely eliminate the decay of coherent Rabi oscillations and lead to population trapping. In the Mollow triplet regime, we explore the emitted spectra from the driven dipoles and show how a nonpumped dipole can take on the form of a spectral triplet, quintuplet, or a singlet, which has applications for producing subnatural linewidth single photons and more easily accessing regimes of high-field quantum optics and cavity-QED.

Field Distribution and Coupling Investigation of an Eight-Channel RF Coil Consisting of Different Dipole Coil Elements for 7 T MRI.

PubMed

Chen, Zhichao; Solbach, Klaus; Erni, Daniel; Rennings, Andreas

2017-06-01

In this contribution, we investigate the [Formula: see text] distribution and coupling characteristics of a multichannel radio frequency (RF) coil consisting of different dipole coil elements for 7 T MRI, and explore the feasibility to achieve a compromise between field distribution and decoupling by combining different coil elements. Two types of dipole elements are considered here: the meander dipole element with a chip-capacitor-based connection to the RF shield which achieves a sufficient decoupling between the neighboring elements; and the open-ended meander dipole element which exhibits a broader magnetic field distribution. By nesting the open-ended dipole elements in between the ones with end-capacitors, the [Formula: see text] distribution, in terms of field penetration depth and homogeneity, is improved in comparison to the dipole coil consisting only of the elements with end-capacitors, and at the same time, the adjacent elements are less coupled to each other in comparison to the dipole coil consisting only of the open-ended elements. The proposed approach is validated by both full-wave simulation and experimental results.

Fermion dipole moment and holography

NASA Astrophysics Data System (ADS)

Kulaxizi, Manuela; Rahman, Rakibur

2015-12-01

In the background of a charged AdS black hole, we consider a Dirac particle endowed with an arbitrary magnetic dipole moment. For non-zero charge and dipole coupling of the bulk fermion, we find that the dual boundary theory can be plagued with superluminal modes. Requiring consistency of the dual CFT amounts to constraining the strength of the dipole coupling by an upper bound. We briefly discuss the implications of our results for the physics of holographic non-Fermi liquids.

Can nonadditive dispersion forces explain chain formation of nanoparticles?

NASA Astrophysics Data System (ADS)

Kwaadgras, Bas W.; Verdult, Maarten W. J.; Dijkstra, Marjolein; van Roij, René

2013-03-01

We study to what extent dielectric nanoparticles prefer to self-assemble into linear chains or into more compact structures. To calculate the Van der Waals (VdW) attraction between the clusters we use the Coupled Dipole Method (CDM), which treats each atom in the nanoparticle as an inducible oscillating point dipole. The VdW attraction then results from the full many-body interactions between the dipoles. For non-capped nanoparticles, we calculate in which configuration the VdW attraction is maximal. We find that in virtually all cases we studied, many-body effects only result in local potential minima at the linear configuration, as opposed to global ones, and that these metastable minima are in most cases rather shallow compared to the thermal energy. In this work, we also compare the CDM results with those from Hamaker-de Boer and Axilrod-Teller theory to investigate the influence of the many-body effects and the accuracy of these two approximate methods.

Influence of dielectric substrate on the responsivity of microstrip dipole-antenna-coupled infrared microbolometers.

PubMed

Codreanu, Iulian; Boreman, Glenn D

2002-04-01

We report on the influence of the dielectric substrate on the performance of microstrip dipole-antenna-coupled microbolometers. The location, the width, and the magnitude of the resonance of a printed dipole are altered when the dielectric substrate is backed by a ground plane. A thicker dielectric substrate shifts the antenna resonance toward shorter dipole lengths and leads to a stronger and slower detector response. The incorporation of an air layer into the antenna substrate further increases thermal impedance, leading to an even stronger response and shifting the antenna resonance toward longer dipole lengths.

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

NASA Astrophysics Data System (ADS)

Felker, Peter M.; Bačić, Zlatko

2017-09-01

We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

The Dipole Segment Model for Axisymmetrical Elongated Asteroids

NASA Astrophysics Data System (ADS)

Zeng, Xiangyuan; Zhang, Yonglong; Yu, Yang; Liu, Xiangdong

2018-02-01

Various simplified models have been investigated as a way to understand the complex dynamical environment near irregular asteroids. A dipole segment model is explored in this paper, one that is composed of a massive straight segment and two point masses at the extremities of the segment. Given an explicitly simple form of the potential function that is associated with the dipole segment model, five topological cases are identified with different sets of system parameters. Locations, stabilities, and variation trends of the system equilibrium points are investigated in a parametric way. The exterior potential distribution of nearly axisymmetrical elongated asteroids is approximated by minimizing the acceleration error in a test zone. The acceleration error minimization process determines the parameters of the dipole segment. The near-Earth asteroid (8567) 1996 HW1 is chosen as an example to evaluate the effectiveness of the approximation method for the exterior potential distribution. The advantages of the dipole segment model over the classical dipole and the traditional segment are also discussed. Percent error of acceleration and the degree of approximation are illustrated by using the dipole segment model to approximate four more asteroids. The high efficiency of the simplified model over the polyhedron is clearly demonstrated by comparing the CPU time.

Lineshapes of Dipole-Dipole Resonances in a Cold Rydberg Gas

NASA Astrophysics Data System (ADS)

Richards, B. G.; Jones, R. R.

2015-05-01

We have examined the lineshapes associated with Stark tuned, dipole-dipole resonances involving Rydberg atoms in a cold gas. Rb atoms in a MOT are laser excited from the 5 p level to 32p3 / 2 in the presence of a weak electric field. A fast rising electric field pulse Stark tunes the total energy of two 32 p atom pairs so it is (nearly) degenerate with that of the 32s1 / 2+33s1 / 2 states. Because of the dipole-dipole coupling, atom pairs separated by a distance R, develop 32s1 / 2+33s1 / 2 character. The maximum probability for finding atoms in s-states depends on the detuning from degeneracy and on the dipole-dipole coupling. We obtain the ``resonance'' lineshape by measuring, via state-selective field ionization, the s-state population as a function of the tuning field. The resonance width decreases with density due to R-3 dependence of the dipole-dipole coupling. In principle, the lineshape provides information about the distribution of Rydberg atom spacings in the sample. For equally spaced atoms, the lineshape should be Lorentzian while for a random nearest neighbor distribution it appears as a cusp. At low densities nearly Gaussian lineshapes are observed with widths that are too large to be the result of inhomogeneous electric or magnetic fields. Supported by the NSF.

Heat Transfer Through Dipolar Coupling: Sympathetic cooling without contact

NASA Astrophysics Data System (ADS)

Oktel, Mehmet; Renklioglu, Basak; Tanatar, Bilal

We consider two parallel layers of dipolar ultracold gases at different temperatures and calculate the heat transfer through dipolar coupling. As the simplest model we consider a system in which both of the layers contain two-dimensional spin-polarized Fermi gases. The effective interactions describing the correlation effects and screening between the dipoles are obtained by the Euler-Lagrange Fermi-hypernetted-chain approximation in a single layer. We use the random-phase approximation (RPA) for the interactions across the layers. We find that heat transfer through dipolar coupling becomes efficient when the layer separation is comparable to dipolar interaction length scale. We characterize the heat transfer by calculating the time constant for temperature equilibration between the layers and find that for the typical experimental parameter regime of dipolar molecules this is on the order of milliseconds. We generalize the initial model to Boson-Boson and Fermion-Boson layers and suggest that contactless sympathetic cooling may be used for ultracold dipolar molecules. Supported by TUBITAK 1002-116F030.

Radiative loss and charge exchange in low energy Na - Ca+ collisions

NASA Astrophysics Data System (ADS)

McLaughlin, B. M.; McAlpine, K.; McCann, J. F.; Pattillo, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.

2016-05-01

Experiments on radiative loss and capture are currently being performed at the University of Connecticut. In response to this experimental effort we have performed detailed calculations for a variety of loss and capture processes. Several low lying states of the NaCa+ cation are used with the accurate potentials energy curves, transition dipole moments and non-adiabatic coupling matrix elements between the states, obtained at the MRCI+Q level of approximation with the MOLPRO suite of quantum chemistry codes. Cross sections and rate coefficients are calculated for radiative charge transfer (RCX), radiative association (RA) and charge exchange in a fully quantum molecular close-coupling (MOCC) approximation at the higher energies. We use a variety of approaches, the optical potential method, semi-classical and MOCC methods to compare and contrast approximations. In addition a kinetic theory recently applied to SiO is utilized which illustrates the dramatic impact resonances have on the radiative association rates. Supported by NASA and HLRS at Stuttgart University.

Kohn's theorem in a superfluid Fermi gas with a Feshbach resonance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohashi, Y.

2004-12-01

We investigate the dipole mode in a superfluid gas of Fermi atoms trapped in a harmonic potential. According to Kohn's theorem, the frequency of this collective mode is not affected by an interaction between the atoms and is always equal to the trap frequency. This remarkable property, however, does not necessarily hold in an approximate theory. We explicitly prove that the Hartree-Fock-Bogoliubov generalized random phase approximation (HFB-GRPA), including a coupling between fluctuations in the density and Cooper channels, is consistent with both Kohn's theorem as well as Goldstone's theorem. This proof can be immediately extended to the strong-coupling superfluid theorymore » developed by Nozieres and Schmitt-Rink (NSR), where the effect of superfluid fluctuations is included within the Gaussian level. As a result, the NSR-GRPA formalism can be used to study collective modes in the BCS-BEC crossover region in a manner which is consistent with Kohn's theorem. We also include the effect of a Feshbach resonance and a condensate of the associated molecular bound states. A detailed discussion is given of the unusual nature of the Kohn mode eigenfunctions in a Fermi superfluid, in the presence and absence of a Feshbach resonance. When the molecular bosons feel a different trap frequency from the Fermi atoms, the dipole frequency is shown to depend on the strength of effective interaction associated with the Feshbach resonance.« less

Magnetic field evolution in white dwarfs: The hall effect and complexity of the field

NASA Technical Reports Server (NTRS)

Muslimov, A. G.; Van Horn, H. M.; Wood, M. A.

1995-01-01

We calculate the evolution of the magnetic fields in white dwarfs, taking into account the Hall effect. Because this effect depends nonlinearly upon the magnetic field strength B, the time dependences of the various multipole field components are coupled. The evolution of the field is thus significantly more complicated than has been indicated by previous investigations. Our calculations employ recent white dwarf evolutionary sequences computed for stars with masses 0.4, 0.6, 0.8, and 1.0 solar mass. We show that in the presence of a strong (up to approximately 10(exp 9) G) internal toroidal magnetic field; the evolution of even the lowest order poloidal modes can be substantially changed by the Hall effect. As an example, we compute the evolution of an initially weak quadrupole component, which we take arbitrarily to be approximately 0.1%-1% of the strength of a dominant dipole field. We find that coupling provided by the Hall effect can produce growth of the ratio of the quadrupole to the dipole component of the surface value of the magnetic field strength by more than a factor of 10 over the 10(exp 9) to 10(exp 10) year cooling lifetime of the white dwarf. Some consequences of these results for the process of magnetic-field evolution in white dwarfs are briefly discussed.

Cavity quantum electrodynamics in the nonperturbative regime

NASA Astrophysics Data System (ADS)

De Bernardis, Daniele; Jaako, Tuomas; Rabl, Peter

2018-04-01

We study a generic cavity-QED system where a set of (artificial) two-level dipoles is coupled to the electric field of a single-mode L C resonator. This setup is used to derive a minimal quantum mechanical model for cavity QED, which accounts for both dipole-field and direct dipole-dipole interactions. The model is applicable for arbitrary coupling strengths and allows us to extend the usual Dicke model into the nonperturbative regime of QED, where the dipole-field interaction can be associated with an effective fine-structure constant of order unity. In this regime, we identify three distinct classes of normal, superradiant, and subradiant vacuum states and discuss their characteristic properties and the transitions between them. Our findings reconcile many of the previous, often contradictory predictions in this field and establish a common theoretical framework to describe ultrastrong-coupling phenomena in a diverse range of cavity-QED platforms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moyotl, A.; Rosado, A.; Tavares-Velasco, G.

The magnetic dipole moment and the electric dipole moment of leptons are calculated under the assumption of lepton flavor violation (LFV) induced by spin-1 unparticles with both vector and axial-vector couplings to leptons, including a CP-violating phase. The experimental limits on the muon magnetic dipole moment and LFV process, such as the decay l{sub i}{sup -}{yields}l{sub j}{sup -}l{sub k}{sup -}l{sub k}{sup +}, are then used to constrain the LFV couplings for particular values of the unparticle operator dimension d{sub U} and the unparticle scale {Lambda}{sub U}, assuming that LFV transitions between the tau and muon leptons are dominant. It ismore » found that the current experimental constraints favor a scenario with dominance of the vector couplings over the axial-vector couplings. We also obtain estimates for the electric dipole moments of the electron and the muon, which are well below the experimental values.« less

Nonsymmorphic symmetry-protected topological modes in plasmonic nanoribbon lattices

NASA Astrophysics Data System (ADS)

Zhang, Yong-Liang; Wu, Raymond P. H.; Kumar, Anshuman; Si, Tieyan; Fung, Kin Hung

2018-04-01

Using a dynamic eigenresponse theory, we study the topological edge plasmon modes in dispersive plasmonic lattices constructed by unit cells of multiple nanoribbons. In dipole approximation, the bulk-edge correspondence in the lattices made of dimerized unit cell and one of its square-root daughter with nonsymmorphic symmetry are demonstrated. Calculations with consideration of dynamic long-range effects and retardation are compared to those given by nearest-neighbor approximations. It is shown that nonsymmorphic symmetry opens up two symmetric gaps where versatile topological edge plasmon modes are found. Unprecedented spectral shifts of the edge states with respect to the zero modes due to long-range coupling are found. The proposed ribbon structure is favorable to electrical gating and thus could serve as an on-chip platform for electrically controllable subwavelength edge states at optical wavelengths. Our eigenresponse approach provides a powerful tool for the radiative topological mode analysis in strongly coupled plasmonic lattices.

Measurement of untruncated nuclear spin interactions via zero- to ultralow-field nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Blanchard, J. W.; Sjolander, T. F.; King, J. P.; Ledbetter, M. P.; Levine, E. H.; Bajaj, V. S.; Budker, D.; Pines, A.

2015-12-01

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) provides a new regime for the measurement of nuclear spin-spin interactions free from the effects of large magnetic fields, such as truncation of terms that do not commute with the Zeeman Hamiltonian. One such interaction, the magnetic dipole-dipole coupling, is a valuable source of spatial information in NMR, though many terms are unobservable in high-field NMR, and the coupling averages to zero under isotropic molecular tumbling. Under partial alignment, this information is retained in the form of so-called residual dipolar couplings. We report zero- to ultralow-field NMR measurements of residual dipolar couplings in acetonitrile-2-13C aligned in stretched polyvinyl acetate gels. This permits the investigation of dipolar couplings as a perturbation on the indirect spin-spin J coupling in the absence of an applied magnetic field. As a consequence of working at zero magnetic field, we observe terms of the dipole-dipole coupling Hamiltonian that are invisible in conventional high-field NMR. This technique expands the capabilities of zero- to ultralow-field NMR and has potential applications in precision measurement of subtle physical interactions, chemical analysis, and characterization of local mesoscale structure in materials.

Beyond Clausius-Mossotti - Wave propagation on a polarizable point lattice and the discrete dipole approximation. [electromagnetic scattering and absorption by interstellar grains

NASA Technical Reports Server (NTRS)

Draine, B. T.; Goodman, Jeremy

1993-01-01

We derive the dispersion relation for electromagnetic waves propagating on a lattice of polarizable points. From this dispersion relation we obtain a prescription for choosing dipole polarizabilities so that an infinite lattice with finite lattice spacing will mimic a continuum with dielectric constant. The discrete dipole approximation is used to calculate scattering and absorption by a finite target by replacing the target with an array of point dipoles. We compare different prescriptions for determining the dipole polarizabilities. We show that the most accurate results are obtained when the lattice dispersion relation is used to set the polarizabilities.

On generalized Mulliken-Hush approach of electronic transfer: Inclusion of non-zero off-diagonal diabatic dipole moment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kryachko, E.S.

1999-06-03

The electronic coupling between the initial and final diabatic states is the major factor that determines the rate of electron transfer. A general formula for the adiabatic-to-diabatic mixing angle in terms of the electronic dipole moments is derived within a two-state model. It expresses the electronic coupling determining the rate of electronic transfer in terms of the off-diagonal diabatic dipole moment.

On the dipole approximation with error estimates

NASA Astrophysics Data System (ADS)

Boßmann, Lea; Grummt, Robert; Kolb, Martin

2018-01-01

The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the wavelength is considerably larger than the atomic length scale, which holds under usual experimental conditions. We prove the dipole approximation in the limit of infinite wavelengths compared to the atomic length scale and estimate the rate of convergence. Our results include N-body Coulomb potentials and experimentally relevant electromagnetic fields such as plane waves and laser pulses.

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

NASA Astrophysics Data System (ADS)

Gim, Yeongrok; Lee, Chun-Woo

2014-10-01

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipole moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n2. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s-d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n-3/2 dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.

Dipole Approximation to Predict the Resonances of Dimers Composed of Dielectric Resonators for Directional Emission: Dielectric Dimers Dipole Approximation

DOE PAGES

Campione, Salvatore; Warne, Larry K.; Basilio, Lorena I.

2017-09-29

In this paper we develop a fully-retarded, dipole approximation model to estimate the effective polarizabilities of a dimer made of dielectric resonators. They are computed from the polarizabilities of the two resonators composing the dimer. We analyze the situation of full-cubes as well as split-cubes, which have been shown to exhibit overlapping electric and magnetic resonances. We compare the effective dimer polarizabilities to ones retrieved via full-wave simulations as well as ones computed via a quasi-static, dipole approximation. We observe good agreement between the fully-retarded solution and the full-wave results, whereas the quasi-static approximation is less accurate for the problemmore » at hand. The developed model can be used to predict the electric and magnetic resonances of a dimer under parallel or orthogonal (to the dimer axis) excitation. This is particularly helpful when interested in locating frequencies at which the dimer will emit directional radiation.« less

Quantitative analysis on electric dipole energy in Rashba band splitting.

PubMed

Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

2015-09-01

We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime.

Quantitative analysis on electric dipole energy in Rashba band splitting

PubMed Central

Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

2015-01-01

We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime. PMID:26323493

Self-consistent chaos in a mean-field Hamiltonian model of fluids and plasmas

NASA Astrophysics Data System (ADS)

del-Castillo-Negrete, D.; Firpo, Marie-Christine

2002-11-01

We present a mean-field Hamiltonian model that describes the collective dynamics of marginally stable fluids and plasmas. In plasmas, the model describes the self-consistent evolution of electron holes and clumps in phase space. In fluids, the model describes the dynamics of vortices with negative and positive circulation in shear flows. The mean-field nature of the system makes it a tractable model to study the dynamics of large degrees-of-freedom, coupled Hamiltonian systems. Here we focus in the role of self-consistent chaos in the formation and destruction of phase space coherent structures. Numerical simulations in the finite N and in the Narrow kinetic limit (where N is the number of particles) show the existence of coherent, rotating dipole states. We approximate the dipole as two macroparticles, and show that the N = 2 limit has a family of rotating integrable solutions described by a one degree-of-freedom nontwist Hamiltonian. The coherence of the dipole is explained in terms of a parametric resonance between the rotation frequency of the macroparticles and the oscillation frequency of the self-consistent mean field. For a class of initial conditions, the mean field exhibits a self-consistent, elliptic-hyperbolic bifurcation that leads to the destruction of the dipole and violent mixing of the phase space.

Time-domain calculations of the polarized Raman spectra, the transient infrared absorption anisotropy, and the extent of delocalization of the OH stretching mode of liquid water.

PubMed

Torii, Hajime

2006-08-03

The polarized Raman spectrum and the time dependence of the transient infrared (TRIR) absorption anisotropy are calculated for the OH stretching mode of liquid water (neat liquid H2O) by using time-domain formulations, which include the effects of both the diagonal frequency modulations (of individual oscillators) induced by the interactions between the dipole derivatives and the intermolecular electric field, and the off-diagonal (intermolecular) vibrational coupling described by the transition dipole coupling (TDC) mechanism. The IR spectrum of neat liquid H2O and the TRIR anisotropy of a liquid mixture of H2O/HDO/D2O are also calculated. It is shown that the calculated features of these optical signals, including the temperature dependence of the polarized Raman and IR spectra, are in reasonable agreement with the experimental results, indicating that the frequency separation between the isotropic and anisotropic components of the polarized Raman spectrum and the rapid decay (approximately 0.1 ps) of the TRIR anisotropy of the OH stretching mode of neat liquid H2O are mainly controlled by the resonant intermolecular vibrational coupling described by the TDC mechanism. Comparing with the time evolution of vibrational excitations, it is suggested that the TRIR anisotropy decays in the time needed for the initially localized vibrational excitations to delocalize over a few oscillators. It is also shown that the enhancement of the dipole derivatives by the interactions with surrounding molecules is an important factor in generating the spectral profiles of the OH stretching Raman band. The time-domain behavior of the molecular motions that affect the spectroscopic features is discussed.

Equivalent source modeling of the core magnetic field using magsat data

NASA Technical Reports Server (NTRS)

Mayhew, M. A.; Estes, R. H.

1983-01-01

Experiments are carried out on fitting the main field using different numbers of equivalent sources arranged in equal area at fixed radii at and inside the core-mantle boundary. In fixing the radius for a given series of runs, the convergence problems that result from the extreme nonlinearity of the problem when dipole positions are allowed to vary are avoided. Results are presented from a comparison between this approach and the standard spherical harmonic approach for modeling the main field in terms of accuracy and computational efficiency. The modeling of the main field with an equivalent dipole representation is found to be comparable to the standard spherical harmonic approach in accuracy. The 32 deg dipole density (42 dipoles) corresponds approximately to an eleventh degree/order spherical harmonic expansion (143 parameters), whereas the 21 dipole density (92 dipoles) corresponds to approximately a seventeenth degree and order expansion (323 parameters). It is pointed out that fixing the dipole positions results in rapid convergence of the dipole solutions for single-epoch models.

Pinning down electroweak dipole operators of the top quark

DOE PAGES

Schulze, Markus; Soreq, Yotam

2016-08-19

Here, we consider hadronic top quark pair production and pair production in association with a photon or a Z boson to probe electroweak dipole couplings in tb¯W, tt¯γ, and tt¯Z interactions. We demonstrate how measurements of these processes at the 13 TeV LHC can be combined to disentangle and constrain anomalous dipole operators. The construction of cross section ratios allows us to significantly reduce various uncertainties and exploit orthogonal sensitivity between the tt¯γ and tt¯Z couplings. In addition, we show that angular correlations in tt¯ production can be used to constrain the remaining tb¯W dipole operator. Our approach yields excellentmore » sensitivity to the anomalous couplings and can be a further step toward precise and direct measurements of the top quark electroweak interactions.« less

Significance of distinct electron-correlation effects in determining the (P ,T )-odd electric dipole moment of 171Yb

NASA Astrophysics Data System (ADS)

Sahoo, B. K.; Singh, Yashpal

2017-06-01

The parity and time-reversal violating electric dipole moment (EDM) of 171Yb is calculated accounting for the electron-correlation effects over the Dirac-Hartree-Fock method in the relativistic Rayleigh-Schrödinger many-body perturbation theory, with the second- [MBPT(2) method] and third-order [MBPT(3) method] approximations, and two variants of all-order relativistic many-body approaches, in the random phase approximation (RPA) and coupled-cluster (CC) method with singles and doubles (CCSD method) framework. We consider electron-nucleus tensor-pseudotensor (T-PT) and nuclear Schiff moment (NSM) interactions as the predominant sources that induce EDM in a diamagnetic atomic system. Our results from the CCSD method to EDM (da) of 171Yb due to the T-PT and NSM interactions are found to be da=4.85 (6 ) ×10-20<σ > CT|e | cm and da=2.89 (4 ) ×10-17S /(|e |fm3) , respectively, where CT is the T-PT coupling constant and S is the NSM. These values differ significantly from the earlier calculations. The reason for the same has been attributed to large correlation effects arising through non-RPA type of interactions among the electrons in this atom that are observed by analyzing the differences in the RPA and CCSD results. This has been further scrutinized from the MBPT(2) and MBPT(3) results and their roles have been demonstrated explicitly.

Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, Timothy F. G., E-mail: tim.green@materials.ox.ac.uk; Yates, Jonathan R., E-mail: jonathan.yates@materials.ox.ac.uk

2014-06-21

We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing themore » heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, {sup 1}J(P-Ag) and {sup 2}J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW.« less

Regularized quasinormal modes for plasmonic resonators and open cavities

NASA Astrophysics Data System (ADS)

Kamandar Dezfouli, Mohsen; Hughes, Stephen

2018-03-01

Optical mode theory and analysis of open cavities and plasmonic particles is an essential component of optical resonator physics, offering considerable insight and efficiency for connecting to classical and quantum optical properties such as the Purcell effect. However, obtaining the dissipative modes in normalized form for arbitrarily shaped open-cavity systems is notoriously difficult, often involving complex spatial integrations, even after performing the necessary full space solutions to Maxwell's equations. The formal solutions are termed quasinormal modes, which are known to diverge in space, and additional techniques are frequently required to obtain more accurate field representations in the far field. In this work, we introduce a finite-difference time-domain technique that can be used to obtain normalized quasinormal modes using a simple dipole-excitation source, and an inverse Green function technique, in real frequency space, without having to perform any spatial integrations. Moreover, we show how these modes are naturally regularized to ensure the correct field decay behavior in the far field, and thus can be used at any position within and outside the resonator. We term these modes "regularized quasinormal modes" and show the reliability and generality of the theory by studying the generalized Purcell factor of dipole emitters near metallic nanoresonators, hybrid devices with metal nanoparticles coupled to dielectric waveguides, as well as coupled cavity-waveguides in photonic crystals slabs. We also directly compare our results with full-dipole simulations of Maxwell's equations without any approximations, and show excellent agreement.

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong, E-mail: xsli@uw.edu

2015-12-21

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strengthmore » can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.« less

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation.

PubMed

Lestrange, Patrick J; Egidi, Franco; Li, Xiaosong

2015-12-21

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

NASA Astrophysics Data System (ADS)

Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong

2015-12-01

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

Studies of singlet Rydberg series of LiH derived from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gim, Yeongrok; Department of Chemistry, Ajou University, Suwon 443-749; Lee, Chun-Woo, E-mail: clee@ajou.ac.kr

2014-10-14

The 50 singlet states of LiH composed of 49 Rydberg states and one non-Rydberg ionic state derivable from Li(nl) + H(1s), with n ≤ 6 and l ≤ 4, are studied using the multi-reference configuration interaction method combined with the Stuttgart/Köln group's effective core potential/core polarization potential method. Basis functions that can yield energy levels up to the 6g orbital of Li have been developed, and they are used with a huge number of universal Kaufmann basis functions for Rydberg states. The systematics and regularities of the physical properties such as potential energies, quantum defects, permanent dipole moments, transition dipolemore » moments, and nonadiabatic coupling matrix elements of the Rydberg series are studied. The behaviors of potential energy curves and quantum defect curves are explained using the Fermi approximation. The permanent dipole moments of the Rydberg series reveal that they are determined by the sizes of the Rydberg orbitals, which are proportional to n{sup 2}. Interesting mirror relationships of the dipole moments are observed between l-mixed Rydberg series, with the rule Δl = ±1, except for s–d mixing, which is also accompanied by n-mixing. The members of the l-mixed Rydberg series have dipole moments with opposite directions. The first derivatives of the dipole moment curves, which show the charge-transfer component, clearly show not only mirror relationships in terms of direction but also oscillations. The transition dipole moment matrix elements of the Rydberg series are determined by the small-r region, with two consequences. One is that the transition dipole moment matrix elements show n{sup −3/2} dependence. The other is that the magnitudes of the transition dipole moment matrix elements decrease rapidly as l increases.« less

Theoretical studies of photoexcitation and ionization in H2O

NASA Technical Reports Server (NTRS)

Diercksen, G. H. F.; Kraemer, W. P.; Rescigno, T. N.; Bender, C. F.; Mckoy, B. V.; Langhoff, S. R.; Langhoff, P. W.

1982-01-01

Theoretical studies using Franck-Condon and static-exchange approximations are reported for the complete dipole excitation and ionization spectrum in H2O, where (1) large Cartesian Gaussian basis sets are used to represent the required discrete and continuum electronic eigenfunctions at the ground state equilibrium geometry, and (2) previously devised moment-theory techniques are employed in constructing the continuum oscillator-strength densities from the calculated spectra. Comparisons are made of the calculated excitation and ionization profiles with recent experimental photoabsorption studies and corresponding spectral assignments, electron impact-excitation cross sections, and dipole and synchrotron-radiation studies of partial-channel photoionization cross sections. The calculated partial-channel cross sections are found to be atomic-like, and dominated by 2p-kd components. It is suggested that the latter transition couples with the underlying 1b(1)-kb(1) channel, accounting for a prominent feature in recent synchrotron-radiation measurements.

Nuclear fluxes during coherent tunnelling in asymmetric double well potentials

NASA Astrophysics Data System (ADS)

Liu, ChunMei; Manz, Jörn; Yang, Yonggang

2015-08-01

Previous results for nuclear fluxes during coherent tunnelling of molecules with symmetric double well potentials are extended to fluxes in asymmetric double well potentials. The theory is derived using the two-state approximation (TSA). The symmetric system serves as a reference. As an example, we consider the one-dimensional model of the tunnelling inversion of oriented ammonia, with semiclassical dipole coupling to an electric field. The tunnelling splitting increases with the dipole coupling by a factor f≥slant 1. The tunnelling time decreases by 1/f. The nuclear density appears as the sum of two parts: The tunnelling part decreases as {1/f}2 times the density of the symmetric reference, whereas the non-tunnelling part is the initial density times ≤ft({{1-1}/f}2\\right). Likewise, the nuclear flux decreases by 1/f, with essentially the same shape as for the symmetric reference, with maximum value at the potential barrier. Coherent nuclear tunnellings starting from the upper or lower wells of the asymmetric potential are equivalent. The results are universal, in the frame of the TSA, hence they allow straightforward extrapolations from one system to others. This is demonstrated by the prediction of isotope effects for five isotopomers of ammonia.

Magnetic dipole strength in 128Xe and 134Xe in the spin-flip resonance region

NASA Astrophysics Data System (ADS)

Massarczyk, R.; Rusev, G.; Schwengner, R.; Dönau, F.; Bhatia, C.; Gooden, M. Â. E.; Kelley, J. Â. H.; Tonchev, A. Â. P.; Tornow, W.

2014-11-01

The magnetic dipole strength in the energy region of the spin-flip resonance is investigated in 128Xe and 134Xe using quasimonoenergetic and linearly polarized γ -ray beams at the High-Intensity γ -Ray Source facility in Durham, North Carolina, USA. Absorption cross sections were deduced for the magnetic and electric and dipole strength distributions separately for various intervals of excitation energy, including the strength of states in the unresolved quasicontinuum. The magnetic dipole strength distributions show structures resembling a resonance in the spin-flip region around an excitation energy of 8 MeV. The electric dipole strength distributions obtained from the present experiments are in agreement with the ones deduced from an earlier experiment using broad-band bremsstrahlung instead of a quasimonoenergetic beam. The experimental magnetic and electric dipole strength distributions are compared with phenomenological approximations and with predictions of a quasiparticle random phase approximation in a deformed basis.

Low-lying dipole modes in 26,28Ne in the quasiparticle relativistic random phase approximation

NASA Astrophysics Data System (ADS)

Cao, Li-Gang; Ma, Zhong-Yu

2005-03-01

The low-lying isovector dipole strengths in the neutron-rich nuclei 26Ne and 28Ne are investigated in the quasiparticle relativistic random phase approximation. Nuclear ground-state properties are calculated in an extended relativistic mean field theory plus Bardeen-Cooper-Schrieffer (BCS) method where the contribution of the resonant continuum to pairing correlations is properly treated. Numerical calculations are tested in the case of isovector dipole and isoscalar quadrupole modes in the neutron-rich nucleus 22O. It is found that in the present calculation, low-lying isovector dipole strengths at Ex<10MeV in nuclei 26Ne and 26Ne exhaust about 4.9% and 5.8% of the Thomas-Reiche-Kuhn dipole sum rule, respectively. The centroid energy of the low-lying dipole excitation is located at 8.3 MeV in 26Ne and 7.9 MeV in 28Ne.

Multilevel effects on the balance of dipole-allowed to dipole-forbidden transitions in Rydberg atoms induced by a dipole interaction with slow charged projectiles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Syrkin, M.I.

1996-02-01

In collisions of Rydberg atoms with charged projectiles at velocities approximately matching the speed of the Rydberg electron {ital v}{sub {ital n}} (matching velocity), {ital n} being the principal quantum number of the Rydberg level, the dipole-forbidden transitions with large angular-momentum transfer {Delta}{ital l}{gt}1 substantially dominate over dipole-allowed transitions {Delta}{ital l}=1, although both are induced by the dipole interaction. Here it is shown that as the projectile velocity decreases the adiabatic character of the depopulation depends on the energy distribution of states in the vicinity of the initial level. If the spectrum is close to degeneracy (as for high-{ital l}more » levels) the dipole-forbidden depopulation prevails practically over the entire low-velocity region, down to velocities {approximately}{ital n}{sup 3}[{Delta}{ital E}/Ry]{ital v}{sub {ital n}}, where {Delta}{ital E} is the energy spacing adjoining to the level due to either a quantum defect or the relevant level width or splitting, whichever is greater. If the energy gaps are substantial (as for strongly nonhydrogenic {ital s} and {ital p} levels in alkali-metal atoms), then the fraction of dipole transitions in the total depopulation reaches a flat minimum just below the matching velocity and then grows again, making the progressively increasing contribution to the low-velocity depopulation. The analytic models based on the first-order Born amplitudes (rather than the two-level adiabatic approximation) furnish reasonable estimates of the fractional dipole-allowed and dipole-forbidden depopulations. {copyright} {ital 1996 The American Physical Society.}« less

Density Functional Approach to Superfluid Phonon in Inner Crust of Neutron Stars

NASA Astrophysics Data System (ADS)

Inakura, Tsunenori; Matsuo, Masayuki

We investigate superfluid phonon emerging in inner crust of neutron stars by means of the nuclear density functional theory. Adopting the Wigner-Seitz approximation and a single spherical cell, we describe low-lying collective excitation with the dipole multipolarity. It is found that the superfluid phonon standing on the low-density neutron superfluid does not penetrate into the interior of the nuclear cluster. This suggests that the coupling between the superfluid phonon and the lattice phonon could be weak, and it may affect the thermal conductivity of inner crust.

Electric-dipole-coupled H2O@C60 dimer: Translation-rotation eigenstates from twelve-dimensional quantum calculations.

PubMed

Felker, Peter M; Bačić, Zlatko

2017-02-28

We report on variational solutions to the twelve-dimensional (12D) Schrödinger equation appertaining to the translation-rotation (TR) eigenstates of H 2 O@C 60 dimer, associated with the quantized "rattling" motions of the two encapsulated H 2 O molecules. Both H 2 O and C 60 moieties are treated as rigid and the cage-cage geometry is taken to be fixed. We consider the TR eigenstates of H 2 O@C 60 monomers in the dimer to be coupled by the electric dipole-dipole interaction between water moieties and develop expressions for computing the matrix elements of that interaction in a dimer basis composed of products of monomer 6D TR eigenstates reported by us recently [P. M. Felker and Z. Bačić, J. Chem. Phys. 144, 201101 (2016)]. We use these expressions to compute TR Hamiltonian matrices of H 2 O@C 60 dimer for two values of the water dipole moment and for various dimer geometries. 12D TR eigenstates of the dimer are then obtained by filter diagonalization. The results reveal two classes of eigenstates, distinguished by the leading order (first or second) at which dipole-dipole coupling contributes to them. The two types of eigenstates differ in the general magnitude of their dipole-induced energy shifts and in the dependence of those shifts on the value of the water dipole moment and on the distance between the H 2 O@C 60 monomers. The dimer results are also found to be markedly insensitive to any change in the orientations of the C 60 cages. Finally, the results lend some support for the interpretation that electric dipole-dipole coupling is at least partially responsible for the apparent reduced-symmetry environment experienced by H 2 O in the powder samples of H 2 O@C 60 [K. S. K. Goh et al., Phys. Chem. Chem. Phys. 16, 21330 (2014)], but only if the water dipole is taken to have a magnitude close to that of free water. The methodology developed in the paper is transferable directly to the calculation of TR eigenstates of larger H 2 O@C 60 assemblies, that will be required for more extensive modeling of crystalline H 2 O@C 60 .

Avoiding bias effects in NMR experiments for heteronuclear dipole-dipole coupling determinations: principles and application to organic semiconductor materials.

PubMed

Kurz, Ricardo; Cobo, Marcio Fernando; de Azevedo, Eduardo Ribeiro; Sommer, Michael; Wicklein, André; Thelakkat, Mukundan; Hempel, Günter; Saalwächter, Kay

2013-09-16

Carbon-proton dipole-dipole couplings between bonded atoms represent a popular probe of molecular dynamics in soft materials or biomolecules. Their site-resolved determination, for example, by using the popular DIPSHIFT experiment, can be challenged by spectral overlap with nonbonded carbon atoms. The problem can be solved by using very short cross-polarization (CP) contact times, however, the measured modulation curves then deviate strongly from the theoretically predicted shape, which is caused by the dependence of the CP efficiency on the orientation of the CH vector, leading to an anisotropic magnetization distribution even for isotropic samples. Herein, we present a detailed demonstration and explanation of this problem, as well as providing a solution. We combine DIPSHIFT experiments with the rotor-directed exchange of orientations (RODEO) method, and modifications of it, to redistribute the magnetization and obtain undistorted modulation curves. Our strategy is general in that it can also be applied to other types of experiments for heteronuclear dipole-dipole coupling determinations that rely on dipolar polarization transfer. It is demonstrated with perylene-bisimide-based organic semiconductor materials, as an example, in which measurements of dynamic order parameters reveal correlations of the molecular dynamics with the phase structure and functional properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiscale simulations of defect dipole-enhanced electromechanical coupling at dilute defect concentrations

NASA Astrophysics Data System (ADS)

Liu, Shi; Cohen, R. E.

2017-08-01

The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defect level remains mostly at the empirical level, and the detailed atomistic mechanisms for many defect-mediated polarization-switching processes have not been convincingly revealed quantum mechanically. We simulate the polarization-electric field (P-E) and strain-electric field (ɛ-E) hysteresis loops for BaTiO3 in the presence of generic defect dipoles with large-scale molecular dynamics and provide a detailed atomistic picture of the defect dipole-enhanced electromechanical coupling. We develop a general first-principles-based atomistic model, enabling a quantitative understanding of the relationship between macroscopic ferroelectric properties and dipolar impurities of different orientations, concentrations, and dipole moments. We find that the collective orientation of dipolar defects relative to the external field is the key microscopic structure feature that strongly affects materials hardening/softening and electromechanical coupling. We show that a small concentration (≈0.1 at. %) of defect dipoles dramatically improves electromechanical responses. This offers the opportunity to improve the performance of inexpensive polycrystalline ferroelectric ceramics through defect dipole engineering for a range of applications including piezoelectric sensors, actuators, and transducers.

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

Negative refraction with low absorption using Raman transitions with magnetoelectric coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sikes, D. E.; Yavuz, D. D.

2010-07-15

We suggest a scheme for obtaining negative refraction that does not require the simultaneous presence of an electric-dipole and a magnetic-dipole transition near the same transition frequency. The key idea of the scheme is to obtain a strong electric response by using far-off-resonant Raman transitions. We propose to use a pair of electric-dipole Raman transitions and utilize magneto-electric cross coupling to achieve a negative index of refraction without requiring negative permeability. The interference of the two Raman transitions allows tunable negative refraction with low absorption.

The visible extinction peaks of Ag nanohelixes: A periodic effective dipole model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Z.-Y.; Zhao, Y.-P.

2011-02-21

Using the discrete dipole approximation method, two visible extinction peaks are found for Ag nanohelixes. Both of them redshift periodically in an approximate half pitch with the helix height and redshift linearly with the helix diameter and pitch height. At the two absorbance peaks, an integer number of E-field maxima occur along the helix. These field maxima could be treated as results of collective electron oscillations by periodic effective dipoles within a half pitch along the helix. The wavelengths of the absorbance peaks are found to scale with the effective dipole length, which is consistent with the periodic structure ofmore » the helix.« less

Born approximation for scattering by evanescent waves: Comparison with exact scattering by an infinite fluid cylinder

NASA Astrophysics Data System (ADS)

Marston, Philip L.

2004-05-01

In some situations, evanescent waves can be an important component of the acoustic field within the sea bottom. For this reason (as well as to advance the understanding of scattering processes) it can be helpful to examine the modifications to scattering theory resulting from evanescence. Modifications to ray theory were examined in a prior approximation [P. L. Marston, J. Acoust. Soc. Am. 113, 2320 (2003)]. The new research concerns the modifications to the low-frequency Born approximation and confirmation by comparison with the exact two-dimensional scattering by a fluid cylinder. In the case of a circular cylinder having the same density as the surroundings but having a compressibility contrast with the surroundings, the Born approximation with a nonevanescent incident wave gives only monopole scattering. When the cylinder has a density contrast and the same compressibility as the surroundings the regular Born approximation gives only dipole scattering (with the dipole oriented along to the incident wavevector). In both cases when the Born approximation is modified to include the evanescence of the incident wave, an additional dipole scattering term is evident. In each case the new dipole is oriented along to the decay axis of the evanescent wave. [Research supported by ONR.

The Physics of Coupled Atomic-Molecular Condensate System

DTIC Science & Technology

2010-10-09

electric dipoles represents a novel state of matter with long-range and anisotropic dipole-dipole interactions, that are highly amenable to the...free-bound FC factor. Simultaneously, a series of laser �elds of (molecular) Rabi frequency i (i 2) are applied to move the molecules from the

Resonance energy transfer: when a dipole fails.

PubMed

Andrews, David L; Leeder, Jamie M

2009-05-14

The Coulombic coupling of electric dipole (E1) transition moments is the most commonly studied and widely operative mechanism for energy migration in multichromophore systems. However a significant number of exceptions exist, in which donor decay and/or acceptor excitation processes are E1-forbidden. The alternative transfer mechanisms that can apply in such cases include roles for higher multipole transitions, exciton- or phonon-assisted interactions, and non-Coulombic interactions based on electron exchange. A quantum electrodynamical formulation provides a rigorous basis to assess the first of these, specifically addressing the relative significance of higher multipole contributions to the process of energy transfer in donor-acceptor systems where electric dipole transitions are precluded by symmetry. Working within the near-zone limit, where donor-acceptor separations are small in comparison to the chromophore scale, the analysis highlights the contributions of both electric quadrupole-electric quadrupole (E2-E2) coupling and the seldom considered second-order electric dipole-electric dipole (E1(2)-E1(2)) coupling. For both forms of interaction, experimentally meaningful rate equations are secured by the use of orientational averaging, and the mechanisms are analyzed with reference to systems in which E1-forbidden transitions are commonly reported.

Aspects Topologiques de la Theorie des Champs et leurs Applications

NASA Astrophysics Data System (ADS)

Caenepeel, Didier

This thesis is dedicated to the study of various topological aspects of field theory, and is divided in three parts. In two space dimensions the possibility of fractional statistics can be implemented by adding an appropriate "fictitious" electric charge and magnetic flux to each particle (after which they are known as anyons). Since the statistical interaction is rather difficult to handle, a mean-field approximation is used in order to describe a gas of anyons. We derive a criterion for the validity of this approximation using the inherent feature of parity violation in the scattering of anyons. We use this new method in various examples of anyons and show both analytically and numerically that the approximation is justified if the statistical interaction is weak, and that it must be more weak for boson-based than for fermion-based anyons. Chern-Simons theories give an elegant implementation of anyonic properties in field theories, which permits the emergence of new mechanisms for anyon superconductivity. Since it is reasonable to think that superconductivity is a low energy phenomenon, we have been interested in non-relativistic C-S systems. We present the scalar field effective potential for non-relativistic matter coupled to both Abelian and non-Abelian C-S gauge fields. We perform the calculations using functional methods in background fields. Finally, we compute the scalar effective potential in various gauges and treat divergences with various regularization schemes. In three space dimensions, a generalization of Chern-Simons theory may be achieved by introducing an antisymmetric tensor gauge field. We use these theories, called B wedge F theories, to present an alternative to the Higgs mechanism to generate masses for non-Abelian gauge fields. The initial Lagrangian is composed of a fermion with current-current and dipole-dipole type self -interactions minimally coupled to non-Abelian gauge fields. The mass generation occurs upon the fermionic functional integration. We show that by suitably adjusting the coupling constants the effective theory contains massive non-Abelian gauge fields without any residual scalars or other degrees of freedom.

Corrigendum to "The discrete dipole approximation: An overview and recent developments" [J. Quant. Spectrosc. Radiat. Transfer 106 (2007) 558-589

NASA Astrophysics Data System (ADS)

Yurkin, Maxim A.; Hoekstra, Alfons G.

2016-03-01

The review [1] is still widely used as a general reference to the discrete dipole approximation, which motivates keeping it as accurate as possible. In the following we correct several errors, mostly typographical ones, which were uncovered over the years.

Negative refraction using Raman transitions and chirality

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sikes, D. E.; Yavuz, D. D.

2011-11-15

We present a scheme that achieves negative refraction with low absorption in far-off resonant atomic systems. The scheme utilizes Raman resonances and does not require the simultaneous presence of an electric-dipole transition and a magnetic-dipole transition near the same wavelength. We show that two interfering Raman tran-sitions coupled to a magnetic-dipole transition can achieve a negative index of refraction with low absorption through magnetoelectric cross-coupling. We confirm the validity of the analytical results with exact numerical simulations of the density matrix. We also discuss possible experimental implementations of the scheme in rare-earth metal atomic systems.

Dynamical theory of single-photon transport in a one-dimensional waveguide coupled to identical and nonidentical emitters

NASA Astrophysics Data System (ADS)

Liao, Zeyang; Nha, Hyunchul; Zubairy, M. Suhail

2016-11-01

We develop a general dynamical theory for studying a single-photon transport in a one-dimensional (1D) waveguide coupled to multiple emitters which can be either identical or nonidentical. In this theory, both the effects of the waveguide and non-waveguide vacuum modes are included. This theory enables us to investigate the propagation of an emitter excitation or an arbitrary single-photon pulse along an array of emitters coupled to a 1D waveguide. The dipole-dipole interaction induced by the non-waveguide modes, which is usually neglected in the literature, can significantly modify the dynamics of the emitter system as well as the characteristics of the output field if the emitter separation is much smaller than the resonance wavelength. Nonidentical emitters can also strongly couple to each other if their energy difference is less than or of the order of the dipole-dipole energy shift. Interestingly, if their energy difference is close but nonzero, a very narrow transparency window around the resonance frequency can appear which does not occur for identical emitters. This phenomenon may find important applications in quantum waveguide devices such as optical switches and ultranarrow single-photon frequency comb generator.

Identification of the substrate radical intermediate derived from ethanolamine during catalysis by ethanolamine ammonia-lyase.

PubMed

Bender, Güneş; Poyner, Russell R; Reed, George H

2008-10-28

Rapid-mix freeze-quench (RMFQ) methods and electron paramagnetic resonance (EPR) spectroscopy have been used to characterize the steady-state radical in the deamination of ethanolamine catalyzed by adenosylcobalamin (AdoCbl)-dependent ethanolamine ammonia-lyase (EAL). EPR spectra of the radical intermediates formed with the substrates, [1-13C]ethanolamine, [2-13C]ethanolamine, and unlabeled ethanolamine were acquired using RMFQ trapping methods from 10 ms to completion of the reaction. Resolved 13C hyperfine splitting in EPR spectra of samples prepared with [1-13C]ethanolamine and the absence of such splitting in spectra of samples prepared with [2-13C]ethanolamine show that the unpaired electron is localized on C1 (the carbinol carbon) of the substrate. The 13C splitting from C1 persists from 10 ms throughout the time course of substrate turnover, and there was no evidence of a detectable amount of a product like radical having unpaired spin on C2. These results correct an earlier assignment for this radical intermediate [Warncke, K., et al. (1999) J. Am. Chem. Soc. 121, 10522-10528]. The EPR signals of the substrate radical intermediate are altered by electron spin coupling to the other paramagnetic species, cob(II)alamin, in the active site. The dipole-dipole and exchange interactions as well as the 1-13C hyperfine splitting tensor were analyzed via spectral simulations. The sign of the isotropic exchange interaction indicates a weak ferromagnetic coupling of the two unpaired electrons. A Co2+-radical distance of 8.7 A was obtained from the magnitude of the dipole-dipole interaction. The orientation of the principal axes of the 13C hyperfine splitting tensor shows that the long axis of the spin-bearing p orbital on C1 of the substrate radical makes an angle of approximately 98 degrees with the unique axis of the d(z2) orbital of Co2+.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schulze, Markus; Soreq, Yotam

Here, we consider hadronic top quark pair production and pair production in association with a photon or a Z boson to probe electroweak dipole couplings in tb¯W, tt¯γ, and tt¯Z interactions. We demonstrate how measurements of these processes at the 13 TeV LHC can be combined to disentangle and constrain anomalous dipole operators. The construction of cross section ratios allows us to significantly reduce various uncertainties and exploit orthogonal sensitivity between the tt¯γ and tt¯Z couplings. In addition, we show that angular correlations in tt¯ production can be used to constrain the remaining tb¯W dipole operator. Our approach yields excellentmore » sensitivity to the anomalous couplings and can be a further step toward precise and direct measurements of the top quark electroweak interactions.« less

Analysis of microstrip dipoles and slots transversely coupled to a microstrip line using the FDTD method

NASA Technical Reports Server (NTRS)

Tulintseff, A. N.

1993-01-01

Printed dipole elements and their complement, linear slots, are elementary radiators that have found use in low-profile antenna arrays. Low-profile antenna arrays, in addition to their small size and low weight characteristics, offer the potential advantage of low-cost, high-volume production with easy integration with active integrated circuit components. The design of such arrays requires that the radiation and impedance characteristics of the radiating elements be known. The FDTD (Finite-Difference Time-Domain) method is a general, straight-forward implementation of Maxwell's equations and offers a relatively simple way of analyzing both printed dipole and slot elements. Investigated in this work is the application of the FDTD method to the analysis of printed dipole and slot elements transversely coupled to an infinite transmission line in a multilayered configuration. Such dipole and slot elements may be used in dipole and slot series-fed-type linear arrays, where element offsets and interelement line lengths are used to obtain the desired amplitude distribution and beam direction, respectively. The design of such arrays is achieved using transmission line theory with equivalent circuit models for the radiating elements. In an equivalent circuit model, the dipole represents a shunt impedance to the transmission line, where the impedance is a function of dipole offset, length, and width. Similarly, the slot represents a series impedance to the transmission line. The FDTD method is applied to single dipole and slot elements transversely coupled to an infinite microstrip line using a fixed rectangular grid with Mur's second order absorbing boundary conditions. Frequency-dependent circuit and scattering parameters are obtained by saving desired time-domain quantities and using the Fourier transform. A Gaussian pulse excitation is applied to the microstrip transmission line, where the resulting reflected signal due to the presence of the radiating element is used to determine the equivalent element impedance.

Coulomb-stable triply charged diatomic: HeY3+

NASA Astrophysics Data System (ADS)

Wesendrup, Ralf; Pernpointner, Markus; Schwerdtfeger, Peter

1999-11-01

Accurate relativistic coupled-cluster calculations show that the triply charged species HeY3+ is a stable molecule and represents the lightest diatomic trication that does not undergo a Coulomb fragmentation into charged fragments. The diatomic potential-energy curve is approximated by an extended Morse potential, and vibrational-rotational constants for HeY3+ are predicted (Re=224.3 pm, D0=0.394 eV, ωe=437 cm-1, ωexe=15.8 cm-1, Be=0.877 cm-1). It is further shown that the He-Y3+ bond can basically be described as a charge-induced dipole interaction.

Shadowing of Virtual Photons in Nuclei at Small xBj in the QCD Dipole Picture

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.

1998-03-01

Compact and well defined formulae for the shadow of the virtual photon interacting with a large nucleus at small xBj are given in the QCD dipole picture. Two classes of contributions are considered: (a) quasi-elastic interaction of the q bar q dipole and (b) multi-pomeron coupling.

Absolute shielding scales for Al, Ga, and In and revised nuclear magnetic dipole moments of {sup 27}Al, {sup 69}Ga, {sup 71}Ga, {sup 113}In, and {sup 115}In nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antušek, A., E-mail: andrej.antusek@stuba.sk; Holka, F., E-mail: filip.holka@stuba.sk

2015-08-21

We present coupled cluster calculations of NMR shielding constants of aluminum, gallium, and indium in water-ion clusters. In addition, relativistic and dynamical corrections and the influence of the second solvation shell are evaluated. The final NMR shielding constants define new absolute shielding scales, 600.0 ± 4.1 ppm, 2044.4 ± 31.4 ppm, and 4507.7 ± 63.7 ppm for aluminum, gallium, and indium, respectively. The nuclear magnetic dipole moments for {sup 27}Al, {sup 69}Ga, {sup 71}Ga, {sup 113}In, and {sup 115}In isotopes are corrected by combining the computed shielding constants with experimental NMR frequencies. The absolute magnitude of the correction increases alongmore » the series and for indium isotopes it reaches approximately −8.0 × 10{sup −3} of the nuclear magneton.« less

Waveguide quantum electrodynamics in squeezed vacuum

NASA Astrophysics Data System (ADS)

You, Jieyu; Liao, Zeyang; Li, Sheng-Wen; Zubairy, M. Suhail

2018-02-01

We study the dynamics of a general multiemitter system coupled to the squeezed vacuum reservoir and derive a master equation for this system based on the Weisskopf-Wigner approximation. In this theory, we include the effect of positions of the squeezing sources which is usually neglected in the previous studies. We apply this theory to a quasi-one-dimensional waveguide case where the squeezing in one dimension is experimentally achievable. We show that while dipole-dipole interaction induced by ordinary vacuum depends on the emitter separation, the two-photon process due to the squeezed vacuum depends on the positions of the emitters with respect to the squeezing sources. The dephasing rate, decay rate, and the resonance fluorescence of the waveguide-QED in the squeezed vacuum are controllable by changing the positions of emitters. Furthermore, we demonstrate that the stationary maximum entangled NOON state for identical emitters can be reached with arbitrary initial state when the center-of-mass position of the emitters satisfies certain conditions.

Coupling an Ensemble of Electrons on Superfluid Helium to a Superconducting Circuit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ge; Fragner, A.; Koolstra, G.

2016-03-01

The quantized lateral motional states and the spin states of electrons trapped on the surface of superfluid helium have been proposed as basic building blocks of a scalable quantum computer. Circuit quantum electrodynamics allows strong dipole coupling between electrons and a high-Q superconducting microwave resonator, enabling such sensitive detection and manipulation of electron degrees of freedom. Here, we present the first realization of a hybrid circuit in which a large number of electrons are trapped on the surface of superfluid helium inside a coplanar waveguide resonator. The high finesse of the resonator allows us to observe large dispersive shifts thatmore » are many times the linewidth and make fast and sensitive measurements on the collective vibrational modes of the electron ensemble, as well as the superfluid helium film underneath. Furthermore, a large ensemble coupling is observed in the dispersive regime during experiment, and it shows excellent agreement with our numeric model. The coupling strength of the ensemble to the cavity is found to be approximate to 1 MHz per electron, indicating the feasibility of achieving single electron strong coupling.« less

Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups.

PubMed

Tetsassi Feugmo, Conrard Giresse; Liégeois, Vincent; Champagne, Benoît

2017-11-15

The first vibrational sum frequency generation (SFG) spectra based on molecular properties calculated at the coupled cluster singles and doubles (CCSD) level of approximation have been simulated for interfacial model alkyl chains, providing benchmark data for comparisons with approximate methods, including density functional theory (DFT). The approach proceeds in three steps. In the first two steps, the molecular spectral properties are determined: the vibrational normal modes and frequencies and then the derivatives of the dipole moment and of the polarizability with respect to the normal coordinates. These derivatives are evaluated with a numerical differentiation approach, of which the accuracy was monitored using Romberg's procedure. Then, in the last step, a three-layer model is employed to evaluate the macroscopic second-order nonlinear optical responses and thereby the simulated SFG spectra of the alkyl interface. Results emphasize the following facts: (i) the dipole and polarizability derivatives calculated at the DFT level with the B3LYP exchange-correlation functional can differ, with respect to CCSD, by as much as ±10 to 20% and ±20 to 50% for the CH 3 and CH 2 vibrations, respectively; (ii) these differences are enhanced when considering the SFG intensities as well as their variations as a function of the experimental configuration (ppp versus ssp) and as a function of the tilt and rotation angles, defining the orientation of the alkyl chain at the interface; (iii) these differences originate from both the vibrational normal coordinates and the Cartesian derivatives of the dipole moment and polarizability; (iv) freezing the successive fragments of the alkyl chain strongly modifies the SFG spectrum and enables highlighting the delocalization effects between the terminal CH 3 group and its neighboring CH 2 units; and finally (v) going from the free chain to the free methyl model, and further to C 3v constraints on leads to large variations of two ratios that are frequently used to probe the molecular orientation at the interface, the (r + r)/r + ratio for both antisymmetric and symmetric CH 3 vibrations and the I ppp /I ssp ratio.

Computer program for determining rotational line intensity factors for diatomic molecules

NASA Technical Reports Server (NTRS)

Whiting, E. E.

1973-01-01

A FORTRAN IV computer program, that provides a new research tool for determining reliable rotational line intensity factors (also known as Honl-London factors), for most electric and magnetic dipole allowed diatomic transitions, is described in detail. This users manual includes instructions for preparing the input data, a program listing, detailed flow charts, and three sample cases. The program is applicable to spin-allowed dipole transitions with either or both states intermediate between Hund's case (a) and Hund's case (b) coupling and to spin-forbidden dipole transitions with either or both states intermediate between Hund's case (c) and Hund's case (b) coupling.

Reply to “Comment on ‘Axion induced oscillating electric dipole moments’”

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, Christopher T.

A recent paper of Flambaum, Roberts and Stadnik, [1], claims there is no induced oscillating electric dipole moment (OEDM), eg, for the electron, arising from the oscillating cosmic axion background via the anomaly. This claim is based upon the assumption that electric dipoles always be defined by their coupling to static (constant in time) electric fields. The relevant Feynman diagram, as computed by [1], then becomes a total divergence, and vanishes in momentum space. However, an OEDM does arise from the anomaly, coupled to time dependent electric fields. It shares the decoupling properties with the anomaly. The full action, inmore » an arbitrary gauge, was computed in [2], [3]. It is nonvanishing with a time dependent outgoing photon, and yields physics, eg, electric dipole radiation of an electron immersed in a cosmic axion field.« less

Engineering electric and magnetic dipole coupling in arrays of dielectric nanoparticles

NASA Astrophysics Data System (ADS)

Li, Jiaqi; Verellen, Niels; Van Dorpe, Pol

2018-02-01

Dielectric nanoparticles with both strong electric and magnetic dipole (ED and MD) resonances offer unique opportunities for efficient manipulation of light-matter interactions. Here, based on numerical simulations, we show far-field diffractive coupling of the ED and MD modes in a periodic rectangular array. By using unequal periodicities in the orthogonal directions, each dipole mode is separately coupled and strongly tuned. With this method, the electric and magnetic response of the dielectric nanoparticles can be deliberately engineered to accomplish various optical functionalities. Remarkably, an ultra-sharp MD resonance with sub-10 nm linewidth is achieved with a large enhancement factor for the magnetic field intensity on the order of ˜103. Our results will find useful applications for the detection of chemical and biological molecules as well as the design of novel photonic metadevices.

High-order above-threshold ionization beyond the electric dipole approximation

NASA Astrophysics Data System (ADS)

Brennecke, Simon; Lein, Manfred

2018-05-01

Photoelectron momentum distributions from strong-field ionization are calculated by numerical solution of the one-electron time-dependent Schrödinger equation for a model atom including effects beyond the electric dipole approximation. We focus on the high-energy electrons from rescattering and analyze their momentum component along the field propagation direction. We show that the boundary of the calculated momentum distribution is deformed in accordance with the classical three-step model including the beyond-dipole Lorentz force. In addition, the momentum distribution exhibits an asymmetry in the signal strengths of electrons emitted in the forward/backward directions. Taken together, the two non-dipole effects give rise to a considerable average forward momentum component of the order of 0.1 a.u. for realistic laser parameters.

Electric dipole polarizability from first principles calculations

DOE PAGES

Miorelli, M.; Bacca, S.; Barnea, N.; ...

2016-09-19

The electric dipole polarizability quantifies the low-energy behavior of the dipole strength and is related to critical observables such as the radii of the proton and neutron distributions. Its computation is challenging because most of the dipole strength lies in the scattering continuum. In our paper we combine integral transforms with the coupled-cluster method and compute the dipole polarizability using bound-state techniques. Furthermore, employing different interactions from chiral effective field theory, we confirm the strong correlation between the dipole polarizability and the charge radius, and study its dependence on three-nucleon forces. Finally, we find good agreement with data for themore » 4He, 40Ca, and 16O nuclei, and predict the dipole polarizability for the rare nucleus 22O.« less

Constrained dipole oscillator strength distributions, sum rules, and dispersion coefficients for Br2 and BrCN

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Thakkar, Ajit J.

2017-03-01

Dipole oscillator strength distributions for Br2 and BrCN are constructed from photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule, the high-energy behavior of the dipole-oscillator-strength density and molar refractivity data when available. The distributions are used to predict dipole sum rules S (k) , mean excitation energies I (k) , and van der Waals C6 coefficients. Coupled-cluster calculations of the static dipole polarizabilities of Br2 and BrCN are reported for comparison with the values of S (- 2) extracted from the distributions.

Cavity QED analysis of an exciton-plasmon hybrid molecule via the generalized nonlocal optical response method

NASA Astrophysics Data System (ADS)

Hapuarachchi, Harini; Premaratne, Malin; Bao, Qiaoliang; Cheng, Wenlong; Gunapala, Sarath D.; Agrawal, Govind P.

2017-06-01

A metal nanoparticle coupled to a semiconductor quantum dot forms a tunable hybrid system which exhibits remarkable optical phenomena. Small metal nanoparticles possess nanocavitylike optical concentration capabilities due to the presence of strong dipolar excitation modes in the form of localized surface plasmons. Semiconductor quantum dots have strong luminescent capabilities widely used in many applications such as biosensing. When a quantum dot is kept in the vicinity of a metal nanoparticle, a dipole-dipole coupling occurs between the two nanoparticles giving rise to various optical signatures in the scattered spectra. This coupling makes the two nanoparticles behave like a single hybrid molecule. Hybrid molecules made of metal nanoparticles (MNPs) and quantum dots (QDs) under the influence of an external driving field have been extensively studied in literature, using the local response approximation (LRA). However, such previous work in this area was not adequate to explain some experimental observations such as the size-dependent resonance shift of metal nanoparticles which becomes quite significant with decreasing diameter. The nonlocal response of metallic nanostructures which is hitherto disregarded by such studies is a main reason for such nonclassical effects. The generalized nonlocal optical response (GNOR) model provides a computationally less-demanding path to incorporate such properties into the theoretical models. It allows unified theoretical explanation of observed experimental phenomena which previously seemed to require ab initio microscopic theory. In this paper, we analyze the hybrid molecule in an external driving field as an open quantum system using a cavity-QED approach. In the process, we quantum mechanically model the dipole moment operator and the dipole response field of the metal nanoparticle taking the nonlocal effects into account. We observe that the spectra resulting from the GNOR based model effectively demonstrate the experimentally observed size dependent amplitude scaling, linewidth broadening, and resonance shift phenomena compared to the respective LRA counterparts. Then, we provide a comparison between our suggested GNOR based cavity-QED model and the conventional LRA model, where it becomes evident that our analytical model provides a close match to the experimentally suggested behavior. Furthermore, we show that the Rayleigh scattering spectra of the MNP-QD hybrid molecule possess an asymmetric Fano interference pattern that is tunable to suit various applications.

Modeling super-resolution SERS using a T-matrix method to elucidate molecule-nanoparticle coupling and the origins of localization errors

NASA Astrophysics Data System (ADS)

Heaps, Charles W.; Schatz, George C.

2017-06-01

A computational method to model diffraction-limited images from super-resolution surface-enhanced Raman scattering microscopy is introduced. Despite significant experimental progress in plasmon-based super-resolution imaging, theoretical predictions of the diffraction limited images remain a challenge. The method is used to calculate localization errors and image intensities for a single spherical gold nanoparticle-molecule system. The light scattering is calculated using a modification of generalized Mie (T-matrix) theory with a point dipole source and diffraction limited images are calculated using vectorial diffraction theory. The calculation produces the multipole expansion for each emitter and the coherent superposition of all fields. Imaging the constituent fields in addition to the total field provides new insight into the strong coupling between the molecule and the nanoparticle. Regardless of whether the molecular dipole moment is oriented parallel or perpendicular to the nanoparticle surface, the anisotropic excitation distorts the center of the nanoparticle as measured by the point spread function by approximately fifty percent of the particle radius toward to the molecule. Inspection of the nanoparticle multipoles reveals that distortion arises from a weak quadrupole resonance interfering with the dipole field in the nanoparticle. When the nanoparticle-molecule fields are in-phase, the distorted nanoparticle field dominates the observed image. When out-of-phase, the nanoparticle and molecule are of comparable intensity and interference between the two emitters dominates the observed image. The method is also applied to different wavelengths and particle radii. At off-resonant wavelengths, the method predicts images closer to the molecule not because of relative intensities but because of greater distortion in the nanoparticle. The method is a promising approach to improving the understanding of plasmon-enhanced super-resolution experiments.

Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response.

PubMed

Caricato, Marco

2018-04-07

We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response

NASA Astrophysics Data System (ADS)

Caricato, Marco

2018-04-01

We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

Radial plasma drifts deduced from VLF whistler mode signals - A modelling study

NASA Astrophysics Data System (ADS)

Poulter, E. M.; Andrews, M. K.; Bailey, G. J.; Moffett, R. J.

1984-05-01

VLF whistler mode signals have previously been used to infer radial plasma drifts in the equatorial plane of the plasmasphere and the field-aligned ionosphere-protonosphere coupling fluxes. Physical models of the plasmasphere consisting of O(+) adn H(+) ions along dipole magnetic field lines, and including radial E x B drifts, are applied to a mid-latitude flux tube appropriate to whistler mode signals received at Wellington, New Zealand, from the fixed frequency VLF transmitter NLK (18.6 kHz) in Seattle, U.S.A. These models are first shown to provide a good representation of the recorded Doppler shift and group delay data. They are then used to simulate the process of deducing the drifts and fluxes from the recorded data. Provided the initial whistler mode duct latitude and the ionospheric contributions are known, the drifts at the equatorial plane can be estimated to about + or - 20 m/s (approximately 10-15 percent), and the two hemisphere ionosphere-protonosphere coupling fluxes to about + or - 10 to the 12th/sq m-sec (approximately 40 percent).

Vortex dynamics and frequency splitting in vertically coupled nanomagnets

DOE PAGES

Stebliy, M. E.; Jain, S.; Kolesnikov, A. G.; ...

2017-04-25

Here, we explored the dynamic response of a vortex core in a circular nanomagnet by manipulating its dipole-dipole interaction with another vortex core confined locally on top of the nanomagnet. A clear frequency splitting is observed corresponding to the gyrofrequencies of the two vortex cores. The peak positions of the two resonance frequencies can be engineered by controlling the magnitude and direction of the external magnetic field. Both experimental and micromagnetic simulations show that the frequency spectra for the combined system is significantly dependent on the chirality of the circular nanomagnet and is asymmetric with respect to the external biasmore » field. We attribute this result to the strong dynamic dipole-dipole interaction between the two vortex cores, which varies with the distance between them. The possibility of having multiple states in a single nanomagnet with vertical coupling could be of interest for magnetoresistive memories.« less

Spin correlations and new physics in τ -lepton decays at the LHC

DOE PAGES

Hayreter, Alper; Valencia, German

2015-07-31

We use spin correlations to constrain anomalous τ -lepton couplings at the LHC including its anomalous magnetic moment, electric dipole moment and weak dipole moments. Single spin correlations are ideal to probe interference terms between the SM and new dipole-type couplings as they are not suppressed by the τ -lepton mass. Double spin asymmetries give rise to T -odd correlations useful to probe CP violation purely within the new physics amplitudes, as their appearance from interference with the SM is suppressed by m τ. We compare our constraints to those obtained earlier on the basis of deviations from the Drell-Yanmore » cross-section.« less

Angular-momentum couplings in ultra-long-range giant dipole molecules

NASA Astrophysics Data System (ADS)

Stielow, Thomas; Scheel, Stefan; Kurz, Markus

2018-02-01

In this article we extend the theory of ultra-long-range giant dipole molecules, formed by an atom in a giant dipole state and a ground-state alkali-metal atom, by angular-momentum couplings known from recent works on Rydberg molecules. In addition to s -wave scattering, the next higher order of p -wave scattering in the Fermi pseudopotential describing the binding mechanism is considered. Furthermore, the singlet and triplet channels of the scattering interaction as well as angular-momentum couplings such as hyperfine interaction and Zeeman interactions are included. Within the framework of Born-Oppenheimer theory, potential energy surfaces are calculated in both first-order perturbation theory and exact diagonalization. Besides the known pure triplet states, mixed-spin character states are obtained, opening up a whole new landscape of molecular potentials. We determine exact binding energies and wave functions of the nuclear rotational and vibrational motion numerically from the various potential energy surfaces.

A simulation assessment of the thermodynamics of dense ion-dipole mixtures with polarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bastea, Sorin, E-mail: sbastea@llnl.gov

Molecular dynamics (MD) simulations are employed to ascertain the relative importance of various electrostatic interaction contributions, including induction interactions, to the thermodynamics of dense, hot ion-dipole mixtures. In the absence of polarization, we find that an MD-constrained free energy term accounting for the ion-dipole interactions, combined with well tested ionic and dipolar contributions, yields a simple, fairly accurate free energy form that may be a better option for describing the thermodynamics of such mixtures than the mean spherical approximation (MSA). Polarization contributions induced by the presence of permanent dipoles and ions are found to be additive to a good approximation,more » simplifying the thermodynamic modeling. We suggest simple free energy corrections that account for these two effects, based in part on standard perturbative treatments and partly on comparisons with MD simulation. Even though the proposed approximations likely need further study, they provide a first quantitative assessment of polarization contributions at high densities and temperatures and may serve as a guide for future modeling efforts.« less

Higher-order force moments of active particles

NASA Astrophysics Data System (ADS)

Nasouri, Babak; Elfring, Gwynn J.

2018-04-01

Active particles moving through fluids generate disturbance flows due to their activity. For simplicity, the induced flow field is often modeled by the leading terms in a far-field approximation of the Stokes equations, whose coefficients are the force, torque, and stresslet (zeroth- and first-order force moments) of the active particle. This level of approximation is quite useful, but may also fail to predict more complex behaviors that are observed experimentally. In this study, to provide a better approximation, we evaluate the contribution of the second-order force moments to the flow field and, by reciprocal theorem, present explicit formulas for the stresslet dipole, rotlet dipole, and potential dipole for an arbitrarily shaped active particle. As examples of this method, we derive modified Faxén laws for active spherical particles and resolve higher-order moments for active rod-like particles.

Spatial tuning of a RF frequency selective surface through origami

NASA Astrophysics Data System (ADS)

Fuchi, Kazuko; Buskohl, Philip R.; Bazzan, Giorgio; Durstock, Michael F.; Joo, James J.; Reich, Gregory W.; Vaia, Richard A.

2016-05-01

Origami devices have the ability to spatially reconfigure between 2D and 3D states through folding motions. The precise mapping of origami presents a novel method to spatially tune radio frequency (RF) devices, including adaptive antennas, sensors, reflectors, and frequency selective surfaces (FSSs). While conventional RF FSSs are designed based upon a planar distribution of conductive elements, this leaves the large design space of the out of plane dimension underutilized. We investigated this design regime through the computational study of four FSS origami tessellations with conductive dipoles. The dipole patterns showed increased resonance shift with decreased separation distances, with the separation in the direction orthogonal to the dipole orientations having a more significant effect. The coupling mechanisms between dipole neighbours were evaluated by comparing surface charge densities, which revealed the gain and loss of coupling as the dipoles moved in and out of alignment via folding. Collectively, these results provide a basis of origami FSS designs for experimental study and motivates the development of computational tools to systematically predict optimal fold patterns for targeted frequency response and directionality.

Transfer of dipolar gas through the discrete localized mode.

PubMed

Bai, Xiao-Dong; Zhang, Ai-Xia; Xue, Ju-Kui

2013-12-01

By considering the discrete nonlinear Schrödinger model with dipole-dipole interactions for dipolar condensate, the existence, the types, the stability, and the dynamics of the localized modes in a nonlinear lattice are discussed. It is found that the contact interaction and the dipole-dipole interactions play important roles in determining the existence, the type, and the stability of the localized modes. Because of the coupled effects of the contact interaction and the dipole-dipole interactions, rich localized modes and their stability nature can exist: when the contact interaction is larger and the dipole-dipole interactions is smaller, a discrete bright breather occurs. In this case, while the on-site interaction can stabilize the discrete breather, the dipole-dipole interactions will destabilize the discrete breather; when both the contact interaction and the dipole-dipole interactions are larger, a discrete kink appears. In this case, both the on-site interaction and the dipole-dipole interactions can stabilize the discrete kink, but the discrete kink is more unstable than the ordinary discrete breather. The predicted results provide a deep insight into the dynamics of blocking, filtering, and transfer of the norm in nonlinear lattices for dipolar condensates.

QCD dipole model and k T factorization

NASA Astrophysics Data System (ADS)

Bialas, A.; Navelet, H.; Peschanski, R.

2001-01-01

It is shown that the colour dipole approach to hard scattering at high energy is fully compatible with k T factorization at the leading logarithm approximation (in - logx Bj). The relations between the dipole amplitudes and unintegrated diagonal and non-diagonal gluon distributions are given. It is also shown that including the exact gluon kinematics in the k T factorization formula destroys the conservation of transverse position vectors and thus is incompatible with the dipole model for both elastic and diffractive amplitudes.

Static weak dipole moments of the τ lepton via renormalizable scalar leptoquark interactions

NASA Astrophysics Data System (ADS)

Bolaños, A.; Moyotl, A.; Tavares-Velasco, G.

2014-03-01

The weak dipole moments of elementary fermions are calculated at the one-loop level in the framework of a renormalizable scalar leptoquark model that forbids baryon number violating processes and so is free from the strong constraints arising from experimental data. In this model there are two scalar leptoquarks accommodated in a SUL(2)×UY(1) doublet: One of these leptoquarks is nonchiral and has electric charge of 5/3e, whereas the other one is chiral and has electric charge 2/3e. In particular, a nonchiral leptoquark contributes to the weak properties of an up fermion via a chirality-flipping term proportional to the mass of the virtual fermion, and can also induce a nonzero weak electric dipole moment provided that the leptoquark couplings are complex. The numerical analysis is focused on the weak properties of the τ lepton since they offer good prospects for experimental study. The constraints on leptoquark couplings are briefly discussed for a nonchiral leptoquark with nondiagonal couplings to the second and third fermion generations, a third-generation nonchiral leptoquark, and a third-generation chiral leptoquark. It is found that although the chirality-flipping term can enhance the weak properties of the τ lepton via the top quark contribution, such an enhancement would be offset by the strong constraints on the leptoquark couplings. So, the contribution of scalar leptoquarks to the weak magnetic dipole moment of the τ lepton are smaller than the standard model (SM) contributions but can be of similar size to those arising in some SM extensions. A nonchiral leptoquark can also give contributions to the weak electric dipole moment larger than the SM one but well below the experimental limit. We also discuss the case of the off-shell weak dipole moments and, for completeness, analyze the behavior of the τ electromagnetic properties.

The Crossed-Dipole Structure of Aircraft in an Electromagnetic Pulse Environment

DTIC Science & Technology

1974-09-01

The crossed-dipole receiving antenna has been used as a representative model to approximate electromagnetic pulse effects on aircraft. This paper...receiving antenna is excited by a broad spectrum electromagnetic pulse , certain important electrical resonances occur: that is, at specific single...dipole are presented which give insight into methods of analyzing aircraft in an electromagnetic pulse environment.

Polarization-selective optical resonance with extremely narrow linewidth in Si dimers array for application in ultra-sensitive refractive sensing

NASA Astrophysics Data System (ADS)

Fu, Dong; Zhang, Zuyin; Li, Jian; Wu, Haoyue; Wang, Wenbo; Wei, Xin

2017-05-01

By exploiting the radiative coupling between the electromagnetic field scattered by individual Si dimer and the collective wave diffracted (Rayleigh Anomalies) in the plane of Si dimers array, optical resonance with extremely narrow linewidth is achieved, accompanied with dramatic enhancement of electric field in the gap of the dimer. We analyze the optical properties of Si dimers array by decomposing it into three fundamental sub-systems. Theoretical investigation employing the coupled dipole approximation is complemented with numerical simulations. The result shows that polarization angle has significant influence on the orientation of the field scattered by individual Si dimer, which determines the efficiency of radiative coupling and further impacts on the electric field enhancement. Moreover, we explore the feasibility of application in refractive sensing. It is shown that the figure of merit value for the proposed system of Si dimers array is as high as 306. The Si dimers array that takes advantage of multiple coupling creates new possibility to implement field-enhanced spectroscopy and refractive sensing with ultra-high sensitivity.

Radiative rates and electron impact excitation rate coefficients for Ne-like selenium, Se XXV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, K.; Chen, C.Y., E-mail: chychen@fudan.edu.cn; Huang, M.

2011-07-15

In this article we report calculations of energy levels, radiative rates, electron impact collision strengths, and effective collision strengths for transitions among the 241 fine-structure levels arising from 2l{sup 8} and 2l{sup 7}n{sup '}l{sup '} (n{sup '{<=}}6 and l{sup '{<=}}n{sup '}-1) configurations of Ne-like Se XXV using the Flexible Atomic Code. Energy levels and radiative rates are calculated within the relativistic configuration-interaction method. Direct excitation collision strengths are calculated using the relativistic distorted-wave approximation and high-energy collision strengths are obtained in the relativistic plane-wave approximation. Resonance contributions through the relevant Na-like doubly-excited configurations 2l{sup 7}n'l'n''l'' (3{<=}n'{<=}7, l'{<=}n'-1, n'{<=}n''{<=}50, and l''{<=}8)more » are explicitly taken into account via the independent-process and isolated-resonance approximation using distorted waves. Resonant stabilizing transitions and possibly important radiative decays from the resonances toward low-lying autoionizing levels are considered. In addition, the resonance contributions from Na-like 2l{sup 6}3l'3l'''n''' (n'''=3-6) configurations are included and found to be predominant for many transitions among the singly-excited states in Ne-like Se XXV. We present the radiative rates, oscillator strengths, and line strengths for all electric dipole, magnetic dipole, electric quadrupole, magnetic quadrupole, electric octopole, and magnetic octopole transitions among the 241 levels. The effective collision strengths are reported for all 28920 transitions among the 241 levels over a wide temperature range up to 10 keV. To assess the reliability and accuracy of the present collisional data, we have performed a 27-state close-coupling calculation, employing the Dirac R-matrix theory. The results from the close-coupling calculation and the independent-process calculation for the identical target states are found to be in good agreement. - Highlights: {yields} Radiative and collisional atomic data are presented for the lowest 241 fine-structure levels in Ne-like Se. {yields} Calculations are performed using the FAC package. {yields} Resonances enhance significantly a large amount of transitions. {yields} Radiative damping effects are significant for many transitions. {yields} Close-coupling effects are small in Ne-like Se.« less

Real-Time Localization of Moving Dipole Sources for Tracking Multiple Free-Swimming Weakly Electric Fish

PubMed Central

Jun, James Jaeyoon; Longtin, André; Maler, Leonard

2013-01-01

In order to survive, animals must quickly and accurately locate prey, predators, and conspecifics using the signals they generate. The signal source location can be estimated using multiple detectors and the inverse relationship between the received signal intensity (RSI) and the distance, but difficulty of the source localization increases if there is an additional dependence on the orientation of a signal source. In such cases, the signal source could be approximated as an ideal dipole for simplification. Based on a theoretical model, the RSI can be directly predicted from a known dipole location; but estimating a dipole location from RSIs has no direct analytical solution. Here, we propose an efficient solution to the dipole localization problem by using a lookup table (LUT) to store RSIs predicted by our theoretically derived dipole model at many possible dipole positions and orientations. For a given set of RSIs measured at multiple detectors, our algorithm found a dipole location having the closest matching normalized RSIs from the LUT, and further refined the location at higher resolution. Studying the natural behavior of weakly electric fish (WEF) requires efficiently computing their location and the temporal pattern of their electric signals over extended periods. Our dipole localization method was successfully applied to track single or multiple freely swimming WEF in shallow water in real-time, as each fish could be closely approximated by an ideal current dipole in two dimensions. Our optimized search algorithm found the animal’s positions, orientations, and tail-bending angles quickly and accurately under various conditions, without the need for calibrating individual-specific parameters. Our dipole localization method is directly applicable to studying the role of active sensing during spatial navigation, or social interactions between multiple WEF. Furthermore, our method could be extended to other application areas involving dipole source localization. PMID:23805244

Coupled channel effects on resonance states of positronic alkali atom

NASA Astrophysics Data System (ADS)

Yamashita, Takuma; Kino, Yasushi

2018-01-01

S-wave Feshbach resonance states belonging to dipole series in positronic alkali atoms (e+Li, e+Na, e+K, e+Rb and e+Cs) are studied by coupled-channel calculations within a three-body model. Resonance energies and widths below a dissociation threshold of alkali-ion and positronium are calculated with a complex scaling method. Extended model potentials that provide positronic pseudo-alkali-atoms are introduced to investigate the relationship between the resonance states and dissociation thresholds based on a three-body dynamics. Resonances of the dipole series below a dissociation threshold of alkali-atom and positron would have some associations with atomic energy levels that results in longer resonance lifetimes than the prediction of the analytical law derived from the ion-dipole interaction.

Quantum factorization of 143 on a dipolar-coupling nuclear magnetic resonance system.

PubMed

Xu, Nanyang; Zhu, Jing; Lu, Dawei; Zhou, Xianyi; Peng, Xinhua; Du, Jiangfeng

2012-03-30

Quantum algorithms could be much faster than classical ones in solving the factoring problem. Adiabatic quantum computation for this is an alternative approach other than Shor's algorithm. Here we report an improved adiabatic factoring algorithm and its experimental realization to factor the number 143 on a liquid-crystal NMR quantum processor with dipole-dipole couplings. We believe this to be the largest number factored in quantum-computation realizations, which shows the practical importance of adiabatic quantum algorithms.

Microwave spectrum, structure, dipole moment, and Coriolis coupling of 1,1-difluoroallene

NASA Technical Reports Server (NTRS)

Durig, J. R.; Li, Y. S.; Tong, C. C.; Zens, A. P.; Ellis, P. D.

1974-01-01

Microwave spectra from 12.4 to 40.0 GHz were recorded for five isotopic species of 1,1-difluoroallene. A-type transitions were observed and R-branch assignments were made for the ground state and two vibrationally excited states. Several structural parameters of the compounds were determined. The dipole moment value obtained from Stark splitting was 2.07 plus or minus 0.03 D. A Coriolis coupling was observed between the two-low-frequency C = C = C bending modes.

Directional radiation of Babinet-inverted optical nanoantenna integrated with plasmonic waveguide

NASA Astrophysics Data System (ADS)

Kim, Jineun; Roh, Young-Geun; Cheon, Sangmo; Jeong Kim, Un; Hwang, Sung Woo; Park, Yeonsang; Lee, Chang-Won

2015-07-01

We present a Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide. Using an integrated nanoantenna, we can couple the plasmon guide mode in a metal-insulator-metal (MIM) structure into the resonant antenna feed directly. The resonantly excited feed slot then radiates to free space and generates a magnetic dipole-like far-field pattern. The coupling efficiency of the integrated nanoantenna is calculated as being approximately 19% using a three-dimensional finite-difference time-domain (3D FDTD) simulation. By adding an auxiliary groove structure along with the feed, the radiation direction can be controlled similar to an optical Yagi-Uda antenna. We also determine, both theoretically and experimentally, that groove depth plays a significant role to function groove structure as a reflector or a director. The demonstrated Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide can be used as a “plasmonic via” in plasmonic nanocircuits.

Directional radiation of Babinet-inverted optical nanoantenna integrated with plasmonic waveguide.

PubMed

Kim, Jineun; Roh, Young-Geun; Cheon, Sangmo; Kim, Un Jeong; Hwang, Sung Woo; Park, Yeonsang; Lee, Chang-Won

2015-07-02

We present a Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide. Using an integrated nanoantenna, we can couple the plasmon guide mode in a metal-insulator-metal (MIM) structure into the resonant antenna feed directly. The resonantly excited feed slot then radiates to free space and generates a magnetic dipole-like far-field pattern. The coupling efficiency of the integrated nanoantenna is calculated as being approximately 19% using a three-dimensional finite-difference time-domain (3D FDTD) simulation. By adding an auxiliary groove structure along with the feed, the radiation direction can be controlled similar to an optical Yagi-Uda antenna. We also determine, both theoretically and experimentally, that groove depth plays a significant role to function groove structure as a reflector or a director. The demonstrated Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide can be used as a "plasmonic via" in plasmonic nanocircuits.

Directional radiation of Babinet-inverted optical nanoantenna integrated with plasmonic waveguide

PubMed Central

Kim, Jineun; Roh, Young-Geun; Cheon, Sangmo; Jeong Kim, Un; Hwang, Sung Woo; Park, Yeonsang; Lee, Chang-Won

2015-01-01

We present a Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide. Using an integrated nanoantenna, we can couple the plasmon guide mode in a metal-insulator-metal (MIM) structure into the resonant antenna feed directly. The resonantly excited feed slot then radiates to free space and generates a magnetic dipole-like far-field pattern. The coupling efficiency of the integrated nanoantenna is calculated as being approximately 19% using a three-dimensional finite-difference time-domain (3D FDTD) simulation. By adding an auxiliary groove structure along with the feed, the radiation direction can be controlled similar to an optical Yagi-Uda antenna. We also determine, both theoretically and experimentally, that groove depth plays a significant role to function groove structure as a reflector or a director. The demonstrated Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide can be used as a “plasmonic via” in plasmonic nanocircuits. PMID:26135115

Spin-orbit coupling and electric-dipole spin resonance in a nanowire double quantum dot.

PubMed

Liu, Zhi-Hai; Li, Rui; Hu, Xuedong; You, J Q

2018-02-02

We study the electric-dipole transitions for a single electron in a double quantum dot located in a semiconductor nanowire. Enabled by spin-orbit coupling (SOC), electric-dipole spin resonance (EDSR) for such an electron can be generated via two mechanisms: the SOC-induced intradot pseudospin states mixing and the interdot spin-flipped tunneling. The EDSR frequency and strength are determined by these mechanisms together. For both mechanisms the electric-dipole transition rates are strongly dependent on the external magnetic field. Their competition can be revealed by increasing the magnetic field and/or the interdot distance for the double dot. To clarify whether the strong SOC significantly impact the electron state coherence, we also calculate relaxations from excited levels via phonon emission. We show that spin-flip relaxations can be effectively suppressed by the phonon bottleneck effect even at relatively low magnetic fields because of the very large g-factor of strong SOC materials such as InSb.

Dipole-induced exchange bias.

PubMed

Torres, Felipe; Morales, Rafael; Schuller, Ivan K; Kiwi, Miguel

2017-11-09

The discovery of dipole-induced exchange bias (EB), switching from negative to positive sign, is reported in systems where the antiferromagnet and the ferromagnet are separated by a paramagnetic spacer (AFM-PM-FM). The magnitude and sign of the EB is determined by the cooling field strength and the PM thickness. The same cooling field yields negative EB for thin spacers, and positive EB for thicker ones. The EB decay profile as a function of the spacer thickness, and the change of sign, are attributed to long-ranged dipole coupling. Our model, which accounts quantitatively for the experimental results, ignores the short range interfacial exchange interactions of the usual EB theories. Instead, it retains solely the long range dipole field that allows for the coupling of the FM and AFM across the PM spacer. The experiments allow for novel switching capabilities of long range EB systems, while the theory allows description of the structures where the FM and AFM are not in atomic contact. The results provide a new approach to design novel interacting heterostructures.

Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins

NASA Astrophysics Data System (ADS)

Egwolf, Bernhard; Tavan, Paul

2003-02-01

We present a continuum approach for efficient and accurate calculation of reaction field forces and energies in classical molecular-dynamics (MD) simulations of proteins in water. The derivation proceeds in two steps. First, we reformulate the electrostatics of an arbitrarily shaped molecular system, which contains partially charged atoms and is embedded in a dielectric continuum representing the water. A so-called fuzzy partition is used to exactly decompose the system into partial atomic volumes. The reaction field is expressed by means of dipole densities localized at the atoms. Since these densities cannot be calculated analytically for general systems, we introduce and carefully analyze a set of approximations in a second step. These approximations allow us to represent the dipole densities by simple dipoles localized at the atoms. We derive a system of linear equations for these dipoles, which can be solved numerically by iteration. After determining the two free parameters of our approximate method we check its quality by comparisons (i) with an analytical solution, which is available for a perfectly spherical system, (ii) with forces obtained from a MD simulation of a soluble protein in water, and (iii) with reaction field energies of small molecules calculated by a finite difference method.

Plasmon resonances on opto-capacitive nanostructures

NASA Astrophysics Data System (ADS)

Shahcheraghi, N.; Dowd, A.; Arnold, M. D.; Cortie, M. B.

2015-12-01

Silver is considered as one of the most desirable materials for plasmonic devices due to it having low loss, low epsilon2, across the visible spectrum. In addition, silver nanotriangles can self-assemble into complex structures that can include tip-totip or base-to-base arrangements. While the optical properties of tip-to-tip dimers of nanotriangles have been quite intensively studied, the geometric inverse, the base-to-base configuration, has received much less attention. Here we report the results of a computational study of the optical response of this latter configuration. Calculations were performed using the discrete dipole approximation. The effect of gap size and substrate are considered. The results indicate that the base-to-base configuration can sustain a strong coupled dipole and various multimode resonances. The pairing of the parallel triangle edges produces a strongly capacitive configuration and very intense electric fields over an extended volume of space. Therefore, the base-to-base configuration could be suitable for a range of plasmonic applications that require a strong and uniform concentration of electric field. Examples include refractometeric sensing or metal-enhanced fluorescence.

Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers

NASA Astrophysics Data System (ADS)

Specht, Judith F.; Verdenhalven, Eike; Bieniek, Björn; Rinke, Patrick; Knorr, Andreas; Richter, Marten

2018-04-01

The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on Förster-type nonradiative excitation transfer between the organic and inorganic layers and include quasimomentum conservation and intermolecular coupling between the molecules in the organic film. (Transition) partial charges calculated from density-functional theory are used to calculate the coupling elements. The partial charges describe the spatial charge distribution and go beyond the common dipole-dipole interaction. We find that the transfer rates are highly sensitive to variations in the geometry of the hybrid inorganic-organic system. For instance, the transfer efficiency is improved by up to 2 orders of magnitude by tuning the spatial arrangement of the molecules on the surface: Parameters of importance are the molecular packing density along the effective molecular dipole axis and the distance between the molecules and the surface. We also observe that the device performance strongly depends on the orientation of the molecular dipole moments relative to the substrate dipole moments determined by the inorganic crystal structure. Moreover, the operating regime is identified where inscattering dominates over unwanted backscattering from the molecular layer into the substrate.

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment.

PubMed

Liu, Hanchao; Wang, Yimin; Bowman, Joel M

2015-05-21

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H2O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0-4000 cm(-1) is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

NASA Astrophysics Data System (ADS)

Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

2015-05-01

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H2O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0-4000 cm-1 is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

Generalization of the Förster resonance energy transfer theory for quantum mechanical modulation of the donor-acceptor coupling

NASA Astrophysics Data System (ADS)

Jang, Seogjoo

2007-11-01

The Förster resonance energy transfer theory is generalized for inelastic situations with quantum mechanical modulation of the donor-acceptor coupling. Under the assumption that the modulations are independent of the electronic excitation of the donor and the acceptor, a general rate expression is derived, which involves two dimensional frequency-domain convolution of the donor emission line shape, the acceptor absorption line shape, and the spectral density of the modulation of the donor-acceptor coupling. For two models of modulation, detailed rate expressions are derived. The first model is the fluctuation of the donor-acceptor distance, approximated as a quantum harmonic oscillator coupled to a bath of other quantum harmonic oscillators. The distance fluctuation results in additional terms in the rate, which in the small fluctuation limit depend on the inverse eighth power of the donor-acceptor distance. The second model is the fluctuation of the torsional angle between the two transition dipoles, which is modeled as a quantum harmonic oscillator coupled to a bath of quantum harmonic oscillators and causes sinusoidal modulation of the donor-acceptor coupling. The rate expression has new elastic and inelastic terms, depending sensitively on the value of the minimum energy torsional angle. Experimental implications of the present theory and some of the open theoretical issues are discussed.

The North American winter 'dipole' and extremes activity: A CMIP5 assessment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Shih-Yu Simon; Huang, Wan -Ru; Yoon, Jin -Ho

The 2013-2014 winter in North American brought intense drought in the West and severe cold in the East. The circulation anomalies were characterized as a dipole: an amplified upper-level ridge over the West Coast and a deepened trough over the central-eastern United States. A previous study using a single model has linked the dipole to the El Nino precursor and found that this link has strengthened in recent years. Here, 17 models from the Coupled Model Intercomparison Project Phase 5 are used to examine the dipole activity. As a result, most models capture the dipole and its association with Elmore » Nino precursor and project this association to strengthen.« less

Janus and Huygens Dipoles: Near-Field Directionality Beyond Spin-Momentum Locking.

PubMed

Picardi, Michela F; Zayats, Anatoly V; Rodríguez-Fortuño, Francisco J

2018-03-16

Unidirectional scattering from circularly polarized dipoles has been demonstrated in near-field optics, where the quantum spin-Hall effect of light translates into spin-momentum locking. By considering the whole electromagnetic field, instead of its spin component alone, near-field directionality can be achieved beyond spin-momentum locking. This unveils the existence of the Janus dipole, with side-dependent topologically protected coupling to waveguides, and reveals the near-field directionality of Huygens dipoles, generalizing Kerker's condition. Circular dipoles, together with Huygens and Janus sources, form the complete set of all possible directional dipolar sources in the far- and near-field. This allows the designing of directional emission, scattering, and waveguiding, fundamental for quantum optical technology, integrated nanophotonics, and new metasurface designs.

Janus and Huygens Dipoles: Near-Field Directionality Beyond Spin-Momentum Locking

NASA Astrophysics Data System (ADS)

Picardi, Michela F.; Zayats, Anatoly V.; Rodríguez-Fortuño, Francisco J.

2018-03-01

Unidirectional scattering from circularly polarized dipoles has been demonstrated in near-field optics, where the quantum spin-Hall effect of light translates into spin-momentum locking. By considering the whole electromagnetic field, instead of its spin component alone, near-field directionality can be achieved beyond spin-momentum locking. This unveils the existence of the Janus dipole, with side-dependent topologically protected coupling to waveguides, and reveals the near-field directionality of Huygens dipoles, generalizing Kerker's condition. Circular dipoles, together with Huygens and Janus sources, form the complete set of all possible directional dipolar sources in the far- and near-field. This allows the designing of directional emission, scattering, and waveguiding, fundamental for quantum optical technology, integrated nanophotonics, and new metasurface designs.

The North American winter 'dipole' and extremes activity: A CMIP5 assessment

DOE PAGES

Wang, Shih-Yu Simon; Huang, Wan -Ru; Yoon, Jin -Ho

2015-02-13

The 2013-2014 winter in North American brought intense drought in the West and severe cold in the East. The circulation anomalies were characterized as a dipole: an amplified upper-level ridge over the West Coast and a deepened trough over the central-eastern United States. A previous study using a single model has linked the dipole to the El Nino precursor and found that this link has strengthened in recent years. Here, 17 models from the Coupled Model Intercomparison Project Phase 5 are used to examine the dipole activity. As a result, most models capture the dipole and its association with Elmore » Nino precursor and project this association to strengthen.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Junkel, G. C.; Gunderson, M. A.; Hooper, C. F.

Recently, there has been growing experimental evidence for redshifts in line spectra from highly ionized, high-Z radiators immersed in hot, dense plasmas [O. Renner , J. Quant. Spectrosc. Radiat. Transf. 58, 851 (1997); C. F. Hooper , in Strongly Coupled Coulomb Systems (Plenum, New York, 1998); N. C. Woolsey , J. Quant. Spectrosc. Radiat. Transf. 65, 573 (2000); A. Saemann , Phys. Rev. Lett. 82, 4843 (1999)]. A full Coulomb, multielectron formalism of line broadening due to perturbation by plasma electrons will be presented. A red line shift and asymmetries arise naturally from employing a full Coulomb expression for themore » perturber-radiator interaction, rather than applying the dipole approximation. This formalism can now be applied to arbitrary multielectron radiating ions.« less

Deviations from idealised geometries part 3: approximately tetrahedral molecules of form MX 2Y 2 studied by SCF and MP2 calculations

NASA Astrophysics Data System (ADS)

Palmer, Michael H.

1997-03-01

The relatively minor deviations from true tetrahedral geometry for molecules of type MX 2Y 2 where M is tetravalent, and X, Y are either H, Me or halogen are discussed, in the light of ab initio calculations of equilibrium geometry with a large (triple zeta valence + polarisation) basis, at both the SCF and MP2 levels. The results are compared with known experimental structural and dipole moment data; in most cases a very close correlation with experiment is found, with slight improvements in the MP2 data. The study is coupled with a localised orbital study of relevance to Bent's Rule.

Dipole and nondipole photoionization of molecular hydrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimmermann, B.; McKoy, V.; Southworth, S. H.

2015-05-01

We describe a theoretical approach to molecular photoionization that includes first-order corrections to the dipole approximation. The theoretical formalism is presented and applied to photoionization of H-2 over the 20-to 180-eV photon energy range. The angle-integrated cross section sigma, the electric dipole anisotropy parameter beta(e), the molecular alignment anisotropy parameter beta(m), and the first-order nondipole asymmetry parameters gamma and delta were calculated within the single-channel, static-exchange approximation. The calculated parameters are compared with previous measurements of sigma and beta(m) and the present measurements of beta(e) and gamma + 3 delta. The dipole and nondipole angular distribution parameters were determined simultaneouslymore » using an efficient, multiangle measurement technique. Good overall agreement is observed between the magnitudes and spectral variations of the calculated and measured parameters. The nondipole asymmetries of He 1s and Ne 2p photoelectrons were also measured in the course of this work.« less

Low-lying dipole resonance in neutron-rich Ne isotopes

NASA Astrophysics Data System (ADS)

Yoshida, Kenichi; van Giai, Nguyen

2008-07-01

Microscopic structure of the low-lying isovector dipole excitation mode in neutron-rich Ne26,28,30 is investigated by performing deformed quasiparticle-random-phase-approximation (QRPA) calculations. The particle-hole residual interaction is derived from a Skyrme force through a Landau-Migdal approximation. We obtain the low-lying resonance in Ne26 at around 8.6 MeV. It is found that the isovector dipole strength at Ex<10 MeV exhausts about 6.0% of the classical Thomas-Reiche-Kuhn dipole sum rule. This excitation mode is composed of several QRPA eigenmodes, one is generated by a ν(2s1/2-12p3/2) transition dominantly and the other mostly by a ν(2s1/2-12p1/2) transition. The neutron excitations take place outside of the nuclear surface reflecting the spatially extended structure of the 2s1/2 wave function. In Ne30, the deformation splitting of the giant resonance is large, and the low-lying resonance overlaps with the giant resonance.

Classical and quantum optical correlation effects between single quantum dots: The role of the hopping photon

NASA Astrophysics Data System (ADS)

Hughes, S.; Gotoh, H.; Kamada, H.

2006-09-01

We present a theoretical study of photon-coupled single quantum dots in a semiconductor. A series of optical effects are demonstrated, including a subradiant dark resonance, superradiance, reversible spontaneous emission decay, and pronounced exciton entanglement. Both classical and quantum optical approaches are presented using a self-consistent formalism that treats real and virtual photon exchange on an equal footing and can account for different quantum dot properties, surface effects, and retardation in the dipole-dipole coupling, all of which are shown to play a non-negligible role.

Cavity BPM with Dipole-Mode-Selective Coupler

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zenghai; Johnson, Ronald; Smith, Stephen R.

2006-06-21

In this paper, we present a novel position sensitive signal pickup scheme for a cavity BPM. The scheme utilizes the H-plane of the waveguide to couple magnetically to the side of the cavity, which results in a selective coupling to the dipole mode and a total rejection of the monopole mode. This scheme greatly simplifies the BPM geometry and relaxes machining tolerances. We will present detailed numerical studies on such a cavity BPM, analyze its resolution limit and tolerance requirements for a nanometer resolution. Finally present the measurement results of a X-band prototype.

On the Effect of Dipole-Dipole Interactions on the Quantum Statistics of Surface Plasmons in Multiparticle Spaser Systems

NASA Astrophysics Data System (ADS)

Shesterikov, A. V.; Gubin, M. Yu.; Karpov, S. N.; Prokhorov, A. V.

2018-04-01

The problem of controlling the quantum dynamics of localized plasmons has been considered in the model of a four-particle spaser composed of metallic nanoparticles and semiconductor quantum dots. Conditions for the observation of stable steady-state regimes of the formation of surface plasmons in this model have been determined in the mean-field approximation. It has been shown that the presence of strong dipole-dipole interactions between metallic nanoparticles of the spaser system leads to a considerable change in the quantum statistics of plasmons generated on the nanoparticles.

Can nature's design be improved upon? High strength, transparent nacre-like nanocomposites with double network of sacrificial cross links.

PubMed

Podsiadlo, Paul; Kaushik, Amit K; Shim, Bong Sup; Agarwal, Ashish; Tang, Zhiyong; Waas, Anthony M; Arruda, Ellen M; Kotov, Nicholas A

2008-11-20

The preparation of a high-strength and highly transparent nacre-like nanocomposite via layer-by-layer assembly technique from poly(vinyl alcohol) (PVA) and Na+-montmorillonite clay nanosheets is reported in this article. We show that a high density of weak bonding interactions between the polymer and the clay particles: hydrogen, dipole-induced dipole, and van der Waals undergoing break-reform deformations, can lead to high strength nanocomposites: sigmaUTS approximately 150 MPa and E' approximately 13 GPa. Further introduction of ionic bonds into the polymeric matrix creates a double network of sacrificial bonds which dramatically increases the mechanical properties: sigmaUTS approximately 320 MPa and E' approximately 60 GPa.

Quadrupole radiation from terahertz dipole antennas.

PubMed

Rudd, J V; Johnson, J L; Mittleman, D M

2000-10-15

We report what is to our knowledge the first detailed investigation of the polarization state of radiation from lens-coupled terahertz dipole antennas. The radiation exhibits a weak but measurable component that is polarized orthogonally to the orientation of the emitter dipole. The angular radiation pattern of this cross-polarized emission reveals that it is quadrupolar, rather than dipolar, in nature. One can understand this result by taking into account the photocurrent flowing in the strip lines that feed the dipole antenna. A Fresnel-Kirchhoff scalar diffraction calculation is used for calculating the frequency-dependent angular distribution of the radiation pattern, providing satisfactory agreement with the measurements.

Dipolar ordering and glassy freezing in methanol-{beta}-hydroquinone-clathrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Woll, H.; Rheinstadter, M. C.; Kruchten, F.

2001-06-01

The dielectric, structural, and thermodynamic properties of single crystals of methanol-{beta}-hydroquinone-clathrates have been studied as function of temperature and of the concentration x of the polar guest molecules. At higher temperatures the dielectric response along the threefold crystal axis is of the quasi-one-dimensional Ising type. At lower temperatures the higher concentrated samples order antiferroelectrically whereas the lower concentrated ones freeze into dipole glasses. The behavior is interpreted in terms of the methanol dipole moments coupled by the electric dipole-dipole interaction which is highly frustrated because of the rhombohedral symmetry of the lattice. The dielectric relaxations have been analyzed.

Observation of isoscalar and isovector dipole excitations in neutron-rich 20O

NASA Astrophysics Data System (ADS)

Nakatsuka, N.; Baba, H.; Aumann, T.; Avigo, R.; Banerjee, S. R.; Bracco, A.; Caesar, C.; Camera, F.; Ceruti, S.; Chen, S.; Derya, V.; Doornenbal, P.; Giaz, A.; Horvat, A.; Ieki, K.; Inakura, T.; Imai, N.; Kawabata, T.; Kobayashi, N.; Kondo, Y.; Koyama, S.; Kurata-Nishimura, M.; Masuoka, S.; Matsushita, M.; Michimasa, S.; Million, B.; Motobayashi, T.; Murakami, T.; Nakamura, T.; Ohnishi, T.; Ong, H. J.; Ota, S.; Otsu, H.; Ozaki, T.; Saito, A.; Sakurai, H.; Scheit, H.; Schindler, F.; Schrock, P.; Shiga, Y.; Shikata, M.; Shimoura, S.; Steppenbeck, D.; Sumikama, T.; Syndikus, I.; Takeda, H.; Takeuchi, S.; Tamii, A.; Taniuchi, R.; Togano, Y.; Tscheuschner, J.; Tsubota, J.; Wang, H.; Wieland, O.; Wimmer, K.; Yamaguchi, Y.; Yoneda, K.; Zenihiro, J.

2017-05-01

The isospin characters of low-energy dipole excitations in neutron-rich unstable nucleus 20O were investigated, for the first time in unstable nuclei. Two spectra obtained from a dominant isovector probe (20O + Au) and a dominant isoscalar probe (20O + α) were compared and analyzed by the distorted-wave Born approximation to extract independently the isovector and isoscalar dipole strengths. Two known 1- states with large isovector dipole strengths at energies of 5.36(5) MeV (11-) and 6.84(7) MeV (12-) were also excited by the isoscalar probe. These two states were found to have different isoscalar dipole strengths, 2.70(32)% (11-) and 0.67(12)% (12-), respectively, in exhaustion of the isoscalar dipole-energy-weighted sum rule. The difference in isoscalar strength indicated that they have different underlying structures.

Incipient ferroelectricity of water molecules confined to nano-channels of beryl

NASA Astrophysics Data System (ADS)

Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokleška, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.; Prokhorov, A. S.; Gorelik, V. S.; Kadyrov, L. S.; Uskov, V. V.; Kremer, R. K.; Dressel, M.

2016-09-01

Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole-dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole-dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie-Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices.

Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems

NASA Astrophysics Data System (ADS)

Chang, Zhiwei; Halle, Bertil

2017-08-01

In aqueous systems with immobilized macromolecules, including biological tissues, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have previously developed a rigorous EMOR relaxation theory for dipole-coupled two-spin and three-spin systems. Here, we extend the stochastic Liouville theory to four-spin systems and use these exact results as a guide for constructing an approximate multi-spin theory, valid for spin systems of arbitrary size. This so-called generalized stochastic Redfield equation (GSRE) theory includes the effects of longitudinal-transverse cross-mode relaxation, which gives rise to an inverted step in the relaxation dispersion profile, and coherent spin mode transfer among solid-like spins, which may be regarded as generalized spin diffusion. The GSRE theory is compared to an existing theory, based on the extended Solomon equations, which does not incorporate these phenomena. Relaxation dispersion profiles are computed from the GSRE theory for systems of up to 16 protons, taken from protein crystal structures. These profiles span the range from the motional narrowing limit, where the coherent mode transfer plays a major role, to the ultra-slow motion limit, where the zero-field rate is closely related to the strong-collision limit of the dipolar relaxation rate. Although a quantitative analysis of experimental data is beyond the scope of this work, it is clear from the magnitude of the predicted relaxation rate and the shape of the relaxation dispersion profile that the dipolar EMOR mechanism is the principal cause of water-1H low-field longitudinal relaxation in aqueous systems of immobilized macromolecules, including soft biological tissues. The relaxation theory developed here therefore provides a basis for molecular-level interpretation of endogenous soft-tissue image contrast obtained by the emerging low-field magnetic resonance imaging techniques.

A plane wave model for direct simulation of reflection and transmission by discretely inhomogeneous plane parallel media

NASA Astrophysics Data System (ADS)

Mackowski, Daniel; Ramezanpour, Bahareh

2018-07-01

A formulation is developed for numerically solving the frequency domain Maxwell's equations in plane parallel layers of inhomogeneous media. As was done in a recent work [1], the plane parallel layer is modeled as an infinite square lattice of W × W × H unit cells, with W being a sample width of the layer and H the layer thickness. As opposed to the 3D volume integral/discrete dipole formulation, the derivation begins with a Fourier expansion of the electric field amplitude in the lateral plane, and leads to a coupled system of 1D ordinary differential equations in the depth direction of the layer. A 1D dyadic Green's function is derived for this system and used to construct a set of coupled 1D integral equations for the field expansion coefficients. The resulting mathematical formulation is considerably simpler and more compact than that derived, for the same system, using the discrete dipole approximation applied to the periodic plane lattice. Furthermore, the fundamental property variable appearing in the formulation is the Fourier transformed complex permittivity distribution in the unit cell, and the method obviates any need to define or calculate a dipole polarizability. Although designed primarily for random media calculations, the method is also capable of predicting the single scattering properties of individual particles; comparisons are presented to demonstrate that the method can accurately reproduce, at scattering angles not too close to 90°, the polarimetric scattering properties of single and multiple spheres. The derivation of the dyadic Green's function allows for an analytical preconditioning of the equations, and it is shown that this can result in significantly accelerated solution times when applied to densely-packed systems of particles. Calculation results demonstrate that the method, when applied to inhomogeneous media, can predict coherent backscattering and polarization opposition effects.

Calculation of the atomic electric dipole moment of Pb2+ induced by nuclear Schiff moment

NASA Astrophysics Data System (ADS)

Ramachandran, S. M.; Latha, K. V. P.; Meenakshisundaram, N.

2017-07-01

We report the atomic electric dipole moment induced by the P, T violating interactions in the nuclear/sub-nuclear level, for 207Pb2+ and 207Pb, owing to the recent interest in the ferroelectric crystal PbTiO3 as one of the candidates for investigating macroscopic P, T-odd effects. In this paper, we calculate the atomic electric dipole moments of 207Pb and Pb2+, parametrized in terms of the P, T-odd coupling parameter, the nuclear Schiff moment (NSM), S, in the frame-work of the coupled-perturbed Hartree-Fock theory. We estimate the Schiff moment of Pb2+ using the experimental result of a system, which is electronically similar to the Pb2+ ion. We present the dominant contributions of the electric dipole moment (EDM) matrix elements and the important correlation effects contributing to the atomic EDM of Pb2+. Our results provide the first ever calculated EDM of the Pb2+ ion, and an estimate of its NSM from which the P, T-odd energy shift in a PbTiO3 crystal can be evaluated.

Non-equilibrium dynamics of artificial quantum matter

NASA Astrophysics Data System (ADS)

Babadi, Mehrtash

The rapid progress of the field of ultracold atoms during the past two decades has set new milestones in our control over matter. By cooling dilute atomic gases and molecules to nano-Kelvin temperatures, novel quantum mechanical states of matter can be realized and studied on a table-top experimental setup while bulk matter can be tailored to faithfully simulate abstract theoretical models. Two of such models which have witnessed significant experimental and theoretical attention are (1) the two-component Fermi gas with resonant s-wave interactions, and (2) the single-component Fermi gas with dipole-dipole interactions. This thesis is devoted to studying the non-equilibrium collective dynamics of these systems using the general framework of quantum kinetic theory. We present a concise review of the utilized mathematical methods in the first two chapters, including the Schwinger-Keldysh formalism of non-equilibrium quantum fields, two-particle irreducible (2PI) effective actions and the framework of quantum kinetic theory. We study the collective dynamics of the dipolar Fermi gas in a quasi-two-dimensional optical trap in chapter 3 and provide a detailed account of its dynamical crossover from the collisionless to the hydrodynamical regime. Chapter 4 is devoted to studying the dynamics of the attractive Fermi gas in the normal phase. Starting from the self-consistent T-matrix (pairing fluctuation) approximation, we systematically derive a set of quantum kinetic equations and show that they provide a globally valid description of the dynamics of the attractive Fermi gas, ranging from the weak-coupling Fermi liquid phase to the intermediate non-Fermi liquid pairing pseudogap regime and finally the strong-coupling Bose liquid phase. The shortcomings of the self-consistent T-matrix approximation in two spatial dimensions are discussed along with a proposal to overcome its unphysical behaviors. The developed kinetic formalism is finally utilized to reproduce and interpret the findings of a recent experiment done on the collective dynamics of trapped two-dimensional ultracold gases.

Theory and modelling of light-matter interactions in photonic crystal cavity systems coupled to quantum dot ensembles

NASA Astrophysics Data System (ADS)

Cartar, William K.

Photonic crystal microcavity quantum dot lasers show promise as high quality-factor, low threshold lasers, that can be integrated on-chip, with tunable room temperature opera- tions. However, such semiconductor microcavity lasers are notoriously difficult to model in a self-consistent way and are primarily modelled by simplified rate equation approxima- tions, typically fit to experimental data, which limits investigations of their optimization and fundamental light-matter interaction processes. Moreover, simple cavity mode optical theory and rate equations have recently been shown to fail in explaining lasing threshold trends in triangular lattice photonic crystal cavities as a function of cavity size, and the potential impact of fabrication disorder is not well understood. In this thesis, we develop a simple but powerful numerical scheme for modelling the quantum dot active layer used for lasing in these photonic crystal cavity structures, as an ensemble of randomly posi- tioned artificial two-level atoms. Each two-level atom is defined by optical Bloch equations solved by a quantum master equation that includes phenomenological pure dephasing and an incoherent pump rate that effectively models a multi-level gain system. Light-matter in- teractions of both passive and lasing structures are analyzed using simulation defined tools and post-simulation Green function techniques. We implement an active layer ensemble of up to 24,000 statistically unique quantum dots in photonic crystal cavity simulations, using a self-consistent finite-difference time-domain method. This method has the distinct advantage of capturing effects such as dipole-dipole coupling and radiative decay, without the need for any phenomenological terms, since the time-domain solution self-consistently captures these effects. Our analysis demonstrates a powerful ability to connect with recent experimental trends, while remaining completely general in its set-up; for example, we do not invoke common approximations such as the rotating-wave or slowly-varying envelope approximations, and solve dynamics with zero a priori knowledge.

Strong coupling-like phenomenon in single metallic nanoparticle embedded in molecular J-aggregates

NASA Astrophysics Data System (ADS)

Feng, Xin; Wang, Chen; Ma, Hongjing; Chen, Yuanyuan; Duan, Gaoyan; Zhang, Pengfei; Song, Gang

2018-02-01

Strong coupling-like phenomenon between plasmonic cavities and emitters provides a new way to realize the quantum-like effect controlling at microscale/nanoscale. We investigate the strong coupling-like phenomenon in the structure of single metallic nanoparticle embedded in molecular J-aggregates by the classical simulation method and show that the size of the metallic nanoparticle and the oscillator strength of molecular J-aggregates impact the strong coupling-like phenomenon. The strong coupling-like phenomenon is induced by the interactions between two dipoles formed by the metallic nanoparticle and molecular J-aggregates or the interactions between the dipole generated from molecular J-aggregates and the quadrupole generated from the metallic nanoparticle. The strong coupling-like phenomenon appears evidently with the increase in oscillator strength of molecular J-aggregates. The detuning energy linearly decreases with the increase in radius of the metallic nanoparticle. Our structure has potential applications in quantum networks, quantum key distributions and so on.

Self-organization of atoms coupled to a chiral reservoir

NASA Astrophysics Data System (ADS)

Eldredge, Zachary; Solano, Pablo; Chang, Darrick; Gorshkov, Alexey V.

2016-11-01

Tightly confined modes of light, as in optical nanofibers or photonic crystal waveguides, can lead to large optical coupling in atomic systems, which mediates long-range interactions between atoms. These one-dimensional systems can naturally possess couplings that are asymmetric between modes propagating in different directions. Strong long-range interaction among atoms via these modes can drive them to a self-organized periodic distribution. In this paper, we examine the self-organizing behavior of atoms in one dimension coupled to a chiral reservoir. We determine the solution to the equations of motion in different parameter regimes, relative to both the detuning of the pump laser that initializes the atomic dipole-dipole interactions and the degree of reservoir chirality. In addition, we calculate possible experimental signatures such as reflectivity from self-organized atoms and motional sidebands.

Excitation spectrum for an inhomogeneously dipole-field-coupled superconducting qubit chain

NASA Astrophysics Data System (ADS)

Ian, Hou; Liu, Yu-xi; Nori, Franco

2012-05-01

When a chain of N superconducting qubits couples to a coplanar resonator, each of the qubits experiences a different dipole-field coupling strength due to the wave form of the cavity field. We find that this inhomogeneous coupling leads to a dependence of the collective ladder operators of the qubit chain on the qubit-interspacing l. Varying the spacing l changes the transition amplitudes between the angular momentum levels. We derive an exact diagonalization of the general N-qubit Hamiltonian and, through the N=4 case, demonstrate how the l-dependent operators lead to a denser one-excitation spectrum and a probability redistribution of the eigenstates. Moreover, we show that the variation of l between its two limiting values coincides with the crossover between Frenkel- and Wannier-type excitons in the superconducting qubit chain.

Ab initio theoretical study of dipole-bound anions of molecular complexes: (HF)3- and (HF)4- anions

NASA Astrophysics Data System (ADS)

Ramaekers, Riet; Smith, Dayle M. A.; Smets, Johan; Adamowicz, Ludwik

1997-12-01

Ab initio calculations have been performed to determine structures and vertical electron detachment energy (VDE) of the hydrogen fluoride trimer and tetramer anions, (HF)3- and (HF)4-. In these systems the excess electron is bound by the dipole field of the complex. It was determined that, unlike the neutral complexes which prefer the cyclic structures, the equilibrium geometries of the anions have "zig-zag" shapes. For both complexes the predicted VDEs are positive [210 meV and 363 meV for (HF)3- and (HF)4-, respectively], indicating that the anions are stable systems with respect to the vertical electron detachment. These results were obtained at the coupled-cluster level of theory with single, double and triple excitations [CCSD(T) method; the triple-excitation contribution in this method is calculated approximately using the perturbation approach] with the anion geometries obtained using the second-order Møller-Plesset perturbation theory (MP2) method. The same approach was also used to determine the adiabatic electron affinities (AEA) of (HF)3 and (HF)4. In addition to the electronic contribution, we also calculated the contributions (using the harmonic approximation) resulting from different zero-point vibration energies of the neutral and anionic clusters. The calculations predicted that while the AEA of (HF)3 is positive (44 meV), the AEA for (HF)4 is marginally negative (-16 meV). This suggests that the (HF)3- anion should be a stable system, while the (HF)4- is probably metastable.

High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrum

NASA Astrophysics Data System (ADS)

Qu, Chen; Bowman, Joel M.

2018-06-01

We present high-level, coupled-mode calculations of the infrared spectrum of the cyclic formic acid dimer. The calculations make use of full-dimensional, ab initio potential energy and dipole moment surfaces. The potential is a linear least-squares fit to 13 475 CCSD(T)-F12a/haTZ (haTZ means aug-cc-pVTZ basis set for O and C, and cc-pVTZ for H) energies, and the dipole moment surface is a fit to the dipole components, calculated at the MP2/haTZ level of theory. The variables of both fits are all (45) internuclear distances (actually Morse variables). The potential, which is fully permutationally invariant, is the one published recently and the dipole moment surface is newly reported here. Details of the fits, especially the dipole moment, and the database of configurations are given. The infrared spectrum of the dimer is calculated by solving the nuclear Schrödinger equation using a vibrational self-consistent field and virtual-state configuration interaction method, with subsets of the 24 normal modes, up to 15 modes. The calculations indicate strong mode-coupling in the C—H and O—H stretching region of the spectrum. Comparisons are made with experiments and the complexity of the experimental spectrum in the C—H and O—H stretching region is successfully reproduced.

Coherent and incoherent dipole-dipole interactions between atoms

NASA Astrophysics Data System (ADS)

Robicheaux, Francis

2016-05-01

Results will be presented on the collective interaction between atoms due to the electric dipole-dipole coupling between states of different parity on two different atoms. A canonical example of this effect is when the electronic state of one atom has S-character and the state of another atom has P-character. The energy difference between the two states plays an important role in the interaction since the change in energy determines the wave number of a photon that would cause a transition between the states. If the atoms are much closer than the wave length of this photon, then the dipole-dipole interaction is in the near field and has a 1 /r3 dependence on atomic separation. If the atoms are farther apart than the wave length, then the interaction is in the far field and has a 1 / r dependence. When many atoms interact, collective effects can dominate the system with the character of the collective effect depending on whether the atomic separation leads to near field or far field coupling. As an example of the case where the atoms are in the far field, the line broadening of transitions and strong deviations from the Beer-Lambert law in a diffuse gas will be presented. As an example of near field collective behavior, the radiative properties of a Rydberg gas will be presented. Based upon work supported by the National Science Foundation under Grant No. 1404419-PHY in collaboration with R.T. Sutherland.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

NASA Astrophysics Data System (ADS)

Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

2016-08-01

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ˜100 meV even in the "half-vertical cavity surface emitting lasing" microcavity structure.

QRPA plus phonon coupling model and the photoabsorption cross section for 18,20,22O

NASA Astrophysics Data System (ADS)

Colò, G.; Bortignon, P. F.

2001-12-01

We have calculated the electric dipole strength distributions in the unstable neutron-rich oxygen isotopes 18,20,22O, in a model which include up to four quasiparticle-type configurations. The model is the extension, to include the effect of the pairing correlations, of a previous model very successful around closed shell nuclei, and it is based on the quasiparticle-phonon coupling. Low-lying dipole strength is found, which exhausts between 5 and 10% of the Thomas-Reiche-Kuhn (TRK) energy-weighted sum rule (EWSR) below 15 MeV excitation energy, in rather good agreement with recent experimental data. The role of the phonon coupling is shown to be crucial in order to obtain this result.

An Exact Form of Lilley's Equation with a Velocity Quadrupole/Temperature Dipole Source Term

NASA Technical Reports Server (NTRS)

Goldstein, Marvin E.

2001-01-01

There have been several attempts to introduce approximations into the exact form of Lilley's equation in order to express the source term as the sum of a quadrupole whose strength is quadratic in the fluctuating velocities and a dipole whose strength is proportional to the temperature fluctuations. The purpose of this note is to show that it is possible to choose the dependent (i.e., the pressure) variable so that this type of result can be derived directly from the Euler equations without introducing any additional approximations.

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

2015-05-21

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H{sub 2}O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previousmore » spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm{sup −1} is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.« less

Force on an electric/magnetic dipole and classical approach to spin-orbit coupling in hydrogen-like atoms

NASA Astrophysics Data System (ADS)

Kholmetskii, A. L.; Missevitch, O. V.; Yarman, T.

2017-09-01

We carry out the classical analysis of spin-orbit coupling in hydrogen-like atoms, using the modern expressions for the force and energy of an electric/magnetic dipole in an electromagnetic field. We disclose a novel physical meaning of this effect and show that for a laboratory observer the energy of spin-orbit interaction is represented solely by the mechanical energy of the spinning electron (considered as a gyroscope) due to the Thomas precession of its spin. Concurrently we disclose some errors in the old and new publications on this subject.

Theoretical and observational analysis of spacecraft fields

NASA Technical Reports Server (NTRS)

Neubauer, F. M.; Schatten, K. H.

1972-01-01

In order to investigate the nondipolar contributions of spacecraft magnetic fields a simple magnetic field model is proposed. This model consists of randomly oriented dipoles in a given volume. Two sets of formulas are presented which give the rms-multipole field components, for isotropic orientations of the dipoles at given positions and for isotropic orientations of the dipoles distributed uniformly throughout a cube or sphere. The statistical results for an 8 cu m cube together with individual examples computed numerically show the following features: Beyond about 2 to 3 m distance from the center of the cube, the field is dominated by an equivalent dipole. The magnitude of the magnetic moment of the dipolar part is approximated by an expression for equal magnetic moments or generally by the Pythagorean sum of the dipole moments. The radial component is generally greater than either of the transverse components for the dipole portion as well as for the nondipolar field contributions.

QCD triple Pomeron coupling from string amplitudes

NASA Astrophysics Data System (ADS)

Bialas, A.; Navelet, H.; Peschanski, R.

1998-06-01

Using the recent solution of the triple Pomeron coupling in the QCD dipole picture as a closed string amplitude with six legs, its analytical form in terms of hypergeometric functions and numerical value are derived.

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the 199Hg Atom

NASA Astrophysics Data System (ADS)

Sahoo, B. K.; Das, B. P.

2018-05-01

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P ,T -odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P ,T -odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to 199Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the ^{199}Hg Atom.

PubMed

Sahoo, B K; Das, B P

2018-05-18

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P,T-odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to ^{199}Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Decay dynamics in the coupled-dipole model

NASA Astrophysics Data System (ADS)

Araújo, M. O.; Guerin, W.; Kaiser, R.

2018-06-01

Cooperative scattering in cold atoms has gained renewed interest, in particular in the context of single-photon superradiance, with the recent experimental observation of super- and subradiance in dilute atomic clouds. Numerical simulations to support experimental signatures of cooperative scattering are often limited by the number of dipoles which can be treated, well below the number of atoms in the experiments. In this paper, we provide systematic numerical studies aimed at matching the regime of dilute atomic clouds. We use a scalar coupled-dipole model in the low excitation limit and an exclusion volume to avoid density-related effects. Scaling laws for super- and subradiance are obtained and the limits of numerical studies are pointed out. We also illustrate the cooperative nature of light scattering by considering an incident laser field, where half of the beam has a ? phase shift. The enhanced subradiance obtained under such condition provides an additional signature of the role of coherence in the detected signal.

Cooling without contact in bilayer dipolar Fermi gases

NASA Astrophysics Data System (ADS)

Tanatar, Bilal; Renklioglu, Basak; Oktel, M. Ozgur

2016-05-01

We consider two parallel layers of dipolar ultracold Fermi gases at different temperatures and calculate the heat transfer between them. The effective interactions describing screening and correlation effects between the dipoles in a single layer are modelled within the Euler-Lagrange Fermi-hypernetted chain approximation. The random-phase approximation is employed for the interactions across the layers. We investigate the amount of transferred power between the layers as a function of the temperature difference. Energy transfer proceeds via the long-range dipole-dipole interactions. A simple thermal model is developed to investigate the feasibility of using the contactless sympathetic cooling of the ultracold polar atoms/molecules. Our calculations indicate that dipolar heat transfer is effective for typical polar molecule experiments and may be utilized as a cooling process. Supported by TUBA and TUBITAK (112T974).

Detection, localization and classification of multiple dipole-like magnetic sources using magnetic gradient tensor data

NASA Astrophysics Data System (ADS)

Gang, Yin; Yingtang, Zhang; Hongbo, Fan; Zhining, Li; Guoquan, Ren

2016-05-01

We have developed a method for automatic detection, localization and classification (DLC) of multiple dipole sources using magnetic gradient tensor data. First, we define modified tilt angles to estimate the approximate horizontal locations of the multiple dipole-like magnetic sources simultaneously and detect the number of magnetic sources using a fixed threshold. Secondly, based on the isotropy of the normalized source strength (NSS) response of a dipole, we obtain accurate horizontal locations of the dipoles. Then the vertical locations are calculated using magnitude magnetic transforms of magnetic gradient tensor data. Finally, we invert for the magnetic moments of the sources using the measured magnetic gradient tensor data and forward model. Synthetic and field data sets demonstrate effectiveness and practicality of the proposed method.

Calculation of (P,T) -odd electric dipole moments for the diamagnetic atoms X129e , Y171b , H199g , R211n , and R225a

NASA Astrophysics Data System (ADS)

Dzuba, V. A.; Flambaum, V. V.; Porsev, S. G.

2009-09-01

Electric dipole moments of diamagnetic atoms of experimental interest are calculated using the relativistic Hartree-Fock and random-phase approximation methods, the many-body perturbation theory, and the configuration-interaction technique. We consider (P,T) -odd interactions, which give rise to atomic electric dipole moment in the second order of the perturbation theory. These include nuclear Schiff moment, (P,T) -odd electron-nucleon interaction, and electron electric dipole moment. Interpretation of an experimental constraint of a permanent electric dipole moment of H199g [W. C. Griffith, M. D. Swallows, T. H. Loftus, M. V. Romalis, B. R. Heckel, and E. N. Fortson, Phys. Rev. Lett. 102, 101601 (2009)] is discussed.

Magic tilt angle for stabilizing two-dimensional solitons by dipole-dipole interactions

NASA Astrophysics Data System (ADS)

Chen, Xing-You; Chuang, You-Lin; Lin, Chun-Yan; Wu, Chien-Ming; Li, Yongyao; Malomed, Boris A.; Lee, Ray-Kuang

2017-10-01

In the framework of the Gross-Pitaevskii equation, we study the formation and stability of effectively two-dimensional solitons in dipolar Bose-Einstein condensates (BECs), with dipole moments polarized at an arbitrary angle θ relative to the direction normal to the system's plane. Using numerical methods and the variational approximation, we demonstrate that unstable Townes solitons, created by the contact attractive interaction, may be completely stabilized (with an anisotropic shape) by the dipole-dipole interaction (DDI), in the interval θcr<θ ≤π /2 . The stability boundary θcr weakly depends on the relative strength of the DDI, remaining close to the magic angle θm=arccos(1 /√{3 }) . The results suggest that DDIs provide a generic mechanism for the creation of stable BEC solitons in higher dimensions.

Optical electric field sensor sensitivity direction rerouting and enhancement using a passive integrated dipole antenna.

PubMed

Seng, Frederick; Yang, Zhenchao; King, Rex; Shumway, LeGrand; Stan, Nikola; Hammond, Alec; Warnick, Karl F; Schultz, Stephen

2017-06-10

This work introduces a passive dipole antenna integrated into the packaging of a slab-coupled optical sensor to enhance the directional sensitivity of electro-optic electric field measurements parallel to the fiber axis. Using the passive integrated dipole antenna described in this work, a sensor that can typically only sense fields transverse to the fiber direction is able to sense a 1.25 kV/m field along the fiber direction with a gain of 17.5. This is verified through simulation and experiment.

Non-linear non-local molecular electrodynamics with nano-optical fields.

PubMed

Chernyak, Vladimir Y; Saurabh, Prasoon; Mukamel, Shaul

2015-10-28

The interaction of optical fields sculpted on the nano-scale with matter may not be described by the dipole approximation since the fields may vary appreciably across the molecular length scale. Rather than incrementally adding higher multipoles, it is advantageous and more physically transparent to describe the optical process using non-local response functions that intrinsically include all multipoles. We present a semi-classical approach for calculating non-local response functions based on the minimal coupling Hamiltonian. The first, second, and third order response functions are expressed in terms of correlation functions of the charge and the current densities. This approach is based on the gauge invariant current rather than the polarization, and on the vector potential rather than the electric and magnetic fields.

Size dependence of single-photon superradiance of cold and dilute atomic ensembles

NASA Astrophysics Data System (ADS)

Kuraptsev, A. S.; Sokolov, I. M.

2017-11-01

We report a theoretical investigation of angular distribution of a single-photon superradiance from cold and dilute atomic clouds. In the present work we focus our attention on the dependence of superradiance on the size and shape of the cloud. We analyze the dynamics of the afterglow of atomic ensemble excited by pulse radiation. Two theoretical approaches are used. The first is the quantum microscopic approach based on a coupled-dipole model. The second approach is random walk approximation. We show that the results obtained in both approaches coincide with a good accuracy for incoherent fluorescence excited by short resonant pulses. We also show that the superradiance decay rate changes with size differently for radiation emitted into different directions.

Bias effects on the electronic spectrum of a molecular bridge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phillips, Heidi; Prociuk, Alexander; Dunietz, Barry D

2011-01-01

In this paper the effect of bias and geometric symmetry breaking on the electronic spectrum of a model molecular system is studied. Geometric symmetry breaking can either enhance the dissipative effect of the bias, where spectral peaks are disabled, or enable new excitations that are absent under zero bias conditions. The spectralanalysis is performed on a simple model system by solving for the electronic response to an instantaneously impulsive perturbation in the dipole approximation. The dynamical response is extracted from the electronic equations of motion as expressed by the Keldysh formalism. This expression provides for the accurate treatment of themore » electronic structure of a bulk-coupled system at the chosen model Hamiltonian electronic structure level.« less

Ultrafast Terahertz Nonlinear Optics of Landau Level Transitions in a Monolayer Graphene

NASA Astrophysics Data System (ADS)

Yumoto, Go; Matsunaga, Ryusuke; Hibino, Hiroki; Shimano, Ryo

2018-03-01

We investigated the ultrafast terahertz (THz) nonlinearity in a monolayer graphene under the strong magnetic field using THz pump-THz probe spectroscopy. An ultrafast suppression of the Faraday rotation associated with inter-Landau level (LL) transitions is observed, reflecting the Dirac electron character of nonequidistant LLs with large transition dipole moments. A drastic modulation of electron distribution in LLs is induced by far off-resonant THz pulse excitation in the transparent region. Numerical simulation based on the density matrix formalism without rotating-wave approximation reproduces the experimental results. Our results indicate that the strong light-matter coupling regime is realized in graphene, with the Rabi frequency exceeding the carrier wave frequency and even the relevant energy scale of the inter-LL transition.

Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution

NASA Astrophysics Data System (ADS)

Egwolf, Bernhard; Tavan, Paul

2004-01-01

We extend our continuum description of solvent dielectrics in molecular-dynamics (MD) simulations [B. Egwolf and P. Tavan, J. Chem. Phys. 118, 2039 (2003)], which has provided an efficient and accurate solution of the Poisson equation, to ionic solvents as described by the linearized Poisson-Boltzmann (LPB) equation. We start with the formulation of a general theory for the electrostatics of an arbitrarily shaped molecular system, which consists of partially charged atoms and is embedded in a LPB continuum. This theory represents the reaction field induced by the continuum in terms of charge and dipole densities localized within the molecular system. Because these densities cannot be calculated analytically for systems of arbitrary shape, we introduce an atom-based discretization and a set of carefully designed approximations. This allows us to represent the densities by charges and dipoles located at the atoms. Coupled systems of linear equations determine these multipoles and can be rapidly solved by iteration during a MD simulation. The multipoles yield the reaction field forces and energies. Finally, we scrutinize the quality of our approach by comparisons with an analytical solution restricted to perfectly spherical systems and with results of a finite difference method.

Long-range interactions in magnetic bilayer above the critical temperature

NASA Astrophysics Data System (ADS)

de Souza, R. M. V.; Pereira, T. A. S.; Godoy, M.; de Arruda, A. S.

2018-01-01

In this paper we have studied the stabilization of the long-range order in (z ; x) -plane of two isotropic Heisenberg ferromagnetic monolayers coupled by a short-range exchange interaction (J⊥), by a long range dipole-dipole interactions and a magnetic field. We have applied a magnetic field along of the z-direction to study the thermodynamic properties above the critical temperature. The dispersion relation ω and the magnetization are given as function of dipolar anisotropy parameter defined as Ed =(gμ) 2 S /a3J∥ and for other Hamiltonian parameters, and they are calculated by the double-time Zubarev-Tyablikov Green's functions in the random-phase approximation (RPA). The results show that the system is unstable for values of Ed ≥ 0.012 with external magnetic field ranging between H /J∥ = 0 and 10-3. The instability appears for Ed larger then Edc = 0.0158 with H /J∥ = 10-5, Edc = 0.02885 with H /J∥ = 10-4, and Edc = 0.115 with H /J∥ = 10-3, i.e., a small magnetic field is sufficient to maintain the magnetic order in a greater range of the dipolar interaction.

Zn Coordination Chemistry:  Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory.

PubMed

Amin, Elizabeth A; Truhlar, Donald G

2008-01-01

We present nonrelativistic and relativistic benchmark databases (obtained by coupled cluster calculations) of 10 Zn-ligand bond distances, 8 dipole moments, and 12 bond dissociation energies in Zn coordination compounds with O, S, NH3, H2O, OH, SCH3, and H ligands. These are used to test the predictions of 39 density functionals, Hartree-Fock theory, and seven more approximate molecular orbital theories. In the nonrelativisitic case, the M05-2X, B97-2, and mPW1PW functionals emerge as the most accurate ones for this test data, with unitless balanced mean unsigned errors (BMUEs) of 0.33, 0.38, and 0.43, respectively. The best local functionals (i.e., functionals with no Hartree-Fock exchange) are M06-L and τ-HCTH with BMUEs of 0.54 and 0.60, respectively. The popular B3LYP functional has a BMUE of 0.51, only slightly better than the value of 0.54 for the best local functional, which is less expensive. Hartree-Fock theory itself has a BMUE of 1.22. The M05-2X functional has a mean unsigned error of 0.008 Å for bond lengths, 0.19 D for dipole moments, and 4.30 kcal/mol for bond energies. The X3LYP functional has a smaller mean unsigned error (0.007 Å) for bond lengths but has mean unsigned errors of 0.43 D for dipole moments and 5.6 kcal/mol for bond energies. The M06-2X functional has a smaller mean unsigned error (3.3 kcal/mol) for bond energies but has mean unsigned errors of 0.017 Å for bond lengths and 0.37 D for dipole moments. The best of the semiempirical molecular orbital theories are PM3 and PM6, with BMUEs of 1.96 and 2.02, respectively. The ten most accurate functionals from the nonrelativistic benchmark analysis are then tested in relativistic calculations against new benchmarks obtained with coupled-cluster calculations and a relativistic effective core potential, resulting in M05-2X (BMUE = 0.895), PW6B95 (BMUE = 0.90), and B97-2 (BMUE = 0.93) as the top three functionals. We find significant relativistic effects (∼0.01 Å in bond lengths, ∼0.2 D in dipole moments, and ∼4 kcal/mol in Zn-ligand bond energies) that cannot be neglected for accurate modeling, but the same density functionals that do well in all-electron nonrelativistic calculations do well with relativistic effective core potentials. Although most tests are carried out with augmented polarized triple-ζ basis sets, we also carried out some tests with an augmented polarized double-ζ basis set, and we found, on average, that with the smaller basis set DFT has no loss in accuracy for dipole moments and only ∼10% less accurate bond lengths.

360° deterministic magnetization rotation in a three-ellipse magnetoelectric heterostructure

NASA Astrophysics Data System (ADS)

Kundu, Auni A.; Chavez, Andres C.; Keller, Scott M.; Carman, Gregory P.; Lynch, Christopher S.

2018-03-01

A magnetic dipole-coupled magnetoelectric heterostructure comprised of three closely spaced ellipse shapes was designed and shown to be capable of achieving deterministic in-plane magnetization rotation. The design approach used a combination of conventional micromagnetic simulations to obtain preliminary configurations followed by simulations using a fully strain-coupled, time domain micromagnetic code for a detailed assessment of performance. The conventional micromagnetic code has short run times and was used to refine the ellipse shape and orientation, but it does not accurately capture the effects of the strain gradients present in the piezoelectric and magnetostrictive layers that contribute to magnetization reorientation. The fully coupled code was used to assess the effects of strain and magnetic field gradients on precessional switching in the side ellipses and on the resulting dipole-field driven magnetization reorientation in the center ellipse. The work led to a geometry with a CoFeB ellipse (125 nm × 95 nm × 4 nm) positioned between two smaller CoFeB ellipses (75 nm × 50 nm × 4 nm) on a 500 nm PZT-5H film substrate clamped at its bottom surface. The smaller ellipses were oriented at 45° and positioned at 70° and 250° about the central ellipse due to the film deposition on a thick substrate. A 7.3 V pulse applied to the PZT for 0.22 ns produced 180° switching of the magnetization in the outer ellipses that then drove switching in the center ellipse through dipole-dipole coupling. Full 360° deterministic rotation was achieved with a second pulse. The temporal response of the resulting design is discussed.

Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory.

PubMed

Nascimento, Daniel R; DePrince, A Eugene

2017-07-06

An explicitly time-dependent (TD) approach to equation-of-motion (EOM) coupled-cluster theory with single and double excitations (CCSD) is implemented for simulating near-edge X-ray absorption fine structure in molecular systems. The TD-EOM-CCSD absorption line shape function is given by the Fourier transform of the CCSD dipole autocorrelation function. We represent this transform by its Padé approximant, which provides converged spectra in much shorter simulation times than are required by the Fourier form. The result is a powerful framework for the blackbox simulation of broadband absorption spectra. K-edge X-ray absorption spectra for carbon, nitrogen, and oxygen in several small molecules are obtained from the real part of the absorption line shape function and are compared with experiment. The computed and experimentally obtained spectra are in good agreement; the mean unsigned error in the predicted peak positions is only 1.2 eV. We also explore the spectral signatures of protonation in these molecules.

An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling

NASA Astrophysics Data System (ADS)

Liu, Junzi; Cheng, Lan

2018-04-01

An atomic mean-field (AMF) spin-orbit (SO) approach within exact two-component theory (X2C) is reported, thereby exploiting the exact decoupling scheme of X2C, the one-electron approximation for the scalar-relativistic contributions, the mean-field approximation for the treatment of the two-electron SO contribution, and the local nature of the SO interactions. The Hamiltonian of the proposed SOX2CAMF scheme comprises the one-electron X2C Hamiltonian, the instantaneous two-electron Coulomb interaction, and an AMF SO term derived from spherically averaged Dirac-Coulomb Hartree-Fock calculations of atoms; no molecular relativistic two-electron integrals are required. Benchmark calculations for bond lengths, harmonic frequencies, dipole moments, and electric-field gradients for a set of diatomic molecules containing elements across the periodic table show that the SOX2CAMF scheme offers a balanced treatment for SO and scalar-relativistic effects and appears to be a promising candidate for applications to heavy-element containing systems. SOX2CAMF coupled-cluster calculations of molecular properties for bismuth compounds (BiN, BiP, BiF, BiCl, and BiI) are also presented and compared with experimental results to further demonstrate the accuracy and applicability of the SOX2CAMF scheme.

Manipulation of positron orbits in a dipole magnetic field with fluctuating electric fields

NASA Astrophysics Data System (ADS)

Saitoh, H.; Horn-Stanja, J.; Nißl, S.; Stenson, E. V.; Hergenhahn, U.; Pedersen, T. Sunn; Singer, M.; Dickmann, M.; Hugenschmidt, C.; Stoneking, M. R.; Danielson, J. R.; Surko, C. M.

2018-01-01

We report the manipulation of positron orbits in a toroidal dipole magnetic field configuration realized with electric fields generated by segmented electrodes. When the toroidal circulation motion of positrons in the dipole field is coupled with time-varying electric fields generated by azimuthally segmented outer electrodes, positrons undergo oscillations of their radial positions. This enables quick manipulation of the spatial profiles of positrons in a dipole field trap by choosing appropriate frequency, amplitude, phase, and gating time of the electric fields. According to numerical orbit analysis, we applied these electric fields to positrons injected from the NEPOMUC slow positron facility into a prototype dipole field trap experiment with a permanent magnet. Measurements with annihilation γ-rays clearly demonstrated the efficient compression effects of positrons into the strong magnetic field region of the dipole field configuration. This positron manipulation technique can be used as one of essential tools for future experiments on the formation of electron-positron plasmas.

Gap solitons in PT-symmetric optical lattices with higher-order diffraction.

PubMed

Ge, Lijuan; Shen, Ming; Ma, Chunlan; Zang, Taocheng; Dai, Lu

2014-12-01

The existence and stability of gap solitons are investigated in the semi-infinite gap of a parity-time (PT)-symmetric periodic potential (optical lattice) with a higher-order diffraction. The Bloch bands and band gaps of this PT-symmetric optical lattice depend crucially on the coupling constant of the fourth-order diffraction, whereas the phase transition point of this PT optical lattice remains unchangeable. The fourth-order diffraction plays a significant role in destabilizing the propagation of dipole solitons. Specifically, when the fourth-order diffraction coupling constant increases, the stable region of the dipole solitons shrinks as new regions of instability appear. However, fundamental solitons are found to be always linearly stable with arbitrary positive value of the coupling constant. We also investigate nonlinear evolution of the PT solitons under perturbation.

Surface plasmon coupling for suppressing p-GaN absorption and TM-polarized emission in a deep-UV light-emitting diode.

PubMed

Kuo, Yang; Su, Chia-Ying; Hsieh, Chieh; Chang, Wen-Yen; Huang, Chu-An; Kiang, Yean-Woei; Yang, C C

2015-09-15

The radiated power enhancement (suppression) of an in- (out-of-) plane-oriented radiating dipole at a desired emission wavelength in the deep-ultraviolet (UV) range when it is coupled with a surface plasmon (SP) resonance mode induced on a nearby Al nanoparticle (NP) is demonstrated. Also, it is found that the enhanced radiated power propagates mainly in the direction from the Al NP toward the dipole. Such SP coupling behaviors can be used for suppressing the transverse-magnetic (TM)-polarized emission, enhancing the transverse-electric-polarized emission, and reducing the UV absorption of the p-GaN layer in an AlGaN-based deep-UV light-emitting diode by embedding a sphere-like Al NP in its p-AlGaN layer.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goto, Kaname; Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp; Yanagi, Hisao

2016-08-08

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even inmore » the “half-vertical cavity surface emitting lasing” microcavity structure.« less

Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.

PubMed

Kamarchik, Eugene; Toffoli, Daniele; Christiansen, Ove; Bowman, Joel M

2014-02-05

We present full-dimensional, ab initio potential energy and dipole moment surfaces for the F(-)(H2O) complex. The potential surface is a permutationally invariant fit to 16,114 coupled-cluster single double (triple)/aVTZ energies, while the dipole surface is a covariant fit to 11,395 CCSD(T)/aVTZ dipole moments. Vibrational self-consistent field/vibrational configuration interaction (VSCF/VCI) calculations of energies and the IR-spectrum are presented both for F(-)(H2O) and for the deuterated analog, F(-)(D2O). A one-dimensional calculation of the splitting of the ground state, due to equivalent double-well global minima, is also reported. Copyright © 2013 Elsevier B.V. All rights reserved.

Circular current loops, magnetic dipoles and spherical harmonic analysis.

USGS Publications Warehouse

Alldredge, L.R.

1980-01-01

Spherical harmonic analysis (SHA) is the most used method of describing the Earth's magnetic field, even though spherical harmonic coefficients (SHC) almost completely defy interpretation in terms of real sources. Some moderately successful efforts have been made to represent the field in terms of dipoles placed in the core in an effort to have the model come closer to representing real sources. Dipole sources are only a first approximation to the real sources which are thought to be a very complicated network of electrical currents in the core of the Earth. -Author

Half wavelength dipole antennas over stratified media

NASA Technical Reports Server (NTRS)

Latorraca, G. A.

1972-01-01

Theoretical solutions of the fields induced by half-wavelength, horizontal, electric field dipoles (HEDS) are determined based on studies of infinitesimal, horizontal, electric field dipoles over low loss plane-stratified media. To determine these solutions, an approximation to the current distribution of a half-wavelength HED is derived and experimentally verified. Traverse and antenna measurements obtained on the Athabasca Glacier in the summer of 1971 are related to the characteristics of the transmitting antenna design, and the measurement techniques and field equipment used in the glacier trials are described and evaluated.

Gyrokinetic simulations of turbulent transport in a ring dipole plasma.

PubMed

Kobayashi, Sumire; Rogers, Barrett N; Dorland, William

2009-07-31

Gyrokinetic flux-tube simulations of turbulent transport due to small-scale entropy modes are presented in a ring-dipole magnetic geometry relevant to the Columbia-MIT levitated dipole experiment (LDX) [J. Kesner, Plasma Phys. J. 23, 742 (1997)]. Far from the current ring, the dipolar magnetic field leads to strong parallel variations, while close to the ring the system becomes nearly uniform along circular magnetic field lines. The transport in these two limits are found to be quantitatively similar given an appropriate normalization based on the local out-board parameters. The transport increases strongly with the density gradient, and for small eta=L(n)/L(T)<1, T(i) approximately T(e), and typical LDX parameters, can reach large levels. Consistent with linear theory, temperature gradients are stabilizing, and for T(i) approximately T(e) can completely cut off the transport when eta greater or similar to 0.6.

Microstrip technology and its application to phased array compensation

NASA Technical Reports Server (NTRS)

Dudgeon, J. E.; Daniels, W. D.

1972-01-01

A systematic analysis of mutual coupling compensation using microstrip techniques is presented. A method for behind-the-array coupling of a phased antenna array is investigated as to its feasibility. The matching scheme is tried on a rectangular array of one half lambda 2 dipoles, but it is not limited to this array element or geometry. In the example cited the values of discrete components necessary were so small an L-C network is needed for realization. Such L-C tanks might limit an otherwise broadband array match, however, this is not significant for this dipole array. Other areas investigated were balun feeding and power limits of spiral antenna elements.

Optical fingerprint of non-covalently functionalized transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Feierabend, Maja; Malic, Ermin; Knorr, Andreas; Berghäuser, Gunnar

2017-09-01

Atomically thin transition metal dichalcogenides (TMDs) hold promising potential for applications in optoelectronics. Due to their direct band gap and the extraordinarily strong Coulomb interaction, TMDs exhibit efficient light-matter coupling and tightly bound excitons. Moreover, large spin orbit coupling in combination with circular dichroism allows for spin and valley selective optical excitation. As atomically thin materials, they are very sensitive to changes in the surrounding environment. This motivates a functionalization approach, where external molecules are adsorbed to the materials surface to tailor its optical properties. Here, we apply the density matrix theory to investigate the potential of non-covalently functionalized monolayer TMDs. Considering exemplary molecules with a strong dipole moment, we predict spectral redshifts and the appearance of an additional side peak in the absorption spectrum of functionalized TMDs. We show that the molecular characteristics, e.g. coverage, orientation and dipole moment, crucially influence the optical properties of TMDs, leaving a unique optical fingerprint in the absorption spectrum. Furthermore, we find that the molecular dipole moments open a channel for coherent intervalley coupling between the high-symmetry K and K\\prime points which may create new possibilities for spin-valleytronics application.

Continuous millennial decrease of the Earth's magnetic axial dipole

NASA Astrophysics Data System (ADS)

Poletti, Wilbor; Biggin, Andrew J.; Trindade, Ricardo I. F.; Hartmann, Gelvam A.; Terra-Nova, Filipe

2018-01-01

Since the establishment of direct estimations of the Earth's magnetic field intensity in the first half of the nineteenth century, a continuous decay of the axial dipole component has been observed and variously speculated to be linked to an imminent reversal of the geomagnetic field. Furthermore, indirect estimations from anthropologically made materials and volcanic derivatives suggest that this decrease began significantly earlier than direct measurements have been available. Here, we carefully reassess the available archaeointensity dataset for the last two millennia, and show a good correspondence between direct (observatory/satellite) and indirect (archaeomagnetic) estimates of the axial dipole moment creating, in effect, a proxy to expand our analysis back in time. Our results suggest a continuous linear decay as the most parsimonious long-term description of the axial dipole variation for the last millennium. We thus suggest that a break in the symmetry of axial dipole moment advective sources occurred approximately 1100 years earlier than previously described. In addition, based on the observed dipole secular variation timescale, we speculate that the weakening of the axial dipole may end soon.

DNA nanostructures: Through, rather than across

NASA Astrophysics Data System (ADS)

Bruchez, Marcel P.

2018-02-01

Dye molecules are shown to assemble into J-aggregate arrays by sequence-specific organization in the minor groove of DNA duplex sequences. Energy transfer through these structures displays the hallmarks of coherent coupling over distances that exceed those of conventional dipole-coupling processes.

``Dressing'' lines and vertices in calculations of matrix elements with the coupled-cluster method and determination of Cs atomic properties

NASA Astrophysics Data System (ADS)

Derevianko, Andrei; Porsev, Sergey G.

2005-03-01

We consider evaluation of matrix elements with the coupled-cluster method. Such calculations formally involve infinite number of terms and we devise a method of partial summation (dressing) of the resulting series. Our formalism is built upon an expansion of the product C†C of cluster amplitudes C into a sum of n -body insertions. We consider two types of insertions: particle (hole) line insertion and two-particle (two-hole) random-phase-approximation-like insertion. We demonstrate how to “dress” these insertions and formulate iterative equations. We illustrate the dressing equations in the case when the cluster operator is truncated at single and double excitations. Using univalent systems as an example, we upgrade coupled-cluster diagrams for matrix elements with the dressed insertions and highlight a relation to pertinent fourth-order diagrams. We illustrate our formalism with relativistic calculations of the hyperfine constant A(6s) and the 6s1/2-6p1/2 electric-dipole transition amplitude for the Cs atom. Finally, we augment the truncated coupled-cluster calculations with otherwise omitted fourth order diagrams. The resulting analysis for Cs is complete through the fourth order of many-body perturbation theory and reveals an important role of triple and disconnected quadruple excitations.

Collisional excitation of the highly excited hydrogen atoms in the dipole form of the semiclassical impact parameter and Born approximations

NASA Technical Reports Server (NTRS)

Omidvar, K.

1971-01-01

Expressions for the excitation cross section of the highly excited states of the hydrogenlike atoms by fast charged particles have been derived in the dipole approximation of the semiclassical impact parameter and the Born approximations, making use of a formula for the asymptotic expansion of the oscillator strength of the hydrogenlike atoms given by Menzel. When only the leading term in the asymptotic expansion is retained, the expression for the cross section becomes identical to the expression obtained by the method of the classical collision and correspondence principle given by Percival and Richards. Comparisons are made between the Bethe coefficients obtained here and the Bethe coefficients of the Born approximation for transitions where the Born calculation is available. Satisfactory agreement is obtained only for n yields n + 1 transitions, with n the principal quantum number of the excited state.

Polymer chain collapse induced by many-body dipole correlations.

PubMed

Budkov, Yu A; Kalikin, N N; Kolesnikov, A L

2017-04-01

We present a simple analytical theory of a flexible polymer chain dissolved in a good solvent, carrying permanent freely oriented dipoles on the monomers. We take into account the dipole correlations within the random phase approximation (RPA), as well as a dielectric heterogeneity in the internal polymer volume relative to the bulk solution. We demonstrate that the dipole correlations of monomers can be taken into account as pairwise ones only when the polymer chain is in a coil conformation. In this case the dipole correlations manifest themselves through the Keesom interactions of the permanent dipoles. On the other hand, the dielectric heterogeneity effect (dielectric mismatch effect) leads to the effective interaction between the monomers of the polymeric coil. Both of these effects can be taken into account by renormalizing the second virial coefficient of the monomer-monomer volume interactions. We establish that in the case when the solvent dielectric permittivity exceeds the dielectric permittivity of the polymeric material, the dielectric mismatch effect competes with the dipole attractive interactions, leading to polymer coil expansion. In the opposite case, both the dielectric mismatch effect and the dipole attractive interaction lead to the polymer coil collapse. We analyse the coil-globule transition caused by the dipole correlations of monomers within the many-body theory. We demonstrate that accounting for the dipole correlations higher than the pairwise ones smooths this pure electrostatics driven coil-globule transition of the polymer chain.

Contributions of axionlike particles to lepton dipole moments

DOE PAGES

Marciano, W. J.; Masiero, A.; Paradisi, P.; ...

2016-12-30

We examined contributions of a spin-0 axionlike particle (ALP) to lepton dipole moments, g - 2 and EDMs. Barr-Zee and light-by-light loop effects from a light pseudoscalar ALP are found to be capable of resolving the longstanding muon g - 2 discrepancy at the expense of relatively large ALP - γ γ couplings. We also discussed the compatibility of such large couplings with direct experimental constraints and perturbative unitarity bounds. Future tests of such a scenario are described. For C P -violating ALP couplings, the electron EDM is found to probe much smaller, theoretically more easily accommodated ALP interactions. Wemore » advocate future planned improvements in electron EDM searches as a way to not only significantly constrain ALP parameters, but also potentially unveil a new source of C P violation which could have far-reaching ramifications.« less

Magnonic waveguide based on exchange-spring magnetic structure

NASA Astrophysics Data System (ADS)

Wang, Lixiang; Gao, Leisen; Jin, Lichuan; Liao, Yulong; Wen, Tianlong; Tang, Xiaoli; Zhang, Huaiwu; Zhong, Zhiyong

2018-05-01

A soft/hard exchange-spring coupled bilayer magnetic structure is proposed to obtain a narrow channel for spin-wave propagation. Micromagnetic simulations show that broad-band Damon-Eshbach geometry spin waves are strongly constrained within the channel and propagate effectively with a high group velocity. The beam width of the bound spin waves is almost independent from the frequency and is smaller than 24nm. Two side spin beams appearing at the low-frequency excitation are demonstrated to be coupled with the channel spins by dipole-dipole interaction. In contrast to a domain wall, the channel formed by exchange-spring coupling is easier to be realized in experimental scenarios and holds stronger immunity to surroundings. This work is expected to open new possibilities for energy-efficient spin-wave guiding as well as to help shape the field of beam magnonics.

Cooperatively coupled motion with superradiant and subradiant atoms

NASA Astrophysics Data System (ADS)

Lin, Guin-Dar; Lin, Kuan-Ting; Tang, Er-Siang

2017-04-01

We investigate the coupled motion of cooperative atoms subjected to the Doppler dissipative force. The dipole-dipole interaction introduces mutual decay channel and splits the super-radiant and sub-radiant states. The Doppler force is thus modified due to the collective emission and coupled recoil. Such a cooperative effect is more evident when the inter-atom separation is less than or comparable to a wavelength. In an optical molasses, we find that, along the axis of two atoms, there presents an effective potential with mechanically stable and unstable regions alternatively as their separation increases. Taking the cooperative Lamb shift into account, we map out the stability diagram and investigate the blockade effect. We thank the support from MOST of Taiwan under Grant No. 105-2112-M-002-015-MY3 and National Taiwan University under Grant No. NTU-ERP-105R891401.

Non-perturbative theory of dispersion interactions

NASA Astrophysics Data System (ADS)

Boström, M.; Thiyam, P.; Persson, C.; Parsons, D. F.; Buhmann, S. Y.; Brevik, I.; Sernelius, Bo E.

2015-03-01

Some open questions exist with fluctuation-induced forces between extended dipoles. Conventional intuition derives from large-separation perturbative approximations to dispersion force theory. Here, we present a full non-perturbative theory. In addition, we discuss how one can take into account finite dipole size corrections. It is of fundamental value to investigate the limits of validity of the perturbative dispersion force theory.

Do large rate coefficients for ion-polar neutral reactions have a serious effect on chemical models of dense clouds?

NASA Technical Reports Server (NTRS)

Herbst, E.; Leung, C. M.

1986-01-01

In order to incorporate large ion-polar neutral rate coefficients into existing gas phase reaction networks, it is necessary to utilize simplified theoretical treatments because of the significant number of rate coefficients needed. The authors have used two simple theoretical treatments: the locked dipole approach of Moran and Hamill for linear polar neutrals and the trajectory scaling approach of Su and Chesnavich for nonlinear polar neutrals. The former approach is suitable for linear species because in the interstellar medium these are rotationally relaxed to a large extent and the incoming charged reactants can lock their dipoles into the lowest energy configuration. The latter approach is a better approximation for nonlinear neutral species, in which rotational relaxation is normally less severe and the incoming charged reactants are not as effective at locking the dipoles. The treatments are in reasonable agreement with more detailed long range theories and predict an inverse square root dependence on kinetic temperature for the rate coefficient. Compared with the locked dipole method, the trajectory scaling approach results in rate coefficients smaller by a factor of approximately 2.5.

Silicon Mie resonators for highly directional light emission from monolayer MoS2

NASA Astrophysics Data System (ADS)

Cihan, Ahmet Fatih; Curto, Alberto G.; Raza, Søren; Kik, Pieter G.; Brongersma, Mark L.

2018-05-01

Controlling light emission from quantum emitters has important applications, ranging from solid-state lighting and displays to nanoscale single-photon sources. Optical antennas have emerged as promising tools to achieve such control right at the location of the emitter, without the need for bulky, external optics. Semiconductor nanoantennas are particularly practical for this purpose because simple geometries such as wires and spheres support multiple, degenerate optical resonances. Here, we start by modifying Mie scattering theory developed for plane wave illumination to describe scattering of dipole emission. We then use this theory and experiments to demonstrate several pathways to achieve control over the directionality, polarization state and spectral emission that rely on a coherent coupling of an emitting dipole to optical resonances of a silicon nanowire. A forward-to-backward ratio of 20 was demonstrated for the electric dipole emission at 680 nm from a monolayer MoS2 by optically coupling it to a silicon nanowire.

Magnetic effect in the test of the weak equivalence principle using a rotating torsion pendulum

NASA Astrophysics Data System (ADS)

Zhu, Lin; Liu, Qi; Zhao, Hui-Hui; Yang, Shan-Qing; Luo, Pengshun; Shao, Cheng-Gang; Luo, Jun

2018-04-01

The high precision test of the weak equivalence principle (WEP) using a rotating torsion pendulum requires thorough analysis of systematic effects. Here we investigate one of the main systematic effects, the coupling of the ambient magnetic field to the pendulum. It is shown that the dominant term, the interaction between the average magnetic field and the magnetic dipole of the pendulum, is decreased by a factor of 1.1 × 104 with multi-layer magnetic shield shells. The shield shells reduce the magnetic field to 1.9 × 10-9 T in the transverse direction so that the dipole-interaction limited WEP test is expected at η ≲ 10-14 for a pendulum dipole less than 10-9 A m2. The high-order effect, the coupling of the magnetic field gradient to the magnetic quadrupole of the pendulum, would also contribute to the systematic errors for a test precision down to η ˜ 10-14.

Magnetic effect in the test of the weak equivalence principle using a rotating torsion pendulum.

PubMed

Zhu, Lin; Liu, Qi; Zhao, Hui-Hui; Yang, Shan-Qing; Luo, Pengshun; Shao, Cheng-Gang; Luo, Jun

2018-04-01

The high precision test of the weak equivalence principle (WEP) using a rotating torsion pendulum requires thorough analysis of systematic effects. Here we investigate one of the main systematic effects, the coupling of the ambient magnetic field to the pendulum. It is shown that the dominant term, the interaction between the average magnetic field and the magnetic dipole of the pendulum, is decreased by a factor of 1.1 × 10 4 with multi-layer magnetic shield shells. The shield shells reduce the magnetic field to 1.9 × 10 -9 T in the transverse direction so that the dipole-interaction limited WEP test is expected at η ≲ 10 -14 for a pendulum dipole less than 10 -9 A m 2 . The high-order effect, the coupling of the magnetic field gradient to the magnetic quadrupole of the pendulum, would also contribute to the systematic errors for a test precision down to η ∼ 10 -14 .

Near-field spatial mapping of strongly interacting multiple plasmonic infrared antennas.

PubMed

Grefe, Sarah E; Leiva, Daan; Mastel, Stefan; Dhuey, Scott D; Cabrini, Stefano; Schuck, P James; Abate, Yohannes

2013-11-21

Near-field dipolar plasmon interactions of multiple infrared antenna structures in the strong coupling limit are studied using scattering-type scanning near-field optical microscope (s-SNOM) and theoretical finite-difference time-domain (FDTD) calculations. We monitor in real-space the evolution of plasmon dipolar mode of a stationary antenna structure as multiple resonantly matched dipolar plasmon particles are closely approaching it. Interparticle separation, length and polarization dependent studies show that the cross geometry structure favors strong interparticle charge-charge, dipole-dipole and charge-dipole Coulomb interactions in the nanometer scale gap region, which results in strong field enhancement in cross-bowties and further allows these structures to be used as polarization filters. The nanoscale local field amplitude and phase maps show that due to strong interparticle Coulomb coupling, cross-bowtie structures redistribute and highly enhance the out-of-plane (perpendicular to the plane of the sample) plasmon near-field component at the gap region relative to ordinary bowties.

17O NMR Investigation of Water Structure and Dynamics

PubMed Central

Keeler, Eric G.; Michaelis, Vladimir K.; Griffin, Robert G.

2017-01-01

The structure and dynamics of the bound water in barium chlorate monohydrate were studied with 17O nuclear magnetic resonance (NMR) spectroscopy in samples that are stationary and spinning at the magic-angle in magnetic fields ranging from 14.1 to 21.1 T. 17O NMR parameters of the water were determined, and the effects of torsional oscillations of the water molecule on the 17O quadrupolar coupling constant (CQ) were delineated with variable temperature MAS NMR. With decreasing temperature and reduction of the librational motion, we observe an increase in the experimentally measured CQ explaining the discrepancy between experiments and predictions from density functional theory. In addition, at low temperatures and in the absence of 1H decoupling, we observe a well-resolved 1H–17O dipole splitting in the spectra, which provides information on the structure of the H2O molecule. The splitting arises because of the homogeneous nature of the coupling between the two 1H–17O dipoles and the 1H–1H dipole. PMID:27454747

Nonadiabatic Coupling

NASA Astrophysics Data System (ADS)

Kryachko, Eugene S.

The general features of the nonadiabatic coupling and its relation to molecular properties are surveyed. Some consequences of the [`]equation of motion', formally expressing a [`]smoothness' of a given molecular property within the diabatic basis, are demonstrated. A particular emphasis is made on the relation between a [`]smoothness' of the electronic dipole moment and the generalized Mulliken-Hush formula for the diabatic electronic coupling.

Charge transfer polarisation wave and carrier pairing in the high T(sub c) copper oxides

NASA Technical Reports Server (NTRS)

Chakraverty, B. K.

1990-01-01

The High T(sub c) oxides are highly polarizable materials and are charge transfer insulators. The charge transfer polarization wave formalism is developed in these oxides. The dispersion relationships due to long range dipole-dipole interaction of a charge transfer dipole lattice are obtained in 3-D and 2-D. These are high frequency bosons and their coupling with carriers is weak and antiadiabatic in nature. As a result, the mass renormalization of the carriers is negligible in complete contrast to conventional electron-phonon interaction, that give polarons and bipolarons. Both bound and superconducting pairing is discussed for a model Hamiltonian valid in the antiadiabatic regime, both in 3-D and 2-D. The stability of the charge transfer dipole lattice has interesting consequences that are discussed.

Engineering matter interactions using squeezed vacuum

NASA Astrophysics Data System (ADS)

Zeytinoglu, Sina; Imamoglu, Atac; Huber, Sebastian

Virtually all interactions that are relevant for atomic and condensed matter physics are mediated by the quantum fluctuations of the electromagnetic field vacuum. Consequently, controlling the latter can be used to engineer the strength and the range of inter-particle interactions. Recent experiments have used this premise to demonstrate novel quantum phases or entangling gates by embedding electric dipoles in photonic cavities or waveguides which modify the electromagnetic fluctuations. In this submission, we demonstrate theoretically that the enhanced fluctuations in the anti-squeezed quadrature of a squeezed vacuum state allows for engineering interactions between electric dipoles without the need for a photonic cavity or waveguide. Thus, the strength and range of the resulting dipole-dipole coupling can be engineered by dynamically changing the spatial profile of the squeezed vacuum in a travelling-wave geometry. ETH-Zurich.

Engineering matter interactions using squeezed vacuum

NASA Astrophysics Data System (ADS)

Zeytinoglu, Sina; Imamoglu, Atac; Huber, Sebastian

Virtually all interactions that are relevant for atomic and condensed matter physics are mediated by the quantum fluctuations of the electromagnetic field vacuum. Consequently, controlling the latter can be used to engineer the strength and the range of inter-particle interactions. Recent experiments have used this premise to demonstrate novel quantum phases or entangling gates by embedding electric dipoles in photonic cavities or waveguides which modify the electromagnetic fluctuations. In this talk, we demonstrate theoretically that the enhanced fluctuations in the anti-squeezed quadrature of a squeezed vacuum state allows for engineering interactions between electric dipoles without the need for a photonic cavity or waveguide. Thus, the strength and range of the resulting dipole-dipole coupling can be engineered by dynamically changing the spatial profile of the squeezed vacuum in a travelling-wave geometry. ETH Zurich.

Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

NASA Astrophysics Data System (ADS)

El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

2018-03-01

In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

Strong-field ionization of xenon dimers: The effect of two-equivalent-center interference and of driving ionic transitions

NASA Astrophysics Data System (ADS)

Zhang, C.; Feng, T.; Raabe, N.; Rottke, H.

2018-02-01

Strong-field ionization (SFI) of the homonuclear noble gas dimer Xe2 is investigated and compared with SFI of the Xe atom and of the ArXe heteronuclear dimer by using ultrashort Ti:sapphire laser pulses and photoelectron momentum spectroscopy. The large separation of the two nuclei of the dimer allows the study of two-equivalent-center interference effects on the photoelectron momentum distribution. Comparing the experimental results with a new model calculation, which is based on the strong-field approximation, actually reveals the influence of interference. Moreover, the comparison indicates that the presence of closely spaced gerade and ungerade electronic state pairs of the Xe2 + ion at the Xe2 ionization threshold, which are strongly dipole coupled, affects the photoelectron momentum distribution.

Two-color above-threshold and two-photon sequential double ionization beyond the dipole approximation

NASA Astrophysics Data System (ADS)

Grum-Grzhimailo, A. N.; Gryzlova, E. V.; Kuzmina, E. I.; Chetverkina, A. S.; Strakhova, S. I.

2015-04-01

Two nonlinear atomic photoprocesses are theoretically considered with the emphasis on the photoelectron angular distributions and their modifications due to violation of the dipole approximation: sequential two-photon double ionization and two-color above threshold ionization. These reactions are now accessible with X-ray free electron lasers. Both processes are exemplified by the ionization of krypton: from the 4p shell in the sequential two-photon double ionization and from the 2s shell in the two-color above-threshold ionization, which are compared to the Ar(3p) and Ne(1s) ionization, respectively. Noticeable nondipole effects are predicted.

Doubly resonant three-wave-mixing spectroscopy of a chiral coupled-chromophore system in solution: coherent two-dimensional optical activity spectroscopy.

PubMed

Cheon, Sangheon; Lee, Hochan; Choi, Jun-Ho; Cho, Minhaeng

2007-02-07

Theoretical descriptions of doubly resonant two-dimensional (2D) sum-frequency-generation (SFG) and difference-frequency-generation (DFG) spectroscopies of coupled-chromophore systems are presented. Despite that each electronic or vibrational chromophore is achiral, the interaction-induced chirality of a coupled multichromophore system in solution can be measured by using the doubly resonant 2D three-wave-mixing (3WM) spectroscopic method. An electronically coupled dimer, where each monomer is modeled as a simple two-level system, can have nonvanishing SFG (or DFG) properties, e.g., susceptibility in frequency domain or nonlinear response function in time domain, if the induced dipole vector of the dimer is not orthogonal to the vector product of the two monomer electronic transition dipole vectors. In order to demonstrate that these 2D 3WM spectroscopic methods can be used to determine the solution structure of a polypeptide, the authors carried out quantum chemistry calculations for an alanine dipeptide and obtained first- and second-order dipole derivatives associated with the amide I vibrational transitions of the dipeptide. It is shown that the numerically simulated 2D IR-IR SFG spectrum is highly sensitive to the dipeptide secondary structure and provides rich information on the one- and two-exciton states. It is believed that the theoretically proposed doubly resonant 2D 3WM spectroscopy, which can be considered to be an optical activity spectroscopy, will be of use in studying both structural and dynamical aspects of coupled multichromophore systems, such as proteins, nucleic acids, nanoparticle aggregates etc.

Elementary quantum mechanics of the neutron with an electric dipole moment

PubMed Central

Baym, Gordon; Beck, D. H.

2016-01-01

The neutron, in addition to possibly having a permanent electric dipole moment as a consequence of violation of time-reversal invariance, develops an induced electric dipole moment in the presence of an external electric field. We present here a unified nonrelativistic description of these two phenomena, in which the dipole moment operator, D→, is not constrained to lie along the spin operator. Although the expectation value of D→ in the neutron is less than 10−13 of the neutron radius, rn, the expectation value of D→ 2 is of order rn2. We determine the spin motion in external electric and magnetic fields, as used in past and future searches for a permanent dipole moment, and show that the neutron electric polarizability, although entering the neutron energy in an external electric field, does not affect the spin motion. In a simple nonrelativistic model we show that the expectation value of the permanent dipole is, to lowest order, proportional to the product of the time-reversal-violating coupling strength and the electric polarizability of the neutron. PMID:27325765

Elementary quantum mechanics of the neutron with an electric dipole moment.

PubMed

Baym, Gordon; Beck, D H

2016-07-05

The neutron, in addition to possibly having a permanent electric dipole moment as a consequence of violation of time-reversal invariance, develops an induced electric dipole moment in the presence of an external electric field. We present here a unified nonrelativistic description of these two phenomena, in which the dipole moment operator, [Formula: see text], is not constrained to lie along the spin operator. Although the expectation value of [Formula: see text] in the neutron is less than [Formula: see text] of the neutron radius, [Formula: see text], the expectation value of [Formula: see text] is of order [Formula: see text] We determine the spin motion in external electric and magnetic fields, as used in past and future searches for a permanent dipole moment, and show that the neutron electric polarizability, although entering the neutron energy in an external electric field, does not affect the spin motion. In a simple nonrelativistic model we show that the expectation value of the permanent dipole is, to lowest order, proportional to the product of the time-reversal-violating coupling strength and the electric polarizability of the neutron.

Tip-Nanoparticle Near-Field Coupling in Scanning Near-Field Microscopy by Coupled Dipole Method

NASA Astrophysics Data System (ADS)

Ruan, Yi; Li, Kan; Lin, Qiang; Zhang, Ting

2018-04-01

Not Available Supported by the Start-Up Grant of Zhejiang University of Technology, the Zhejiang Provincial Key Laboratory of Information Processing, Communication and Networking, the Zhejiang University, and the National Natural Science Foundation of China under Grant No 61605171.

Quantum synchronization of many coupled atoms for an ultranarrow linewidth laser

NASA Astrophysics Data System (ADS)

He, Peiru; Xu, Minghui; Tieri, David; Zhu, Bihui; Rey, Ana Maria; Hazzard, Kaden; Holland, Murray

2014-05-01

We theoretically investigate the effect of quantum synchronization on many coupled two-level atoms acting as high quality oscillators. We show that quantum synchronization - the spontaneous alignment of the phase (of the two-level superposition) between different atoms - provides a potential approach to produce robust atomic coherences and coherent light with ultranarrow linewidth and extreme phase stability. The atoms may be coupled either through their direct dipole-dipole interactions or, as in a superradiant laser, through an optical cavity. We develop a variety of analytic and computational approaches for this problem, including exact open quantum system methods for small systems, semiclassical theories, and approaches that make use of the permutation symmetry of identically coupled ensembles. We investigate the first and second order coherence properties of both the optical and atomic degrees of freedom. We study synchronization in both the steady-state, as well as during the dynamically applied pulse sequences of Rabi and Ramsey interferometry. This work was supported by the DARPA QuASAR program, the NSF, and NIST.

Waveguide transport mediated by strong coupling with atoms

NASA Astrophysics Data System (ADS)

Cheng, Mu-Tian; Xu, Jingping; Agarwal, Girish S.

2017-05-01

We investigate single-photon scattering properties in a one-dimensional waveguide coupled to a quantum emitter's chain with dipole-dipole interaction (DDI). The photon transport is extremely sensitive to the location of the evanescently coupled atoms. The analytical expressions of reflection and transmission amplitudes for the chain containing two emitters with DDI are deduced by using a real-space Hamiltonian. Two cases, where the two emitters symmetrically or asymmetrically couple to the waveguide, are discussed in detail. It shows that the reflection and transmission typical spectra split into two peaks due to the DDI. The Fano minimum in the spectra can be used to estimate the strength of the DDI. Furthermore, the DDI makes spectra strongly asymmetric and creates a transmission window in the region where there was zero transmission. The scattering spectra for the chain consisting of multiple emitters are also given. Our key finding is that DDI can broaden the frequency bandwidth for high reflection when the chain consists of many emitters.

Model of the Radio Frequency (RF) Excitation Response from Monopole and Dipole Antennas in a Large Scale Tank

NASA Technical Reports Server (NTRS)

Wilson, Jeffrey D.; Zimmerli, Gregory A.

2012-01-01

Good antenna-mode coupling is needed for determining the amount of propellant in a tank through the method of radio frequency mass gauging (RFMG). The antenna configuration and position in a tank are important factors in coupling the antenna to the natural electromagnetic modes. In this study, different monopole and dipole antenna mounting configurations and positions were modeled and responses simulated in a full-scale tank model with the transient solver of CST Microwave Studio (CST Computer Simulation Technology of America, Inc.). The study was undertaken to qualitatively understand the effect of antenna design and placement within a tank on the resulting radio frequency (RF) tank spectrum.

Radiating dipoles in photonic crystals

PubMed

Busch; Vats; John; Sanders

2000-09-01

The radiation dynamics of a dipole antenna embedded in a photonic crystal are modeled by an initially excited harmonic oscillator coupled to a non-Markovian bath of harmonic oscillators representing the colored electromagnetic vacuum within the crystal. Realistic coupling constants based on the natural modes of the photonic crystal, i.e., Bloch waves and their associated dispersion relation, are derived. For simple model systems, well-known results such as decay times and emission spectra are reproduced. This approach enables direct incorporation of realistic band structure computations into studies of radiative emission from atoms and molecules within photonic crystals. We therefore provide a predictive and interpretative tool for experiments in both the microwave and optical regimes.

Design and Test of Magnetic Wall Decoupling for Dipole Transmit/Receive Array for MR Imaging at the Ultrahigh Field of 7T.

PubMed

Yan, Xinqiang; Zhang, Xiaoliang; Wei, Long; Xue, Rong

2015-01-01

Radio-frequency coil arrays using dipole antenna technique have been recently applied for ultrahigh field magnetic resonance (MR) imaging to obtain the better signal-noise-ratio (SNR) gain at the deep area of human tissues. However, the unique structure of dipole antennas makes it challenging to achieve sufficient electromagnetic decoupling among the dipole antenna elements. Currently, there is no decoupling methods proposed for dipole antenna arrays in MR imaging. The recently developed magnetic wall (MW) or induced current elimination decoupling technique has demonstrated its feasibility and robustness in designing microstrip transmission line arrays, L/C loop arrays and monopole arrays. In this study, we aim to investigate the possibility and performance of MW decoupling technique in dipole arrays for MR imaging at the ultrahigh field of 7T. To achieve this goal, a two-channel MW decoupled dipole array was designed, constructed and analyzed experimentally through bench test and MR imaging. Electromagnetic isolation between the two dipole elements was improved from about -3.6 dB (without any decoupling treatments) to -16.5 dB by using the MW decoupling method. MR images acquired from a water phantom using the MW decoupled dipole array and the geometry factor maps were measured, calculated and compared with those acquired using the dipole array without decoupling treatments. The MW decoupled dipole array demonstrated well-defined image profiles from each element and had better geometry factor over the array without decoupling treatments. The experimental results indicate that the MW decoupling technique might be a promising solution to reducing the electromagnetic coupling of dipole arrays in ultrahigh field MRI, consequently improving their performance in SNR and parallel imaging.

NLO evolution of color dipole

DOE PAGES

Balitsky, Ian; Chirilli, Giovanni A.

2008-09-01

The small-x deep inelastic scattering in the saturation region is governed by the non-linear evolution of Wilson-line operators. In the leading logarithmic approximation it is given by the BK equation for the evolution of color dipoles. In the next-to-leading order the BK equation gets contributions from quark and gluon loops as well as from the tree gluon diagrams with quadratic and cubic nonlinearities.

Sum Rule for a Schiff-Like Dipole Moment

NASA Astrophysics Data System (ADS)

Raduta, A. A.; Budaca, R.

The energy-weighted sum rule for an electric dipole transition operator of a Schiff type differs from the Thomas-Reiche-Kuhn (TRK) sum rule by several corrective terms which depend on the number of system components, N. For illustration the formalism was applied to the case of Na clusters. One concludes that the random phase approximation (RPA) results for Na clusters obey the modified TRK sum rule.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2016-01-28

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

Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches

NASA Astrophysics Data System (ADS)

Abe, M.; Prasannaa, V. S.; Das, B. P.

2018-03-01

Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (e EDM ), in order to explore physics beyond the standard model, requires a synergy of molecular experiment and theory. Recent advances in experiment in this field have motivated us to implement a finite-field coupled-cluster (FFCC) approach. This work has distinct advantages over the theoretical methods that we had used earlier in the analysis of e EDM searches. We used relativistic FFCC to calculate molecular properties of interest to e EDM experiments, that is, the effective electric field (Eeff) and the permanent electric dipole moment (PDM). We theoretically determine these quantities for the alkaline-earth monofluorides (AEMs), the mercury monohalides (Hg X ), and PbF. The latter two systems, as well as BaF from the AEMs, are of interest to e EDM searches. We also report the calculation of the properties using a relativistic finite-field coupled-cluster approach with single, double, and partial triples' excitations, which is considered to be the gold standard of electronic structure calculations. We also present a detailed error estimate, including errors that stem from our choice of basis sets, and higher-order correlation effects.

Cosmic microwave background dipole spectrum measured by the COBE FIRAS instrument

NASA Technical Reports Server (NTRS)

Fixsen, D. J.; Cheng, E. S.; Cottingham, D. A.; Eplee, R. E., Jr.; Isaacman, R. B.; Mather, J. C.; Meyer, S. S.; Noerdlinger, P. D.; Shafer, R. A.; Weiss, R.

1994-01-01

The Far-Infrared Absolute Spectrophotometer (FIRAS) instrument on the Cosmic Background Explorer (COBE) has determined the dipole spectrum of the cosmic microwave background radiation (CMBR) from 2 to 20/cm. For each frequency the signal is decomposed by fitting to a monopole, a dipole, and a Galactic template for approximately 60% of the sky. The overall dipole spectrum fits the derivative of a Planck function with an amplitude of 3.343 +/- 0.016 mK (95% confidence level), a temperature of 2.714 +/- 0.022 K (95% confidence level), and an rms deviation of 6 x 10(exp -9) ergs/sq cm/s/sr cm limited by a detector and cosmic-ray noise. The monopole temperature is consistent with that determined by direct measurement in the accompanying article by Mather et al.

Quantum electric-dipole liquid on a triangular lattice.

PubMed

Shen, Shi-Peng; Wu, Jia-Chuan; Song, Jun-Da; Sun, Xue-Feng; Yang, Yi-Feng; Chai, Yi-Sheng; Shang, Da-Shan; Wang, Shou-Guo; Scott, James F; Sun, Young

2016-02-04

Geometric frustration and quantum fluctuations may prohibit the formation of long-range ordering even at the lowest temperature, and therefore liquid-like ground states could be expected. A good example is the quantum spin liquid in frustrated magnets. Geometric frustration and quantum fluctuations can happen beyond magnetic systems. Here we propose that quantum electric-dipole liquids, analogues of quantum spin liquids, could emerge in frustrated dielectrics where antiferroelectrically coupled electric dipoles reside on a triangular lattice. The quantum paraelectric hexaferrite BaFe12O19 with geometric frustration represents a promising candidate for the proposed electric-dipole liquid. We present a series of experimental lines of evidence, including dielectric permittivity, heat capacity and thermal conductivity measured down to 66 mK, to reveal the existence of an unusual liquid-like quantum phase in BaFe12O19, characterized by itinerant low-energy excitations with a small gap. The possible quantum liquids of electric dipoles in frustrated dielectrics open up a fresh playground for fundamental physics.

Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method.

PubMed

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2016-11-14

The analytical energy gradient and Hessian of the two-component Normalized Elimination of the Small Component (2c-NESC) method with regard to the components of the electric field are derived and used to calculate spin-orbit coupling (SOC) corrected dipole moments and dipole polarizabilities of molecules, which contain elements with high atomic number. Calculated 2c-NESC dipole moments and isotropic polarizabilities agree well with the corresponding four-component-Dirac Hartree-Fock or density functional theory values. SOC corrections for the electrical properties are in general small, but become relevant for the accurate prediction of these properties when the molecules in question contain sixth and/or seventh period elements (e.g., the SO effect for At 2 is about 10% of the 2c-NESC polarizability). The 2c-NESC changes in the electric molecular properties are rationalized in terms of spin-orbit splitting and SOC-induced mixing of frontier orbitals with the same j = l + s quantum numbers.

Mutual orientation of three magnetic tensors in a polycrystalline dipeptide by dipole-modulated 15N chemical shift spectroscopy

NASA Astrophysics Data System (ADS)

Hartzell, C. J.; Pratum, T. K.; Drobny, G.

1987-10-01

This study demonstrates the mutual orientation of three tensor interactions in a single NMR experiment. The orientation of the 15N chemical shift tensor relative to the molecular frame has thus been determined in polycrystalline L-[1-13C] alanyl-L-[15N] alanine. The 13C-15N and 15N-1H dipole interactions are determined using the 1H dipole-modulated, 13C dipole-coupled 15N spectrum obtained as a transform of the data in t2. From simulations of the experimental spectra, two sets of polar angles have been determined relating the 13C-15N and 15N-1H dipoles to the 15N chemical shift tensor. The values determined are βCN =106°, αCN =5° and βNH =-19°, αNH =12°. The experiment verifies, without reference to single crystal data, that σ33 lies in the peptide plane and σ22 is nearly perpendicular to the plane.

Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2016-11-01

The analytical energy gradient and Hessian of the two-component Normalized Elimination of the Small Component (2c-NESC) method with regard to the components of the electric field are derived and used to calculate spin-orbit coupling (SOC) corrected dipole moments and dipole polarizabilities of molecules, which contain elements with high atomic number. Calculated 2c-NESC dipole moments and isotropic polarizabilities agree well with the corresponding four-component-Dirac Hartree-Fock or density functional theory values. SOC corrections for the electrical properties are in general small, but become relevant for the accurate prediction of these properties when the molecules in question contain sixth and/or seventh period elements (e.g., the SO effect for At2 is about 10% of the 2c-NESC polarizability). The 2c-NESC changes in the electric molecular properties are rationalized in terms of spin-orbit splitting and SOC-induced mixing of frontier orbitals with the same j = l + s quantum numbers.

Reconstruction of Pressure Profile Evolution during Levitated Dipole Experiments

NASA Astrophysics Data System (ADS)

Mauel, M.; Garnier, D.; Boxer, A.; Ellsworth, J.; Kesner, J.

2008-11-01

Magnetic levitation of the LDX superconducting dipole causes significant changes in the measured diamagnetic flux and what appears to be an isotropic plasma pressure profile (p˜p||). This poster describes the reconstruction of plasma current and plasma pressure profiles from external measurements of the equilibrium magnetic field, which vary substantially as a function of time depending upon variations in neutral pressure and multifrequency ECRH power levels. Previous free-boundary reconstructions of plasma equilibrium showed the plasma to be anisotropic and highly peaked at the location of the cyclotron resonance of the microwave heating sources. Reconstructions of the peaked plasma pressures confined by a levitated dipole incorporate the small axial motion of the dipole (±5 mm), time varying levitation coil currents, eddy currents flowing in the vacuum vessel, constant magnetic flux linking the superconductor, and new flux loops located near the hot plasma in order to closely couple to plasma current and dipole current variations. I. Karim, et al., J. Fusion Energy, 26 (2007) 99.

On the optimization, and the intensity dependence, of the excitation rate for the absorption of two-photons due to the direct permanent dipole moment excitation mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meath, William J., E-mail: wmeath@uwo.ca

2016-07-15

A model two-level dipolar molecule, and the rotating wave approximation and perturbation theory, are used to investigate the optimization and the laser intensity dependence of the two-photon excitation rate via the direct permanent dipole mechanism. The rate is proportional to the square of the laser intensity I only for small intensities and times when perturbation theory is applicable. An improvement on perturbation theory is provided by a small time RWA result for the rate which is not proportional to I{sup 2}; rather it is proportional to the square of an effective intensity I{sub eff}. For each laser intensity the optimummore » RWA excitation rate as a function of time, for low intensities, is proportional to I, not I{sup 2}, and for high intensities it is proportional to I{sub eff}. For a given two-photon transition the laser-molecule coupling optimizes for an intensity I{sub max} which, for example, leads to a maximum possible excitation rate as a function of time. The validity of the RWA results of this paper, and the importance of including the effects of virtual excited states, are also discussed briefly.« less

The Existence of Topological Edge States in Honeycomb Plasmonic Lattices

NASA Astrophysics Data System (ADS)

Wang, Li

In this paper, we investigate the band properties of 2D honeycomb plasmonic lattices consisting of metallic nanoparticles. By means of the coupled dipole method and quasi-static approximation, we theoretically analyze the band structures stemming from near-field interaction of localized surface plasmon polaritons for both the infinite lattice and ribbons. Naturally, the interaction of point dipoles decouples into independent out-of-plane and in-plane polarizations. For the out-of-plane modes, both the bulk spectrum and the range of the momentum k∥ where edge states exist in ribbons are similar to the electronic bands in graphene. Nevertheless, the in-plane polarized modes show significant differences, which do not only possess additional non-flat edge states in ribbons, but also have different distributions of the flat edge states in reciprocal space. For in-plane polarized modes, we derived the bulk-edge correspondence, namely, the relation between the number of flat edge states at a fixed k∥, Zak phases of the bulk bands and the winding number associated with the bulk hamiltonian, and verified it through four typical ribbon boundaries, i.e. zigzag, bearded zigzag, armchair, and bearded armchair. Our approach gives a new topological understanding of edge states in such plasmonic systems, and may also apply to other 2D vector wave systems.

The existence of topological edge states in honeycomb plasmonic lattices

NASA Astrophysics Data System (ADS)

Wang, Li; Zhang, Ruo-Yang; Xiao, Meng; Han, Dezhuan; Chan, C. T.; Wen, Weijia

2016-10-01

In this paper, we investigate the band properties of 2D honeycomb plasmonic lattices consisting of metallic nanoparticles. By means of the coupled dipole method and quasi-static approximation, we theoretically analyze the band structures stemming from near-field interaction of localized surface plasmon polaritons for both the infinite lattice and ribbons. Naturally, the interaction of point dipoles decouples into independent out-of-plane and in-plane polarizations. For the out-of-plane modes, both the bulk spectrum and the range of the momentum k ∥ where edge states exist in ribbons are similar to the electronic bands in graphene. Nevertheless, the in-plane polarized modes show significant differences, which do not only possess additional non-flat edge states in ribbons, but also have different distributions of the flat edge states in reciprocal space. For in-plane polarized modes, we derived the bulk-edge correspondence, namely, the relation between the number of flat edge states at a fixed {k}\\parallel , Zak phases of the bulk bands and the winding number associated with the bulk Hamiltonian, and verified it through four typical ribbon boundaries, i.e. zigzag, bearded zigzag, armchair, and bearded armchair. Our approach gives a new topological understanding of edge states in such plasmonic systems, and may also apply to other 2D ‘vector wave’ systems.

Rotational Quenching Study in Isovalent H+ + CO and H+ + CS Systems

NASA Astrophysics Data System (ADS)

Kaur, Rajwant; Dhilip Kumar, T. J.

2016-06-01

Cooling and trapping of polar molecules has attracted attention at cold and ultracold temperatures. Extended study of molecular inelastic collision processes of polar interstellar species with proton finds an important astrophysical application to model interstellar medium. Present study includes computation of rate coefficient for molecular rotational quenching process in proton collision with isovalent CO and CS molecules using quantum dynamical close-coupling calculations. Full dimensional ab initio potential energy surfaces have been computed for the ground state for both the systems using internally contracted multireference configuration interaction method and basis sets. Quantum scattering calculations for rotational quenching of isovalent species are studied in the rigid-rotor approximation with CX (X=O, S) bond length fixed at an experimental equilibrium value of 2.138 and 2.900 a.u., respectively. Asymptotic potentials are computed using the dipole and quadrupole moments, and the dipole polarizability components. The resulting long-range potentials with the short-range ab initio interaction potentials have been fitted to study the anisotropy of the rigid-rotor surface using the multipolar expansion coefficients. Rotational quenching cross-section and corresponding rates from j=4 level of CX to lower j' levels have been obtained and found to obey Wigner's threshold law at ultra cold temperatures.

Implementation of Magnetic Dipole Interaction in the Planewave-Basis Approach for Slab Systems

NASA Astrophysics Data System (ADS)

Oda, Tatsuki; Obata, Masao

2018-06-01

We implemented the magnetic dipole interaction (MDI) in a first-principles planewave-basis electronic structure calculation based on spin density functional theory. This implementation, employing the two-dimensional Ewald summation, enables us to obtain the total magnetic anisotropy energy of slab materials with contributions originating from both spin-orbit and magnetic dipole-dipole couplings on the same footing. The implementation was demonstrated using an iron square lattice. The result indicates that the magnetic anisotropy of the MDI is much less than that obtained from the atomic magnetic moment model due to the prolate quadrupole component of the spin magnetic moment density. We discuss the reduction in the anisotropy of the MDI in the case of modulation of the quadrupole component and the effect of magnetic field arising from the MDI on atomic scale.

Extinction efficiencies from DDA calculations solved for finite circular cylinders and disks

NASA Technical Reports Server (NTRS)

Withrow, J. R.; Cox, S. K.

1993-01-01

One of the most commonly noted uncertainties with respect to the modeling of cirrus clouds and their effect upon the planetary radiation balance is the disputed validity of the use of Mie scattering results as an approximation to the scattering results of the hexagonal plates and columns found in cirrus clouds. This approximation has historically been a kind of default, a result of the lack of an appropriate analytical solution of Maxwell's equations to particles other than infinite cylinders and spheroids. Recently, however, the use of such approximate techniques as the Discrete Dipole Approximation has made scattering solutions on such particles a computationally intensive but feasible possibility. In this study, the Discrete Dipole Approximation (DDA) developed by Flatau (1992) is used to find such solutions for homogeneous, circular cylinders and disks. This can serve to not only assess the validity of the current radiative transfer schemes which are available for the study of cirrus but also to extend the current approximation of equivalent spheres to an approximation of second order, homogeneous finite circular cylinders and disks. The results will be presented in the form of a single variable, the extinction efficiency.

Theory of elastic interaction between arbitrary colloidal particles in confined nematic liquid crystals.

PubMed

Tovkach, O M; Chernyshuk, S B; Lev, B I

2012-12-01

We develop the method proposed by Chernyshuk and Lev [Phys. Rev. E 81, 041701 (2010)] for theoretical investigation of elastic interactions between colloidal particles of arbitrary shape and chirality (polar as well as azimuthal anchoring) in the confined nematic liquid crystal (NLC). General expressions for six different types of multipole elastic interactions are obtained in the confined NLC: monopole-monopole (Coulomb type), monopole-dipole, monopole-quadrupole, dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole interactions. The obtained formulas remain valid in the presence of the external electric or magnetic fields. The exact equations are found for all multipole coefficients for the weak anchoring case. For the strong anchoring coupling, the connection between the symmetry of the shape or director and multipole coefficients is obtained, which enables us to predict which multipole coefficients vanish and which remain nonzero. The particles with azimuthal helicoid anchoring are considered as an example. Dipole-dipole interactions between helicoid cylinders and cones are found in the confined NLC. In addition, the banana-shaped particles in homeotropic and planar nematic cells are considered. It is found that the dipole-dipole interaction between banana-shaped particles differs greatly from the dipole-dipole interaction between the axially symmetrical particles in the nematic cell. There is a crossover from attraction to repulsion between banana particles along some directions in nematic cells. It is shown that monopoles do not "feel" the type of nematic cell: monopole-monopole interaction turns out to be the same in homeotropic and planar nematic cells and converges to the Coulomb law as thickness increases, L→∞.

The fractionated dipole antenna: A new antenna for body imaging at 7 Tesla.

PubMed

Raaijmakers, Alexander J E; Italiaander, Michel; Voogt, Ingmar J; Luijten, Peter R; Hoogduin, Johannes M; Klomp, Dennis W J; van den Berg, Cornelis A T

2016-03-01

Dipole antennas in ultrahigh field MRI have demonstrated advantages over more conventional designs. In this study, the fractionated dipole antenna is presented: a dipole where the legs are split into segments that are interconnected by capacitors or inductors. A parameter study has been performed on dipole antenna length using numerical simulations. A subsequent simulation study investigates the optimal intersegment capacitor/inductor value. The resulting optimal design has been constructed and compared to a previous design, the single-side adapted dipole (SSAD) by simulations and measurements. An array of eight elements has been constructed for prostate imaging on four subjects (body mass index 20-27.5) using 8 × 2 kW amplifiers. For prostate imaging at 7T, lowest peak local specific-absorption rate (SAR) levels are achieved if the antenna is 30 cm or longer. A fractionated dipole antenna design with inductors between segments has been chosen to achieve even lower SAR levels and more homogeneous receive sensitivities. With the new design, good quality prostate images are acquired. SAR levels are reduced by 41% to 63% in comparison to the SSAD. Coupling levels are moderate (average nearest neighbor: -14.6 dB) for each subject and prostate B1+ levels range from 12 to 18 μT. © 2015 Wiley Periodicals, Inc.

Unidirectional emission in an all-dielectric nanoantenna

NASA Astrophysics Data System (ADS)

Feng, Tianhua; Zhang, Wei; Liang, Zixian; Xu, Yi

2018-03-01

All-dielectric nanoantennas are a promising alternative to plasmonic optical antennas for engineering light emission because of their low-loss nature in the optical spectrum. Nevertheless, it is still challenging to manipulate directional light emission with subwavelength all-dielectric nanoantennas. Here, we propose and numerically demonstrate that a hollow silicon nanodisk can serve as a versatile antenna for directing and enhancing the emission from either an electric or magnetic dipole emitter. When primarily coupled to both electric and magnetic dipole modes of a nanoantenna, broadband nearly-unidirectional emission can be realized by the interference of two modes, which can be spectrally tuned via the geometric parameters in an easy way. More importantly, the emission directions for the magnetic and electric dipole emitters are shown as opposite to each other through control of the phase difference between the induced magnetic and electric dipole modes of the antenna. Meanwhile, the Purcell factors can be enhanced by more than one order of magnitude and high quantum efficiencies can be maintained at the visible spectrum for both kinds of dipole emitters. We further show that these unidirectional emission phenomena can withstand small disorder effects of in-plane dipole orientation and location. Our study provides a simple yet versatile platform that can shape the emission of both magnetic and electric dipole emitters.

Core-core and core-valence correlation

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

1988-01-01

The effect of 1s core correlation on properties and energy separations are analyzed using full configuration-interaction (FCI) calculations. The Be1S - 1P, the C 3P - 5S,m and CH(+) 1Sigma(+) - 1Pi separations, and CH(+) spectroscopic constants, dipole moment, and 1Sigma(+) - 1Pi transition dipole moment have been studied. The results of the FCI calculations are compared to those obtained using approximate methods.

Separation of Pygmy Dipole and M1 Resonances in Zr90 by a High-Resolution Inelastic Proton Scattering Near 0°

NASA Astrophysics Data System (ADS)

Iwamoto, C.; Utsunomiya, H.; Tamii, A.; Akimune, H.; Nakada, H.; Shima, T.; Yamagata, T.; Kawabata, T.; Fujita, Y.; Matsubara, H.; Shimbara, Y.; Nagashima, M.; Suzuki, T.; Fujita, H.; Sakuda, M.; Mori, T.; Izumi, T.; Okamoto, A.; Kondo, T.; Bilgier, B.; Kozer, H. C.; Lui, Y.-W.; Hatanaka, K.

2012-06-01

A high-resolution measurement of inelastic proton scattering off Zr90 near 0° was performed at 295 MeV with a focus on a pronounced strength previously reported in the low-energy tail of giant dipole resonance. A forest of fine structure was observed in the excitation energy region 7-12 MeV. A multipole decomposition analysis of the angular distribution for the forest was carried out using the ECIS95 distorted-wave Born approximation code with the Hartree-Fock plus random-phase approximation model of E1 and M1 transition densities and inclusion of E1 Coulomb excitation. The analysis separated pygmy dipole and M1 resonances in the forest at EPDR=9.15±0.18MeV with ΓPDR=2.91±0.64MeV and at EM1=9.53±0.06MeV with ΓM1=2.70±0.17MeV in the Lorentzian function, respectively. The B(E1)↑ value for pygmy dipole resonance over 7-11 MeV is 0.75±0.08e2fm2, which corresponds to 2.1±0.2% of the Thomas-Reiche-Kuhn sum rule.

Low-lying dipole response in the stable 40,48Ca nuclei within the second random-phase approximation

NASA Astrophysics Data System (ADS)

Gambacurta, D.; Grasso, M.; Catara, F.

2012-10-01

The low-lying dipole strength distributions of 40CaCa and 48Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transition densities.

Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Yuanhang; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu

2015-07-28

Three-body and higher intermolecular interactions can play an important role in molecular condensed phases. Recent benchmark calculations found problematic behavior for many widely used density functional approximations in treating 3-body intermolecular interactions. Here, we demonstrate that the combination of second-order Møller-Plesset (MP2) perturbation theory plus short-range damped Axilrod-Teller-Muto (ATM) dispersion accurately describes 3-body interactions with reasonable computational cost. The empirical damping function used in the ATM dispersion term compensates both for the absence of higher-order dispersion contributions beyond the triple-dipole ATM term and non-additive short-range exchange terms which arise in third-order perturbation theory and beyond. Empirical damping enables this simplemore » model to out-perform a non-expanded coupled Kohn-Sham dispersion correction for 3-body intermolecular dispersion. The MP2 plus ATM dispersion model approaches the accuracy of O(N{sup 6}) methods like MP2.5 or even spin-component-scaled coupled cluster models for 3-body intermolecular interactions with only O(N{sup 5}) computational cost.« less

Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-

NASA Astrophysics Data System (ADS)

Lyle, Justin; Mabbs, Richard

2017-06-01

The Cyanomethyl Anion, CH_{2}CN-, and neutral radical have been studied extensively, with several findings of autodetachment about the totally symmetric transition, as well as high resolution experiments revealing symmetrically forbidden and weak vibrational features. We report photoelectron spectra using the Velocity-Mapped Imaging Technique in 1-2 \\wn increments over a range of 13460 to 15384 \\wn that has not been previously examined. These spectra include excitation of the ground state cyanomethyl anion into the direct detachment thresholds of previously reported vibrational modes for the neutral radical. Significant variations from Franck-Condon behavior were observed in the branching ratios for resolved vibrational features for excitation in the vicinity of the thresholds involving the νb{3} and νb{5} modes. These are consistent with autodetachment from rovibrational levels of a dipole bound state acting as a resonance in the detachment continuum. The autodetachment channels involve single changes in vibrational quantum number, consistent with the vibrational propensity rule but in some cases reveal relaxation to a different vibrational mode indicating coupling between the modes and/or a breakdown of the normal mode approximation.

Indian Ocean Dipolelike Variability in the CSIRO Mark 3 Coupled Climate Model.

NASA Astrophysics Data System (ADS)

Cai, Wenju; Hendon, Harry H.; Meyers, Gary

2005-05-01

Coupled ocean-atmosphere variability in the tropical Indian Ocean is explored with a multicentury integration of the Commonwealth Scientific and Industrial Research Organisation (CSIRO) Mark 3 climate model, which runs without flux adjustment. Despite the presence of some common deficiencies in this type of coupled model, zonal dipolelike variability is produced. During July through November, the dominant mode of variability of sea surface temperature resembles the observed zonal dipole and has out-of-phase rainfall variations across the Indian Ocean basin, which are as large as those associated with the model El Niño-Southern Oscillation (ENSO). In the positive dipole phase, cold SST anomaly and suppressed rainfall south of the equator on the Sumatra-Java coast drives an anticyclonic circulation anomaly that is consistent with the steady response (Gill model) to a heat sink displaced south of the equator. The northwest-southeast tilting Sumatra-Java coast results in cold sea surface temperature (SST) centered south of the equator, which forces anticylonic winds that are southeasterly along the coast, which thus produces local upwelling, cool SSTs, and promotes more anticylonic winds; on the equator, the easterlies raise the thermocline to the east via upwelling Kelvin waves and deepen the off-equatorial thermocline to the west via off-equatorial downwelling Rossby waves. The model dipole mode exhibits little contemporaneous relationship with the model ENSO; however, this does not imply that it is independent of ENSO. The model dipole often (but not always) develops in the year following El Niño. It is triggered by an unrealistic transmission of the model's ENSO discharge phase through the Indonesian passages. In the model, the ENSO discharge Rossby waves arrive at the Sumatra-Java coast some 6 to 9 months after an El Niño peaks, causing the majority of model dipole events to peak in the year after an ENSO warm event. In the observed ENSO discharge, Rossby waves arrive at the Australian northwest coast. Thus the model Indian Ocean dipolelike variability is triggered by an unrealistic mechanism. The result highlights the importance of properly representing the transmission of Pacific Rossby waves and Indonesian throughflow in the complex topography of the Indonesian region in coupled climate models.

Harmonic generation with an ultra-strongly coupled cavity polariton

NASA Astrophysics Data System (ADS)

Crescimanno, Michael; Singer, Kenneth; Liu, Bin; McMaster, Michael

2017-04-01

The large dipole density in a new class of glassy organic dyes results in ultrastrong exciton-cavity field coupling leading to polariton splittings of over an eV. We describe the theoretical model and experimental protocol used to understand third harmonic generation (THG) in this system. We quantify the THG enhancement at the polariton branches through its dependence on coupling, cavity-exciton detuning and cavity finesse.

Atom-field dressed states in slow-light waveguide QED

NASA Astrophysics Data System (ADS)

Calajó, Giuseppe; Ciccarello, Francesco; Chang, Darrick; Rabl, Peter

2016-03-01

We discuss the properties of atom-photon bound states in waveguide QED systems consisting of single or multiple atoms coupled strongly to a finite-bandwidth photonic channel. Such bound states are formed by an atom and a localized photonic excitation and represent the continuum analog of the familiar dressed states in single-mode cavity QED. Here we present a detailed analysis of the linear and nonlinear spectral features associated with single- and multiphoton dressed states and show how the formation of bound states affects the waveguide-mediated dipole-dipole interactions between separated atoms. Our results provide both a qualitative and quantitative description of the essential strong-coupling processes in waveguide QED systems, which are currently being developed in the optical and microwave regimes.

Selective protected state preparation of coupled dissipative quantum emitters

PubMed Central

Plankensteiner, D.; Ostermann, L.; Ritsch, H.; Genes, C.

2015-01-01

Inherent binary or collective interactions in ensembles of quantum emitters induce a spread in the energy and lifetime of their eigenstates. While this typically causes fast decay and dephasing, in many cases certain special entangled collective states with minimal decay can be found, which possess ideal properties for spectroscopy, precision measurements or information storage. We show that for a specific choice of laser frequency, power and geometry or a suitable configuration of control fields one can efficiently prepare these states. We demonstrate this by studying preparation schemes for strongly subradiant entangled states of a chain of dipole-dipole coupled emitters. The prepared state fidelity and its entanglement depth is further improved via spatial excitation phase engineering or tailored magnetic fields. PMID:26549501

Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems.

PubMed

Chang, Zhiwei; Halle, Bertil

2016-02-28

In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

Cyclic Evolution of Coronal Fields from a Coupled Dynamo Potential-Field Source-Surface Model.

PubMed

Dikpati, Mausumi; Suresh, Akshaya; Burkepile, Joan

The structure of the Sun's corona varies with the solar-cycle phase, from a near spherical symmetry at solar maximum to an axial dipole at solar minimum. It is widely accepted that the large-scale coronal structure is governed by magnetic fields that are most likely generated by dynamo action in the solar interior. In order to understand the variation in coronal structure, we couple a potential-field source-surface model with a cyclic dynamo model. In this coupled model, the magnetic field inside the convection zone is governed by the dynamo equation; these dynamo-generated fields are extended from the photosphere to the corona using a potential-field source-surface model. Assuming axisymmetry, we take linear combinations of associated Legendre polynomials that match the more complex coronal structures. Choosing images of the global corona from the Mauna Loa Solar Observatory at each Carrington rotation over half a cycle (1986 - 1991), we compute the coefficients of the associated Legendre polynomials up to degree eight and compare with observations. We show that at minimum the dipole term dominates, but it fades as the cycle progresses; higher-order multipolar terms begin to dominate. The amplitudes of these terms are not exactly the same for the two limbs, indicating that there is a longitude dependence. While both the 1986 and the 1996 minimum coronas were dipolar, the minimum in 2008 was unusual, since there was a substantial departure from a dipole. We investigate the physical cause of this departure by including a North-South asymmetry in the surface source of the magnetic fields in our flux-transport dynamo model, and find that this asymmetry could be one of the reasons for departure from the dipole in the 2008 minimum.

Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems

NASA Astrophysics Data System (ADS)

Chang, Zhiwei; Halle, Bertil

2016-02-01

In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

NMR Evidences of the Coupling between Conduction Electrons and Molecular Degrees of Freedom in the Exotic Member of the Bechgaard Salt (TMTSF)2FSO3

NASA Astrophysics Data System (ADS)

Satsukawa, Hidetaka; Yajima, Akio; Hiraki, Ko-ichi; Takahashi, Toshihiro; Kang, Haeyong; Jo, Younjung; Kang, Woun; Chung, Ok-Hee

2016-12-01

We performed 77Se- and 19F-NMR measurements on single crystals of (TMTSF)2FSO3 to characterize the electronic structures of different phases in the temperature-pressure phase diagram, determined by precise transport measurements [Jo et al., Phys. Rev. B 67, 014516 (2003)]. We claim that such varieties of electronic states in the refined phase diagram are caused by strong couplings of the conduction electrons with FSO3 anions, especially with the permanent electric dipoles on the anions. We suggest that as temperature decreases, the FSO3 anions form orientational ordering through two steps; first, only the tetrahedrons form an orientational order leaving the orientations of the electronic dipoles in random (transition I); then the dipoles form a perfect orientational order at a lower temperature (transition II). In the intermediate temperature range between transitions I and II, we found an appreciable enhancement of homogeneous and inhomogeneous widths of the 77Se-NMR spectrum. From the analysis of the angular dependence of the linewidth, we attributed these anomalies to the intramolecular charge disproportionation or imbalance and its slow dynamics caused by the coupling with the permanent electric dipole of the anion. Results of 19F-NMR relaxation and lineshape measurements support this picture very well. Electronic structures at higher pressures up to 1.25 GPa are discussed on the basis of the results of the 77Se- and 19F-NMR measurements.

Morphology and mixing state of aged soot particles at a remote marine free troposphere site: Implications for optical properties

DOE PAGES

China, Swarup; Scarnato, Barbara; Owen, Robert C.; ...

2015-01-14

The radiative properties of soot particles depend on their morphology and mixing state, but their evolution during transport is still elusive. In this paper, we report observations from an electron microscopy analysis of individual particles transported in the free troposphere over long distances to the remote Pico Mountain Observatory in the Azores in the North Atlantic. Approximately 70% of the soot particles were highly compact and of those 26% were thinly coated. Discrete dipole approximation simulations indicate that this compaction results in an increase in soot single scattering albedo by a factor of ≤2.17. The top of the atmosphere directmore » radiative forcing is typically smaller for highly compact than mass-equivalent lacy soot. Lastly, the forcing estimated using Mie theory is within 12% of the forcing estimated using the discrete dipole approximation for a high surface albedo, implying that Mie calculations may provide a reasonable approximation for compact soot above remote marine clouds.« less

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules

DOE PAGES

Yu, Hua-Gen

2015-01-28

We report a rigorous full dimensional quantum dynamics algorithm, the multi-layer Lanczos method, for computing vibrational energies and dipole transition intensities of polyatomic molecules without any dynamics approximation. The multi-layer Lanczos method is developed by using a few advanced techniques including the guided spectral transform Lanczos method, multi-layer Lanczos iteration approach, recursive residue generation method, and dipole-wavefunction contraction. The quantum molecular Hamiltonian at the total angular momentum J = 0 is represented in a set of orthogonal polyspherical coordinates so that the large amplitude motions of vibrations are naturally described. In particular, the algorithm is general and problem-independent. An applicationmore » is illustrated by calculating the infrared vibrational dipole transition spectrum of CH₄ based on the ab initio T8 potential energy surface of Schwenke and Partridge and the low-order truncated ab initio dipole moment surfaces of Yurchenko and co-workers. A comparison with experiments is made. The algorithm is also applicable for Raman polarizability active spectra.« less

The decay pattern of the Pygmy Dipole Resonance of 140Ce

NASA Astrophysics Data System (ADS)

Löher, B.; Savran, D.; Aumann, T.; Beller, J.; Bhike, M.; Cooper, N.; Derya, V.; Duchêne, M.; Endres, J.; Hennig, A.; Humby, P.; Isaak, J.; Kelley, J. H.; Knörzer, M.; Pietralla, N.; Ponomarev, V. Yu.; Romig, C.; Scheck, M.; Scheit, H.; Silva, J.; Tonchev, A. P.; Tornow, W.; Wamers, F.; Weller, H.; Werner, V.; Zilges, A.

2016-05-01

The decay properties of the Pygmy Dipole Resonance (PDR) have been investigated in the semi-magic N = 82 nucleus 140Ce using a novel combination of nuclear resonance fluorescence and γ-γ coincidence techniques. Branching ratios for transitions to low-lying excited states are determined in a direct and model-independent way both for individual excited states and for excitation energy intervals. Comparison of the experimental results to microscopic calculations in the quasi-particle phonon model exhibits an excellent agreement, supporting the observation that the Pygmy Dipole Resonance couples to the ground state as well as to low-lying excited states. A 10% mixing of the PDR and the [21+ × PDR ] is extracted.

Theoretical study of the electric dipole moment function of the ClO molecule

NASA Technical Reports Server (NTRS)

Pettersson, L. G. M.; Langhoff, S. R.; Chong, D. P.

1986-01-01

The potential energy function and electric dipole moment function (EDMF) are computed for ClO X 2Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 + or - 2 per sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Theoretical study of the dipole moments of selected alkaline-earth halides

NASA Technical Reports Server (NTRS)

Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.; Ahlrichs, R.

1986-01-01

Ab initio calculations at the self-consistent-field (SCF), singles-plus-doubles configuration-interaction (SDCI), and coupled-pair functional (CPF) level, are reported for the dipole moments and dipole derivatives of the X2Sigma(+) ground states of BeF, BeCl, MgF, MgCl, CaF, CaCl, and SrF. For comparison, analogous calculations are performed for the X1Sigma(+) state of KCl. The CPF results are found to be in remarkably better agreement with experiment than are the SCF and SDCI results. Apparently higher excitations are required to properly describe the radial extent along the bond axis of the remaining valence electron on the alkaline-earth metal.

Pulsed Artificial Electrojet Generation

NASA Astrophysics Data System (ADS)

Papadopoulos, K.

2008-12-01

Traditional techniques for generating low frequency signals in the ULF/ELF range (.1-100 Hz) and rely on ground based Horizontal Electric Dipole (HED) antennas. It is, furthermore, well known that a Vertical Electric Dipole (VED) is by more than 50 dB more efficient than a HED with the same dipole current moment. However, the prohibitively long length of VED antennas in the ELF/ULF range coupled with voltage limitations due to corona discharge in the atmosphere make them totally impracticable. In this paper we discuss a novel concept, inspired by the physics of the equatorial electrojet, that allows for the conversion of a ground based HED to a VED in the E-region of the equatorial ionosphere with current moment comparable to the driving HED. The paper focuses in locations near the dip-equator, where the earth's magnetic is in predominantly in the horizontal direction. The horizontal electric field associated with a pulsed HED drives a large Hall current in the ionospheric E-region, resulting in a vertical current. It is shown that the pulsed vertical current in the altitude range 80-130 km, driven by a horizontal electric field of, approximately, .1 mV/m at 100 km altitude, is of the order of kA. This results in a pulsed VED larger than 106 A-m. Such a pulsed VED will drive ELF/ULF pulses with amplitude in excess of .1 nT at a lateral range larger than few hundred kilometers. This is by three orders of magnitude larger than the one expected by a HED with comparable current moment. The paper will conclude with the description of a sneak-through technique that allows for creating pulsed electric fields in the ionosphere much larger than expected from steady state oscillatory HED antennas.

Fingering instabilities and pattern formation in a two-component dipolar Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Xi, Kui-Tian; Byrnes, Tim; Saito, Hiroki

2018-02-01

We study fingering instabilities and pattern formation at the interface of an oppositely polarized two-component Bose-Einstein condensate with strong dipole-dipole interactions in three dimensions. It is shown that the rotational symmetry is spontaneously broken by fingering instability when the dipole-dipole interactions are strengthened. Frog-shaped and mushroom-shaped patterns emerge during the dynamics due to the dipolar interactions. We also demonstrate the spontaneous density modulation and domain growth of a two-component dipolar BEC in the dynamics. Bogoliubov analyses in the two-dimensional approximation are performed, and the characteristic lengths of the domains are estimated analytically. Patterns resembling those in magnetic classical fluids are modulated when the number ratio of atoms, the trap ratio of the external potential, or tilted polarization with respect to the z direction is varied.

Implementation of the incremental scheme for one-electron first-order properties in coupled-cluster theory.

PubMed

Friedrich, Joachim; Coriani, Sonia; Helgaker, Trygve; Dolg, Michael

2009-10-21

A fully automated parallelized implementation of the incremental scheme for coupled-cluster singles-and-doubles (CCSD) energies has been extended to treat molecular (unrelaxed) first-order one-electron properties such as the electric dipole and quadrupole moments. The convergence and accuracy of the incremental approach for the dipole and quadrupole moments have been studied for a variety of chemically interesting systems. It is found that the electric dipole moment can be obtained to within 5% and 0.5% accuracy with respect to the exact CCSD value at the third and fourth orders of the expansion, respectively. Furthermore, we find that the incremental expansion of the quadrupole moment converges to the exact result with increasing order of the expansion: the convergence of nonaromatic compounds is fast with errors less than 16 mau and less than 1 mau at third and fourth orders, respectively (1 mau=10(-3)ea(0)(2)); the aromatic compounds converge slowly with maximum absolute deviations of 174 and 72 mau at third and fourth orders, respectively.

Electric field control of magnetic states in isolated and dipole-coupled FeGa nanomagnets delineated on a PMN-PT substrate.

PubMed

Ahmad, Hasnain; Atulasimha, Jayasimha; Bandyopadhyay, Supriyo

2015-10-09

We report observation of a 'non-volatile' converse magneto-electric effect in elliptical FeGa nanomagnets delineated on a piezoelectric PMN-PT substrate. The nanomagnets are first magnetized with a magnetic field directed along their nominal major axes. Subsequent application of a strong electric field across the piezoelectric substrate generates strain in the substrate, which is partially transferred to the nanomagnets and rotates the magnetizations of some of them away from their initial orientations. The rotated magnetizations remain in their new orientations after the field is removed, resulting in 'non-volatility'. In isolated nanomagnets, the magnetization rotates by <90° upon application of the electric field, but in a dipole-coupled pair consisting of one 'hard' and one 'soft' nanomagnet, which are both initially magnetized in the same direction by the magnetic field, the soft nanomagnet's magnetization rotates by [Formula: see text] upon application of the electric field because of the dipole influence of the hard nanomagnet. This effect can be utilized for a nanomagnetic NOT logic gate.

The dark side of plasmonics.

PubMed

Gómez, D E; Teo, Z Q; Altissimo, M; Davis, T J; Earl, S; Roberts, A

2013-08-14

Plasmonic dark modes are pure near-field modes that can arise from the plasmon hybridization in a set of interacting nanoparticles. When compared to bright modes, dark modes have longer lifetimes due to their lack of a net dipole moment, making them attractive for a number of applications. We demonstrate the excitation and optical detection of a collective dark plasmonic mode from individual plasmonic trimers. The trimers consist of triangular arrangements of gold nanorods, and due to this symmetry, the lowest-energy dark plasmonic mode can interact with radially polarized light. The experimental data presented confirm the excitation of this mode, and its assignment is supported with an electrostatic approximation wherein these dark modes are described in terms of plasmon hybridization. The strong confinement of energy in these modes and their associated near fields hold great promise for achieving strong coupling to single photon emitters.

Simulations of resonant Raman response in bundles of semiconductor carbon nanotubes

NASA Astrophysics Data System (ADS)

Roslyak, Oleksiy; Doorn, Stephen; Haroz, Erik; Duque, Juan; Crochet, Jared; Telg, Hagen; Hight Walker, Angela; Simpson, Jeffrey; Piryatinski, Andrei

This work is motivated by experimental study of resonant Raman response associated with E22 exciton state coupled to G+-mode vibrational mode in bundles of (6,5) semiconductor carbon nanotubes. In order to provide an insight into experimental data, we model Raman excitation spectra using our modified discrete dipole approximation (DDA) method. The calculations account for the exciton states polarized along and across the nanotube axis that are characterized by a small energy splitting. Strong polarization of the nanotubes forming the bundle results in the exciton state mixing whose spectroscopic signatures such as peaks positions, line widths, and depolarization ratio are calculated and compared to the experiment. Furthermore, the effects of the energy and structural disorder, as well as structural defects within the bundle are also examined and compared with the experimental data.

Improvement of solar-cycle prediction: Plateau of solar axial dipole moment

NASA Astrophysics Data System (ADS)

Iijima, H.; Hotta, H.; Imada, S.; Kusano, K.; Shiota, D.

2017-11-01

Aims: We report the small temporal variation of the axial dipole moment near the solar minimum and its application to the solar-cycle prediction by the surface flux transport (SFT) model. Methods: We measure the axial dipole moment using the photospheric synoptic magnetogram observed by the Wilcox Solar Observatory (WSO), the ESA/NASA Solar and Heliospheric Observatory Michelson Doppler Imager (MDI), and the NASA Solar Dynamics Observatory Helioseismic and Magnetic Imager (HMI). We also use the SFT model for the interpretation and prediction of the observed axial dipole moment. Results: We find that the observed axial dipole moment becomes approximately constant during the period of several years before each cycle minimum, which we call the axial dipole moment plateau. The cross-equatorial magnetic flux transport is found to be small during the period, although a significant number of sunspots are still emerging. The results indicate that the newly emerged magnetic flux does not contribute to the build up of the axial dipole moment near the end of each cycle. This is confirmed by showing that the time variation of the observed axial dipole moment agrees well with that predicted by the SFT model without introducing new emergence of magnetic flux. These results allow us to predict the axial dipole moment at the Cycle 24/25 minimum using the SFT model without introducing new flux emergence. The predicted axial dipole moment at the Cycle 24/25 minimum is 60-80 percent of Cycle 23/24 minimum, which suggests the amplitude of Cycle 25 is even weaker than the current Cycle 24. Conclusions: The plateau of the solar axial dipole moment is an important feature for the longer-term prediction of the solar cycle based on the SFT model.

Theoretical Study of the Electric Dipole Moment Function of the CIO Molecule

NASA Technical Reports Server (NTRS)

Pettersson, Lars G. M.; Langhoff, Stephen R.; Chong, Delano P.

1986-01-01

The potential energy function and electric dipole moment function (EDMF) are computed for CIO Chi(sup 2)Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. Remaining questions concerning the position of the maximum of the EDMF may be resolved through experimental measurement of dipole moments of higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 +/- 2 /sq cm atm in good agreement with three experimental values, but larger than a recent value of 5 /sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Molecular physics. Production of trilobite Rydberg molecule dimers with kilo-Debye permanent electric dipole moments.

PubMed

Booth, D; Rittenhouse, S T; Yang, J; Sadeghpour, H R; Shaffer, J P

2015-04-03

Permanent electric dipole moments are important for understanding symmetry breaking in molecular physics, control of chemical reactions, and realization of strongly correlated many-body quantum systems. However, large molecular permanent electric dipole moments are challenging to realize experimentally. We report the observation of ultralong-range Rydberg molecules with bond lengths of ~100 nanometers and kilo-Debye permanent electric dipole moments that form when an ultracold ground-state cesium (Cs) atom becomes bound within the electronic cloud of an extended Cs electronic orbit. The electronic character of this hybrid class of "trilobite" molecules is dominated by degenerate Rydberg manifolds, making them difficult to produce by conventional photoassociation. We used detailed coupled-channel calculations to reproduce their properties quantitatively. Our findings may lead to progress in ultracold chemistry and strongly correlated many-body physics. Copyright © 2015, American Association for the Advancement of Science.

Storm time plasma transport in a unified and inter-coupled global magnetosphere model

NASA Astrophysics Data System (ADS)

Ilie, R.; Liemohn, M. W.; Toth, G.

2014-12-01

We present results from the two-way self-consistent coupling between the kinetic Hot Electron and Ion Drift Integrator (HEIDI) model and the Space Weather Modeling Framework (SWMF). HEIDI solves the time dependent, gyration and bounced averaged kinetic equation for the phase space density of different ring current species and computes full pitch angle distributions for all local times and radial distances. During geomagnetic times the dipole approximation becomes unsuitable even in the inner magnetosphere. Therefore the HEIDI model was generalized to accommodate an arbitrary magnetic field and through the coupling with SWMF it obtains a magnetic field description throughout the HEIDI domain along with a plasma distribution at the model outer boundary from the Block Adaptive Tree Solar Wind Roe Upwind Scheme (BATS-R-US) magnetohydrodynamics (MHD) model within SWMF. Electric field self-consistency is assured by the passing of convection potentials from the Ridley Ionosphere Model (RIM) within SWMF. In this study we test the various levels of coupling between the 3 physics based models, highlighting the role that the magnetic field, plasma sheet conditions and the cross polar cap potential play in the formation and evolution of the ring current. We show that the dynamically changing geospace environment itself plays a key role in determining the geoeffectiveness of the driver. The results of the self-consistent coupling between HEIDI, BATS-R-US and RIM during disturbed conditions emphasize the importance of a kinetic self-consistent approach to the description of geospace.

High-mass diffraction in the QCD dipole picture

NASA Astrophysics Data System (ADS)

Bialas, A.; Navelet, H.; Peschanski, R.

1998-05-01

Using the QCD dipole picture of the BFKL pomeron, the cross-section of single diffractive dissociation of virtual photons at high energy and large diffractively excited masses is calculated. The calculation takes into account the full impact-parameter phase-space and thus allows to obtain an exact value of the triple BFKL Pomeron vertex. It appears large enough to compensate the perturbative 6-gluon coupling factor (α/π)3 thus suggesting a rather appreciable diffractive cross-section.

Quadrupole-Quadrupole Interactions to Control Plasmon-Induced Transparency

NASA Astrophysics Data System (ADS)

Rana, Goutam; Deshmukh, Prathmesh; Palkhivala, Shalom; Gupta, Abhishek; Duttagupta, S. P.; Prabhu, S. S.; Achanta, VenuGopal; Agarwal, G. S.

2018-06-01

Radiative dipolar resonance with Lorentzian line-shape induces the otherwise dark quadrupolar resonances resulting in electromagnetically induced transparency (EIT). The two interfering excitation pathways of the dipole are earlier shown to result in a Fano line shape with a high figure of merit suitable for sensing. In metamaterials made of metal nanorods or antennas, the plasmonic EIT (PIT) efficiency depends on the overlap of the dark and bright mode spectra as well as the asymmetry resulting from the separation between the monomer (dipole) and dimer (quadrupole) that governs the coupling strength. Increasing asymmetry in these structures leads to the reduction of the figure of merit due to a broadening of the Fano resonance. We demonstrate a PIT system in which the simultaneous excitation of two dipoles result in double PIT. The corresponding two quadrupoles interact and control the quality factor (Q ) of the PIT resonance. We show an antiresonancelike symmetric line shape with nonzero asymmetry factors. The PIT resonance vanishes due to quadrupole-quadrupole coupling. A Q factor of more than 100 at 0.977 THz is observed, which is limited by the experimental resolution of 6 GHz. From polarization-dependent studies we show that the broadening of the Lorentzian resonance is due to scattering-induced excitation of orthogonally oriented dipoles in the monomer and dimer bars in the terahertz regime. The high Q factors in the terahertz frequency region demonstrated here are interesting for sensing application.

Polarizability extraction of complementary metamaterial elements in waveguides for aperture modeling

NASA Astrophysics Data System (ADS)

Pulido-Mancera, Laura; Bowen, Patrick T.; Imani, Mohammadreza F.; Kundtz, Nathan; Smith, David

2017-12-01

We consider the design and modeling of metasurfaces that couple energy from guided waves to propagating wave fronts. To this purpose, we develop a comprehensive, multiscale dipolar interpretation for large arrays of complementary metamaterial elements embedded in a waveguide structure. Within this modeling technique, the detailed electromagnetic response of each metamaterial element is replaced by a polarizable dipole, described by means of an effective polarizability. In this paper, we present two methods to extract this effective polarizability. The first method invokes surface equivalence principles, averaging over the effective surface currents and charges induced in the element's surface in order to obtain the effective dipole moments, from which the effective polarizability can be inferred. The second method is based in the coupled-mode theory, from which a direct relationship between the effective polarizability and the amplitude coefficients of the scattered waves can be deduced. We demonstrate these methods on several variants of waveguide-fed metasurface elements (both one- and two-dimensional waveguides), finding excellent agreement between the two, as well as with the analytical expressions derived for circular and elliptical irises. With the effective polarizabilities of the metamaterial elements accurately determined, the radiated fields generated by a waveguide-fed metasurface can be found self-consistently by including the interactions between polarizable dipoles. The dipole description provides an effective perspective and computational framework for engineering metasurface structures such as holograms, lenses, and beam-forming arrays, among others.

Induced CMB quadrupole from pointing offsets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moss, Adam; Scott, Douglas; Sigurdson, Kris, E-mail: adammoss@phas.ubc.ca, E-mail: dscott@phas.ubc.ca, E-mail: krs@phas.ubc.ca

2011-01-01

Recent claims in the literature have suggested that the WMAP quadrupole is not primordial in origin, and arises from an aliasing of the much larger dipole field because of incorrect satellite pointing. We attempt to reproduce this result and delineate the key physics leading to the effect. We find that, even if real, the induced quadrupole would be smaller than the WMAP value. We discuss reasons why the WMAP data are unlikely to suffer from this particular systematic effect, including the implications for observations of point sources. Given this evidence against the reality of the effect, the similarity between themore » pointing-offset-induced signal and the actual quadrupole then appears to be quite puzzling. However, we find that the effect arises from a convolution between the gradient of the dipole field and anisotropic coverage of the scan direction at each pixel. There is something of a directional conspiracy here — the dipole signal lies close to the Ecliptic Plane, and its direction, together with the WMAP scan strategy, results in a strong coupling to the Y{sub 2,−1} component in Ecliptic co-ordinates. The dominant strength of this component in the measured quadrupole suggests that one should exercise increased caution in interpreting its estimated amplitude. The Planck satellite has a different scan strategy which does not so directly couple the dipole and quadrupole in this way and will soon provide an independent measurement.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campione, Salvatore; Warne, Larry K.; Basilio, Lorena I.

In this paper we develop a fully-retarded, dipole approximation model to estimate the effective polarizabilities of a dimer made of dielectric resonators. They are computed from the polarizabilities of the two resonators composing the dimer. We analyze the situation of full-cubes as well as split-cubes, which have been shown to exhibit overlapping electric and magnetic resonances. We compare the effective dimer polarizabilities to ones retrieved via full-wave simulations as well as ones computed via a quasi-static, dipole approximation. We observe good agreement between the fully-retarded solution and the full-wave results, whereas the quasi-static approximation is less accurate for the problemmore » at hand. The developed model can be used to predict the electric and magnetic resonances of a dimer under parallel or orthogonal (to the dimer axis) excitation. This is particularly helpful when interested in locating frequencies at which the dimer will emit directional radiation.« less

Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering

NASA Astrophysics Data System (ADS)

Bremmer, Rolf H.; van Gemert, Martin J. C.; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

2013-08-01

Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20 m at reduced scattering coefficients of 1 and 11.5 mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys. 19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as blood stains and cloth at crime scenes.

Lattice QCD spectroscopy for hadronic CP violation

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Vries, Jordy; Mereghetti, Emanuele; Seng, Chien -Yeah

Here, the interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion–nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion–nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion–nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion–nucleon couplings to nucleon sigma terms andmore » mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.« less

Lattice QCD spectroscopy for hadronic CP violation

DOE PAGES

de Vries, Jordy; Mereghetti, Emanuele; Seng, Chien -Yeah; ...

2017-01-16

Here, the interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion–nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion–nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion–nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion–nucleon couplings to nucleon sigma terms andmore » mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.« less

Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: Evaluation of first-order electrical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datta, Dipayan, E-mail: datta@uni-mainz.de; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

2014-09-14

An analytic scheme is presented for the evaluation of first derivatives of the energy for a unitary group based spin-adapted coupled cluster (CC) theory, namely, the combinatoric open-shell CC (COSCC) approach within the singles and doubles approximation. The widely used Lagrange multiplier approach is employed for the derivation of an analytical expression for the first derivative of the energy, which in combination with the well-established density-matrix formulation, is used for the computation of first-order electrical properties. Derivations of the spin-adapted lambda equations for determining the Lagrange multipliers and the expressions for the spin-free effective density matrices for the COSCC approachmore » are presented. Orbital-relaxation effects due to the electric-field perturbation are treated via the Z-vector technique. We present calculations of the dipole moments for a number of doublet radicals in their ground states using restricted open-shell Hartree-Fock (ROHF) and quasi-restricted HF (QRHF) orbitals in order to demonstrate the applicability of our analytic scheme for computing energy derivatives. We also report calculations of the chlorine electric-field gradients and nuclear quadrupole-coupling constants for the CCl, CH{sub 2}Cl, ClO{sub 2}, and SiCl radicals.« less

Brillouin Light Scattering from Magnetic Excitations in Superparamagnetic and Ferromagnetic Co-Al-O Granular Films

NASA Astrophysics Data System (ADS)

Yoshihara, Akira; Maeda, Toshiteru; Kawamura, Satoshi; Nakamura, Shintaro; Nojima, Tsutomu; Takeda, Yoshihiko; Ohnuma, Shigehiro

2018-04-01

A systematic study of Brillouin light scattering (BLS) from superparamagnetic (SPM) and ferromagnetic (FM) Co-Al-O granular films was performed under magnetic fields of up to 4.6 kOe in the standard backscattering geometry at room temperature. The SPM and FM boundary, defined as the Co composition at which the exchange field vanishes, was found to be located at xC(Co) = 59.3 ± 1.3 at. %. From FM films we observed a pair of bulk spin-wave peaks on both the positive- and negative-frequency sides and a surface localized Damon-Eshbach peak only on the positive-frequency side under the present scattering conditions. From SPM films, a pair of broader but propagative excitation peaks with asymmetric intensity were observed on both frequency sides in a spectrum. We performed a numerical analysis of the BLS spectrum by employing the theory developed by Camley and Mills (CM) while retaining dipole and exchange couplings for FM films and only dipole coupling for SPM films. The CM theory successfully reproduced the observed spectrum for both SPM and FM films. The SPM spectrum exhibits a singlet-doublet peak structure similarly to an FM SW spectrum. The SPM peak stems from the dipole-coupled larger-amplitude precession motion of the granule magnetic moment around the external-field-induced magnetization.

Brightened spin-triplet interlayer excitons and optical selection rules in van der Waals heterobilayers

NASA Astrophysics Data System (ADS)

Yu, Hongyi; Liu, Gui-Bin; Yao, Wang

2018-07-01

We investigate the optical properties of spin-triplet interlayer excitons in heterobilayer transition metal dichalcogenides in comparison with the spin-singlet ones. Surprisingly, the optical transition dipole of the spin-triplet exciton is found to be in the same order of magnitude to that of the spin-singlet exciton, in sharp contrast to the monolayer excitons where the spin-triplet species is considered as dark compared to the singlet. Unlike the monolayer excitons whose spin-conserved (spin-flip) transition dipole can only couple to light of in-plane (out-of-plane) polarisation, such restriction is removed for the interlayer excitons due to the breaking of the out-of-plane mirror symmetry. We find that as the interlayer atomic registry changes, the optical transition dipole of interlayer exciton crosses between in-plane ones of opposite circular polarizations and the out-of-plane one for both the spin-triplet and spin-singlet species. As a result, excitons of both species have non-negligible coupling into photon modes of both in-plane and out-of-plane propagations, another sharp difference from the monolayers where the exciton couples predominantly into the out-of-plane propagation channel. At given atomic registry, the spin-triplet and spin-singlet excitons have distinct valley polarisation selection rules, allowing the selective optical addressing of both the valley configuration and the spin-singlet/triplet configuration of interlayer excitons.

The effects of seasonal and diurnal variations in the Earth's magnetic dipole orientation on solar wind-magnetosphere-ionosphere coupling

NASA Astrophysics Data System (ADS)

Cnossen, Ingrid; Wiltberger, Michael; Ouellette, Jeremy E.

2012-11-01

The angle μ between the geomagnetic dipole axis and the geocentric solar magnetospheric (GSM) z axis, sometimes called the “dipole tilt,” varies as a function of UT and season. Observations have shown that the cross-polar cap potential tends to maximize near the equinoxes, when on average μ = 0, with smaller values observed near the solstices. This is similar to the well-known semiannual variation in geomagnetic activity. We use numerical model simulations to investigate the role of two possible mechanisms that may be responsible for the influence of μ on the magnetosphere-ionosphere system: variations in the coupling efficiency between the solar wind and the magnetosphere and variations in the ionospheric conductance over the polar caps. Under southward interplanetary magnetic field (IMF) conditions, variations in ionospheric conductance at high magnetic latitudes are responsible for 10-30% of the variations in the cross-polar cap potential associated with μ, but variations in solar wind-magnetosphere coupling are more important and responsible for 70-90%. Variations in viscous processes contribute slightly to this, but variations in the reconnection rate with μ are the dominant cause. The variation in the reconnection rate is primarily the result of a variation in the length of the section of the separator line along which relatively strong reconnection occurs. Changes in solar wind-magnetosphere coupling also affect the field-aligned currents, but these are influenced as well by variations in the conductance associated with variations in μ, more so than the cross-polar cap potential. This may be the case for geomagnetic activity too.

Low-energy isovector and isoscalar dipole response in neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Vretenar, D.; Niu, Y. F.; Paar, N.; Meng, J.

2012-04-01

The self-consistent random-phase approximation, based on the framework of relativistic energy density functionals, is employed in the study of isovector and isoscalar dipole response in 68Ni,132Sn, and 208Pb. The evolution of pygmy dipole states (PDSs) in the region of low excitation energies is analyzed as a function of the density dependence of the symmetry energy for a set of relativistic effective interactions. The occurrence of PDSs is predicted in the response to both the isovector and the isoscalar dipole operators, and its strength is enhanced with the increase in the symmetry energy at saturation and the slope of the symmetry energy. In both channels, the PDS exhausts a relatively small fraction of the energy-weighted sum rule but a much larger percentage of the inverse energy-weighted sum rule. For the isovector dipole operator, the reduced transition probability B(E1) of the PDSs is generally small because of pronounced cancellation of neutron and proton partial contributions. The isoscalar-reduced transition amplitude is predominantly determined by neutron particle-hole configurations, most of which add coherently, and this results in a collective response of the PDSs to the isoscalar dipole operator.

Enhanced terahertz magnetic dipole response by subwavelength fiber

NASA Astrophysics Data System (ADS)

Atakaramians, Shaghik; Shadrivov, Ilya V.; Miroshnichenko, Andrey E.; Stefani, Alessio; Ebendorff-Heidepriem, Heike; Monro, Tanya M.; Afshar V., Shahraam

2018-05-01

Dielectric sub-wavelength particles have opened up a new platform for realization of magnetic light. Recently, we have demonstrated that a dipole emitter by a sub-wavelength fiber leads to an enhanced magnetic response. Here, we experimentally demonstrate an enhanced magnetic dipole source in the terahertz frequency range. By placing the fiber next to the hole in a metal screen, we find that the radiation power can be enhanced more than one order of magnitude. The enhancement is due to the excitation of the Mie-type resonances in the fiber. We demonstrate that such a system is equivalent to a double-fiber system excited by a magnetic source. This coupled magnetic dipole and optical fiber system can be considered a unit cell of metasurfaces for manipulation of terahertz radiation and is a proof-of-concept of a possibility to achieve enhanced radiation of a dipole source in proximity of a sub-wavelength fiber. It can also be scaled down to optical frequencies opening up promising avenues for developing integrated nanophotonic devices such as nanoantennas or lasers on fibers.

Large-scale anisotropy of the cosmic microwave background radiation

NASA Technical Reports Server (NTRS)

Silk, J.; Wilson, M. L.

1981-01-01

Inhomogeneities in the large-scale distribution of matter inevitably lead to the generation of large-scale anisotropy in the cosmic background radiation. The dipole, quadrupole, and higher order fluctuations expected in an Einstein-de Sitter cosmological model have been computed. The dipole and quadrupole anisotropies are comparable to the measured values, and impose important constraints on the allowable spectrum of large-scale matter density fluctuations. A significant dipole anisotropy is generated by the matter distribution on scales greater than approximately 100 Mpc. The large-scale anisotropy is insensitive to the ionization history of the universe since decoupling, and cannot easily be reconciled with a galaxy formation theory that is based on primordial adiabatic density fluctuations.

Coupled dielectric permittivity and magnetic susceptibility in the insulating antiferromagnet Ba2FeSbSe5

NASA Astrophysics Data System (ADS)

Maier, S.; Moussa, C.; Berthebaud, D.; Gascoin, F.; Maignan, A.

2018-05-01

We report on coupled changes in the dielectric permittivity and the magnetic susceptibility in the insulating antiferromagnet Ba2FeSbSe5. The real part of the dielectric permittivity (ɛ') and the thermal conductivity (κ) shows pronounced anomalies at the Néel temperature (TN). Our findings show that there is a weak coupling between electric dipoles and magnetic spins, which is mediated by spin-lattice coupling possibly through exchange striction effects.

Continuous approximation for interaction energy of adamantane encapsulated inside carbon nanotubes

NASA Astrophysics Data System (ADS)

Baowan, Duangkamon; Hill, James M.; Bacsa, Wolfgang

2018-02-01

The interaction energy for two adjacent adamantane molecules and that of adamantane molecules encapsulated inside carbon nanotubes are investigated considering only dipole-dipole induced interaction. The Lennard-Jones potential and the continuous approximation are utilised to derive analytical expressions for these interaction energies. The equilibrium distance 3.281 Å between two adamantane molecules is determined. The smallest carbon nanotube radius b0 that can encapsulate the adamantane molecule and the radius of the tube bmax that gives the maximum suction energy, linearly depend on the adamantane radius, are calculated. For larger diameter tubes, the off axis position has been calculated, and equilibrium distance between molecule and tube wall is found to be close to the interlayer spacing in graphene.

Interactions of bright and dark solitons with localized PT-symmetric potentials.

PubMed

Karjanto, N; Hanif, W; Malomed, B A; Susanto, H

2015-02-01

We study collisions of moving nonlinear-Schrödinger solitons with a PT-symmetric dipole embedded into the one-dimensional self-focusing or defocusing medium. Accurate analytical results are produced for bright solitons, and, in a more qualitative form, for dark ones. In the former case, an essential aspect of the approximation is that it must take into regard the intrinsic chirp of the soliton, thus going beyond the framework of the simplest quasi-particle description of the soliton's dynamics. Critical velocities separating reflection and transmission of the incident bright solitons are found by means of numerical simulations, and in the approximate semi-analytical form. An exact solution for the dark soliton pinned by the complex PT-symmetric dipole is produced too.

Oscillator strengths and collision strengths for S v

NASA Technical Reports Server (NTRS)

Van Wyngaarden, W. L.; Henry, R. J. W.

1981-01-01

Observations of the optical extreme-ultraviolet spectrum of the Jupiter planetary system during the Voyager space mission revealed bright emission lines of some sulfur ions. The spectra of the torus at the orbit of Io are likely to contain S V lines. The described investigation provides oscillator strengths and collision strengths for the first four UV lines. The collision strengths from the ground state to four other excited states are also obtained. Use is made of a two-state calculation which is checked for convergence for some transitions by employing a three-state or a four-state approximation. Target wave functions for S V are calculated so that the oscillator strengths calculated in dipole length and dipole velocity approximations agree within 5%.

Low-lying dipole response in the stable {sup 40,48}Ca nuclei within the second random-phase approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gambacurta, D.; Grasso, M.; Catara, F.

2012-10-20

The low-lying dipole strength distributions of {sup 40}CaCa and {sup 48}Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transitionmore » densities.« less

A dipole-assisted solid-phase extraction microchip combined with inductively coupled plasma-mass spectrometry for online determination of trace heavy metals in natural water.

PubMed

Shih, Tsung-Ting; Hsu, I-Hsiang; Chen, Shun-Niang; Chen, Ping-Hung; Deng, Ming-Jay; Chen, Yu; Lin, Yang-Wei; Sun, Yuh-Chang

2015-01-21

We employed a polymeric material, poly(methyl methacrylate) (PMMA), for fabricating a microdevice and then implanted the chlorine (Cl)-containing solid-phase extraction (SPE) functionality into the PMMA chip to develop an innovative on-chip dipole-assisted SPE technique. Instead of the ion-ion interactions utilized in on-chip SPE techniques, the dipole-ion interactions between the highly electronegative C-Cl moieties in the channel interior and the positively charged metal ions were employed to facilitate the on-chip SPE procedures. Furthermore, to avoid labor-intensive manual manipulation, a programmable valve manifold was designed as an interface combining the dipole-assisted SPE microchip and inductively coupled plasma-mass spectrometry (ICP-MS) to achieve the fully automated operation. Under the optimized operation conditions for the established system, the detection limits for each analyte ion were obtained based on three times the standard deviation of seven measurements of the blank eluent solution. The limits ranged from 3.48 to 20.68 ng L(-1), suggesting that this technique appears uniquely suited for determining the levels of heavy metal ions in natural water. Indeed, a series of validation procedures demonstrated that the developed method could be satisfactorily applied to the determination of trace heavy metals in natural water. Remarkably, the developed device was durable enough to be reused more than 160 times without any loss in its analytical performance. To the best of our knowledge, this is the first study reporting on the combination of a dipole-assisted SPE microchip and elemental analysis instrument for the online determination of trace heavy metal ions.

Terahertz radiation-induced sub-cycle field electron emission across a split-gap dipole antenna

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jingdi; Averitt, Richard D., E-mail: xinz@bu.edu, E-mail: raveritt@ucsd.edu; Department of Physics, Boston University, Boston, Massachusetts 02215

We use intense terahertz pulses to excite the resonant mode (0.6 THz) of a micro-fabricated dipole antenna with a vacuum gap. The dipole antenna structure enhances the peak amplitude of the in-gap THz electric field by a factor of ∼170. Above an in-gap E-field threshold amplitude of ∼10 MV/cm{sup −1}, THz-induced field electron emission is observed as indicated by the field-induced electric current across the dipole antenna gap. Field emission occurs within a fraction of the driving THz period. Our analysis of the current (I) and incident electric field (E) is in agreement with a Millikan-Lauritsen analysis where log (I) exhibits amore » linear dependence on 1/E. Numerical estimates indicate that the electrons are accelerated to a value of approximately one tenth of the speed of light.« less

Orientational alignment in cavity quantum electrodynamics

NASA Astrophysics Data System (ADS)

Keeling, Jonathan; Kirton, Peter G.

2018-05-01

We consider the orientational alignment of dipoles due to strong matter-light coupling for a nonvanishing density of excitations. We compare various approaches to this problem in the limit of large numbers of emitters and show that direct Monte Carlo integration, mean-field theory, and large deviation methods match exactly in this limit. All three results show that orientational alignment develops in the presence of a macroscopically occupied polariton mode and that the dipoles asymptotically approach perfect alignment in the limit of high density or low temperature.

Analyzing intrinsic plasmonic chirality by tracking the interplay of electric and magnetic dipole modes.

PubMed

Hu, Li; Huang, Yingzhou; Pan, Lujun; Fang, Yurui

2017-09-11

Plasmonic chirality represents significant potential for novel nanooptical devices due to its association with strong chiroptical responses. Previous reports on plasmonic chirality mechanism mainly focus on phase retardation and coupling. In this paper, we propose a model similar to the chiral molecules for explaining the intrinsic plasmonic chirality mechanism of varies 3D chiral structures quantitatively based on the interplay and mixing of electric and magnetic dipole modes (directly from electromagnetic field numerical simulations), which forms mixed electric and magnetic polarizability.

The symmetry energy, neutron skin thickness and isovector dipole response of neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Horvat, A.; Paar, N.

2015-04-01

The isotopic evolution of the relationship between the symmetry energy at saturation density of nuclear matter (J), neutron skin thickness (ΔR) and relevant observables related to isovector dipole excitations in neutron rich 116-136Sn isotopes has been investigated in the framework of relativistic nuclear energy density functional theory. The description employs a family of effective interactions with density dependent meson-nucleon couplings (DDME) spanning the range of values J = 30 - 38 MeV.

Superconducting multi-cell trapped mode deflecting cavity

DOEpatents

Lunin, Andrei; Khabiboulline, Timergali; Gonin, Ivan; Yakovlev, Vyacheslav; Zholents, Alexander

2017-10-10

A method and system for beam deflection. The method and system for beam deflection comprises a compact superconducting RF cavity further comprising a waveguide comprising an open ended resonator volume configured to operate as a trapped dipole mode; a plurality of cells configured to provide a high operating gradient; at least two pairs of protrusions configured for lowering surface electric and magnetic fields; and a main power coupler positioned to optimize necessary coupling for an operating mode and damping lower dipole modes simultaneously.

Reduction of noise radiated from open pipe terminations

NASA Astrophysics Data System (ADS)

Davis, M. R.

1989-07-01

A modified Quincke tube has been tested to determine the extent to which sound radiation from an open tube end can be reduced by conversion of the monopole source into a dipole form. It has been found that directivity patterns of the dipole with approximately 20 dB variation can be achieved provided that the out-of-phase tube ends are not too closely spaced. Very large spacings also reduce the effectiveness of the arrangement in reducing radiated power since the source system does not then approximate a simple dipole. Consideration has been given to compact designs which achieve path length differentials by the use of four concentric tubes. The relative size of the two acoustic paths has to be adjusted to allow for the size effect on radiation, requiring a somewhat larger area for the smaller tube. Through flow would require an opposite adjustment of the smaller tube area in this case if the smaller tube presented a smaller resistance to flow, as is likely since it involves straight-through flow. Flow through the system would increase the tuned operating frequency.

Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations

NASA Astrophysics Data System (ADS)

Sørensen, L. K.; Fleig, T.; Olsen, J.

2009-08-01

Aimed at obtaining complete and highly accurate potential energy surfaces for molecules containing heavy elements, we present a new general-order coupled cluster method which can be applied in the framework of the spin-free Dirac formalism. As an initial application we present a systematic study of electron correlation and relativistic effects on the spectroscopic and electric properties of the LiCs molecule in its electronic ground state. In particular, we closely investigate the importance of excitations higher than coupled cluster doubles, spin-free and spin-dependent relativistic effects and the correlation of outer-core electrons on the equilibrium bond length, the harmonic vibrational frequency, the dissociation energy, the dipole moment and the static electric dipole polarizability. We demonstrate that our new implementation allows for highly accurate calculations not only in the bonding region but also along the complete potential curve. The quality of our results is demonstrated by a vibrational analysis where an almost complete set of vibrational levels has been calculated accurately.

Determination of dipole coupling constants using heteronuclear multiple quantum NMR

NASA Astrophysics Data System (ADS)

Weitekamp, D. P.; Garbow, J. R.; Pines, A.

1982-09-01

The problem of extracting dipole couplings from a system of N spins I = 1/2 and one spin S by NMR techniques is analyzed. The resolution attainable using a variety of single quantum methods is reviewed. The theory of heteronuclear multiple quantum (HMQ) NMR is developed, with particular emphasis being placed on the superior resolution available in HMQ spectra. Several novel pulse sequences are introduced, including a two-step method for the excitation of HMQ coherence. Experiments on partially oriented [1-13C] benzene demonstrate the excitation of the necessary HMQ coherence and illustrate the calculation of relative line intensities. Spectra of high order HMQ coherence under several different effective Hamiltonians achievable by multiple pulse sequences are discussed. A new effective Hamiltonian, scalar heteronuclear recoupled interactions by multiple pulse (SHRIMP), achieved by the simultaneous irradiation of both spin species with the same multiple pulse sequence, is introduced. Experiments are described which allow heteronuclear couplings to be correlated with an S-spin spreading parameter in spectra free of inhomogeneous broadening.

The decay pattern of the Pygmy Dipole Resonance of 140Ce

DOE PAGES

Loher, B.; Savran, D.; Aumann, T.; ...

2016-02-23

The decay properties of the Pygmy Dipole Resonance (PDR) have been investigated in the semi-magic N = 82 nucleus 140Ce using a novel combination of nuclear resonance fluorescence and γ–γ coincidence techniques. Branching ratios for transitions to low-lying excited states are determined in a direct and model-independent way both for individual excited states and for excitation energy intervals. Comparison of the experimental results to microscopic calculations in the quasi-particle phonon model exhibits an excellent agreement, supporting the observation that the Pygmy Dipole Resonance couples to the ground state as well as to low-lying excited states. In conclusion, a 10% mixingmore » of the PDR and the [2 1 + × PDR] is extracted.« less

Structure and thermodynamics of asymmetric molecules: Application to linear triatomic dipolar molecules

NASA Astrophysics Data System (ADS)

Nichols, Albert L., III; Calef, Daniel F.

A new method to solve the reference HNC equations is developed to treat systems with both asymmetric short-range and long-range interactions. This method is motivated by the work of Patey and co-workers and uses Lado's free-energy minimizing optimization criteria for the reference HNC approximation. The properties of several fluids composed of linear triatomic molecules with various dipole moments or hard-sphere molecules with different-length dipoles are investigated.

Induced dipole-dipole coupling between two atoms at a migration resonance

NASA Astrophysics Data System (ADS)

Kaur, Maninder; Mian, Mahmood

2018-05-01

Results of numerical simulations for the resonant energy exchange phenomenon called Migration reaction between two cold Rydberg atoms are presented. The effect of spatial interatomic distance on the onset of peculiar coherent mechanism is investigated. Observation of Rabi-like population inversion oscillation at the resonance provides a clear signature of dipole induced exchange of electronic excitations between the atoms. Further we present the results for the dependence of expectation value of the interaction hamiltonian on the interatomic distance, which is responsible for energy exchange process. The results of this observation endorse the range of inter atomic distance within which the excitation exchange process occurs completely or partially. Migration process enhance the Rydberg-Rydberg interaction in the absence of an external field, under the condition of the zero permanent dipole moments. Our next observation sheds light on the fundamental mechanism of induced electric fields initiated by the oscillating dipoles in such energy exchange processes. We explore the dependence of induced electric field on the interatomic distance and angle between the dipoles highlighting the inverse power law dependence and anisotropic property of the field. We put forward an idea to utilise the coherent energy exchange process to build efficient and fast energy transfer channels by incorporating more atoms organised at successive distances with decreasing distance gradient.

Charged perfect fluid tori in strong central gravitational and dipolar magnetic fields

NASA Astrophysics Data System (ADS)

Kovář, Jiří; Slaný, Petr; Cremaschini, Claudio; Stuchlík, Zdeněk; Karas, Vladimír; Trova, Audrey

2016-06-01

We study electrically charged perfect fluid toroidal structures encircling a spherically symmetric gravitating object with Schwarzschild spacetime geometry and endowed with a dipole magnetic field. The work represents a direct continuation of our previous general-relativistic studies of electrically charged fluid in the approximation of zero conductivity, which formed tori around a Reissner-Nordström black hole or a Schwarzschild black hole equipped with a test electric charge and immersed in an asymptotically uniform magnetic field. After a general introduction of the zero-conductivity charged fluid model, we discuss a variety of possible topologies of the toroidal fluid configurations. Along with the charged equatorial tori forming interesting coupled configurations, we demonstrate the existence of the off-equatorial tori, for which the dipole type of magnetic field seems to be necessary. We focus on orbiting structures with constant specific angular momentum and on those in permanent rigid rotation. We stress that the general analytical treatment developed in our previous works is enriched here by the integrated form of the pressure equations. To put our work into an astrophysical context, we identify the central object with an idealization of a nonrotating magnetic neutron star. Constraining ranges of its parameters and also parameters of the circling fluid, we discuss a possible relevance of the studied toroidal structures, presenting along with their topology also pressure, density, temperature and charge profiles.

Long-range correction for tight-binding TD-DFT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

2015-10-07

We present two improvements to the tight-binding approximation of time-dependent density functional theory (TD-DFTB): First, we add an exact Hartree-Fock exchange term, which is switched on at large distances, to the ground state Hamiltonian and similarly to the coupling matrix that enters the linear response equations for the calculation of excited electronic states. We show that the excitation energies of charge transfer states are improved relative to the standard approach without the long-range correction by testing the method on a set of molecules from the database in Peach et al. [J. Chem. Phys. 128, 044118 (2008)] which are known tomore » exhibit problematic charge transfer states. The degree of spatial overlap between occupied and virtual orbitals indicates where TD-DFTB and long-range corrected TD-DFTB (lc-TD-DFTB) can be expected to produce large errors. Second, we improve the calculation of oscillator strengths. The transition dipoles are obtained from Slater Koster files for the dipole matrix elements between valence orbitals. In particular, excitations localized on a single atom, which appear dark when using Mulliken transition charges, acquire a more realistic oscillator strength in this way. These extensions pave the way for using lc-TD-DFTB to describe the electronic structure of large chromophoric polymers, where uncorrected TD-DFTB fails to describe the high degree of conjugation and produces spurious low-lying charge transfer states.« less

Effective rotational correlation times of proteins from NMR relaxation interference

NASA Astrophysics Data System (ADS)

Lee, Donghan; Hilty, Christian; Wider, Gerhard; Wüthrich, Kurt

2006-01-01

Knowledge of the effective rotational correlation times, τc, for the modulation of anisotropic spin-spin interactions in macromolecules subject to Brownian motion in solution is of key interest for the practice of NMR spectroscopy in structural biology. The value of τc enables an estimate of the NMR spin relaxation rates, and indicates possible aggregation of the macromolecular species. This paper reports a novel NMR pulse scheme, [ 15N, 1H]-TRACT, which is based on transverse relaxation-optimized spectroscopy and permits to determine τc for 15N- 1H bonds without interference from dipole-dipole coupling of the amide proton with remote protons. [ 15N, 1H]-TRACT is highly efficient since only a series of one-dimensional NMR spectra need to be recorded. Its use is suggested for a quick estimate of the rotational correlation time, to monitor sample quality and to determine optimal parameters for complex multidimensional NMR experiments. Practical applications are illustrated with the 110 kDa 7,8-dihydroneopterin aldolase from Staphylococcus aureus, the uniformly 15N-labeled Escherichia coli outer membrane protein X (OmpX) in 60 kDa mixed OmpX/DHPC micelles with approximately 90 molecules of unlabeled 1,2-dihexanoyl- sn-glycero-3-phosphocholine (DHPC), and the 16 kDa pheromone-binding protein from Bombyx mori, which cover a wide range of correlation times.

Polarized and asymmetric emission of single colloidal nanoplatelets (Conference Presentation)

NASA Astrophysics Data System (ADS)

Feng, Fu; N'Guyen, Thu Loan; Nasilowski, Michel; Lethiec, Clotilde M.; Dubertret, Benoit; Coolen, Laurent; Maître, Agnès.

2017-02-01

Efficient coupling of nanoemitters to photonic or plasmonic structures requires the control of the orientation of the emitting dipoles. Nevertheless controlling the dipole orientation remains an experimental challenge. Many experiments rely on the realization of numerous samples, in order to be able to statistically get a well aligned dipole to realize an efficient coupling to a nanostructure. In order to avoid these statistical trials, the knowledge of the nature of the emitter and its orientation is crucial for a deterministical approach. We developed a method [1],[2] relying on the combination of polarimetric measurement and emission diagram which gives fine information both on the emitting dipolar transition involved and on the dipolar orientation We analyse by this method square and rectangle single colloidal CdSe/CdS nanoplatetelets. We demonstrate that their emission can be described by just by two orthogonal dipoles lying in the plane of the platelets. More surprisingly the emission of the square nanoplatelets is not polarised whereas the rectangle one is. We demonstrate that this polarized emission is due to the rectangular shape anisotropy by a dielectric effect. [1] C. Lethiec, et al, Three-dimensional orientation measurement of a single fluorescent nanoemitter by polarization analysis, Phys. Rev. X 4, 021037 (2014), [2] C. Lethiec et al, Polarimetry-based analysis of dipolar transitions of single colloidal CdSe/CdS dot-inrods, New Journal of Physics 16, 093014 (2014) [3] S. Ithurria et al, colloidal nanoplatelets with 2 dimensional electronic structure, Nature Materials 10, 936 (2011)

Ab initio study of the RbSr electronic structure: potential energy curves, transition dipole moments, and permanent electric dipole moments.

PubMed

Pototschnig, Johann V; Krois, Günter; Lackner, Florian; Ernst, Wolfgang E

2014-12-21

Excited states and the ground state of the diatomic molecule RbSr were calculated by post Hartree-Fock molecular orbital theory up to 22 000 cm(-1). We applied a multireference configuration interaction calculation based on multiconfigurational self-consistent field wave functions. Both methods made use of effective core potentials and core polarization potentials. Potential energy curves, transition dipole moments, and permanent electric dipole moments were determined for RbSr and could be compared with other recent calculations. We found a good agreement with experimental spectra, which have been obtained recently by helium nanodroplet isolation spectroscopy. For the lowest two asymptotes (Rb (5s (2)S) + Sr (5s4d (3)P°) and Rb (5p (2)P°) + Sr (5s(2) (1)S)), which exhibit a significant spin-orbit coupling, we included relativistic effects by two approaches, one applying the Breit-Pauli Hamiltonian to the multireference configuration interaction wave functions, the other combining a spin-orbit Hamiltonian and multireference configuration interaction potential energy curves. Using the results for the relativistic potential energy curves that correspond to the Rb (5s (2)S) + Sr (5s4d (3)P°) asymptote, we have simulated dispersed fluorescence spectra as they were recently measured in our lab. The comparison with experimental data allows to benchmark both methods and demonstrate that spin-orbit coupling has to be included for the lowest states of RbSr.

Cold Rydberg molecules

NASA Astrophysics Data System (ADS)

Raithel, Georg

2017-04-01

Cold atomic systems have opened new frontiers in atomic and molecular physics, including several types of Rydberg molecules. Three types will be reviewed. Long-range Rydberg-ground molecules, first predicted in and observed in, are formed via low-energy electron scattering of the Rydberg electron from a ground-state atom within the Rydberg atom's volume. The binding mostly arises from S- and P-wave triplet scattering. We use a Fermi model that includes S-wave and P-wave singlet and triplet scattering, the fine structure coupling of the Rydberg atom and the hyperfine structure coupling of the 5S1/2 atom (in rubidium). The hyperfine structure gives rise to mixed singlet-triplet potentials for both low-L and high-L Rydberg molecules. A classification into Hund's cases will be discussed. The talk further includes results on adiabatic potentials and adiabatic states of Rydberg-Rydberg molecules in Rb and Cs. These molecules, which have even larger bonding length than Rydberg-ground molecules, are formed via electrostatic multipole interactions. The leading interaction of neutral Rydberg-Rydberg molecules is dipole-dipole, while for ionic Rydberg molecules it is dipole-monopole. Higher-order terms are discussed. FUNDING: NSF (PHY-1506093), NNSF of China (61475123).

Static and dynamic parasitic magnetizations and their control in superconducting accelerator dipoles

NASA Astrophysics Data System (ADS)

Collings, E. W.; Sumption, M. D.

2001-05-01

Long dipole magnets guide the particle beams in synchrotron-type high energy accelerators. In principal Cu-wound DC-excited dipoles could be designed to deliver a very uniform transverse bore field, i.e. with small or negligible harmonic (multipolar) distortion. But if the Cu is replaced by (a) superconducting strand that is (b) wound into a Rutherford cable carrying a time-varying transport current, extra magnetizations present within the windings cause distortions of the otherwise uniform field. The static (persistent-current) strand magnetization can be reduced by reducing the filament diameter, and the residue compensated or corrected by strategically placed active or passive components. The cable’s interstrand coupling currents can be controlled by increasing the interstrand contact resistance by: adjusting the level of native oxidation of the strand, coating it, or by inserting a ribbon-like core into the cable itself. Methods of locally compensating the magnetization of NbTi and Nb 3Sn strand and cable are discussed, progress in coupling-current suppression through the use of coatings and cores is reviewed, and a method of simultaneously reducing both the static and dynamic magnetizations of a NbTi cable by means of a thin Ni core is suggested.

Progress toward measuring the 6S1/2 <--> 5D3/2 magnetic-dipole transition moment in Ba+

NASA Astrophysics Data System (ADS)

Williams, Spencer; Jayakumar, Anupriya; Hoffman, Matthew; Blinov, Boris; Fortson, Norval

2015-05-01

We report the latest results from our effort to measure the magnetic-dipole transition moment (M1) between the 6S1 / 2 and 5D3 / 2 manifolds in Ba+. We describe a new technique for calibrating view-port birefringence and how we will use it to enhance the M1 signal. To access the transition moment we use a variation of a previously proposed technique that allows us to isolate the magnetic-dipole coupling from the much larger electric-quadrupole coupling in the transition rates between particular Zeeman sub-levels. Knowledge of M1 is crucial for a parity-nonconservation experiment in the ion where M1 will be a leading source of systematic errors. No measurement of this M1 has been made in Ba+, however, there are three calculations that predict it to be 80 ×10-5μB, 22 ×10-5μB, and 17 ×10-5μB. A precise measurement may help resolve this theoretical discrepancy which originates from their different estimations of many-body effects. Supported by NSF Grant No. 09-06494F.

Power loss for a periodically driven ferromagnetic nanoparticle in a viscous fluid: The finite anisotropy aspects

NASA Astrophysics Data System (ADS)

Lyutyy, T. V.; Hryshko, O. M.; Kovner, A. A.

2018-01-01

The coupled magnetic and mechanical motion of a ferromagnetic nanoparticle in a viscous fluid is considered within the dynamical approach. The equation based on the total momentum conservation law is used for the description of the mechanical rotation, while the modified Landau-Lifshitz-Gilbert equation is utilized for the description of the internal magnetic dynamics. The exact expressions for the particles trajectories and the power loss are obtained in the linear approximation. The comparison with the results of other widespread approaches, such as the model of fixed particle and the model of rigid dipole, is performed. It is established that in the small oscillations mode the damping precession of the nanoparticle magnetic moment is the main channel of energy dissipation, but the motion of the nanoparticle easy axis can significantly influence the value of the resulting power loss.

Determination of the average orientation of DNA in the octopus sperm [ital Eledone] [ital cirrhossa] through polarized light scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shapiro, D.B.; Maestre, M.F.; McClain, W.M.

1994-08-20

The coupled-dipole approximation has been used to model polarized light-scattering data obtained from the sperm of the octopus [ital Eledone] [ital cirrhosa]. Mueller scattering-matrix elements (which describe how a sample alters the intensity and degree of polarization of scattered light) were measured as a function of angle. The sample was modeled as a helical fiber believed to correspond to a DNA protein complex. It was necessary to propose an inherent anisotropy in the polarizability of the fiber in order to fit the data. The direction of the principle axes of the polarizability were determined by comparing the model with experimentalmore » data. The results suggest that the 2-nm DNA fibers are perpendicular to the thick fiber that defines the helical geometry of the octopus sperm head.« less

Localized surface plasmon resonance properties of Ag nanorod arrays on graphene-coated Au substrate

NASA Astrophysics Data System (ADS)

Mu, Haiwei; Lv, Jingwei; Liu, Chao; Sun, Tao; Chu, Paul K.; Zhang, Jingping

2017-11-01

Localized surface plasmon resonance (LSPR) on silver nanorod (SNR) arrays deposited on a graphene-coated Au substrate is investigated by the discrete dipole approximation (DDA) method. The resonance peaks in the extinction spectra of the SNR/graphene/Au structure show significantly different profiles as SNR height, and refractive index of the surrounding medium are varied gradually. Numerical simulation reveals that the shifts in the resonance peaks arise from hybridization of multiple plasmon modes as a result of coupling between the SNR arrays and graphene-coated Au substrate. Moreover, the LSPR modes blue-shifts from 800 nm to 700 nm when the thickness of the graphene layer in the metal nanoparticle (NP) - graphene hybrid nanostructure increases from 1 nm to 5 nm, which attribute to charge transfer between the graphene layer and SNR arrays. The results provide insights into metal NP-graphene hybrid nanostructures which have potential applications in plasmonics.

Identification and properties of molecular systems of potential use in solar-pumped lasers

NASA Technical Reports Server (NTRS)

Micha, D. A.; Oehrn, N. Y.

1985-01-01

The concepts and computational tools of theortical chemistry are used to investigate molecular properties needed in direct solar-pumped lasers. Compounds of the type RR'CXY, with R and R' organic groups, and X and Y halide atoms were identified as likely candidates because of their highly enhanced absorption coefficients over compounds with a single halide atom. The use of a combination of vibrational excitation followed by electronic excitation to enhance quantum yields at certain wavelengths is indicated. A self-consistent eikonal approximation to state-to-state transitions was tested for CH3I and is useful for other problems involving electronic energy and charge transfer. An approach to calculate potential energy surfaces and transition dipoles was developed which is based on the generation of eigenstates of the nonrelativisitc Hamiltonian followed by incorporation of the spin-orbit coupling by configuration interaction.

Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding

PubMed Central

Kreienkamp, Amelia B.; Liu, Lucy Y.; Minkara, Mona S.; Knepley, Matthew G.; Bardhan, Jaydeep P.; Radhakrishnan, Mala L.

2013-01-01

We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned error of 4% on a test set of more than 600 proteins—a significant improvement over previous BIBEE models. In this work, we tested the BIBEE/I model for its capability to predict residue-by-residue interactions in protein–protein binding, using the widely studied model system of trypsin and bovine pancreatic trypsin inhibitor (BPTI). Finding that the BIBEE/I model performs surprisingly less well in this task than simpler BIBEE models, we seek to explain this behavior in terms of the models’ differing spectral approximations of the exact boundary-integral operator. Calculations of analytically solvable systems (spheres and tri-axial ellipsoids) suggest two possibilities for improvement. The first is a modified BIBEE/I approach that captures the asymptotic eigenvalue limit correctly, and the second involves the dipole and quadrupole modes for ellipsoidal approximations of protein geometries. Our analysis suggests that fast, rigorous approximate models derived from reduced-basis approximation of boundary-integral equations might reach unprecedented accuracy, if the dipole and quadrupole modes can be captured quickly for general shapes. PMID:24466561

Luminescence Anisotropy and Thermal Effect of Magnetic and Electric Dipole Transitions of Cr3+ Ions in Yb:YAG Transparent Ceramic.

PubMed

Tang, Fei; Ye, Honggang; Su, Zhicheng; Bao, Yitian; Guo, Wang; Xu, Shijie

2017-12-20

In this article, we present an in-depth optical study on luminescence spectral features and the thermal effect of the magnetic dipole (MD) transitions (e.g., the R lines of 2 E → 4 A 2 ) and the associated electric dipole transitions (e.g., phonon-induced sidebands of the R lines) of Cr 3+ ions in ytterbium-yttrium aluminum garnet polycrystalline transparent ceramic. The doubly split R lines predominately due to the doublet splitting of the 2 E level of the Cr 3+ ion in an octahedral crystal field are found to show a very large anisotropy in both emission intensity and thermal broadening. The large departure from the intensity equality between them could be interpreted in terms of large difference in coupling strength with phonons for the doubly split states of the 2 E level. For the large anisotropy in thermal broadening, very different effective Debye temperatures for the two split states may be responsible for it. Besides the 2 E excited state, the higher excited states, for example, 4 T 1 and 4 T 2 of the Cr 3+ ion, also exhibit a very large inequality in coupling strength with phonons at room temperature. By examining the Stokes phonon sidebands of the MD R lines at low temperatures with the existing ion-phonon coupling theory, we reveal that they indeed carry fundamental information of phonons. For example, their broad background primarily reflects Debye density of states of acoustic phonons. These new results significantly enrich our existing understanding on interesting but challenging luminescence mechanisms of ion-phonon coupling systems.

Role of the Tropical Pacific in recent Antarctic Sea-Ice Trends

NASA Astrophysics Data System (ADS)

Codron, F.; Bardet, D.; Allouache, C.; Gastineau, G.; Friedman, A. R.; Douville, H.; Voldoire, A.

2017-12-01

The recent (up to 2016) trends in Antarctic sea-ice cover - a global increase masking a dipole between the Ross and Bellingshausen-Weddel seas - are still not well understood, and not reproduced by CMIP5 coupled climate models. We here explore the potential role of atmospheric circulation changes around the Amundsen Sea, themselves possibly forced by tropical SSTs, an explanation that has been recently advanced. As a first check on this hypothesis, we compare the atmospheric circulation trends simulated by atmospheric GCMs coupled with an ocean or with imposed SSTs (AMIP experiment from CMIP5); the latter being in theory able to reproduce changes caused by natural SST variability. While coupled models simulate in aggregate trends that project on the SAM structure, strongest in summer, the AMIP simulations add in the winter season a pronounced Amundsen Sea Low signature (and a PNA signature in the northern hemisphere) both consistent with a Niña-like trend in the tropical Pacific. We then use a specific coupled GCM setup, in which surface wind anomalies over the tropical Pacific are strongly nudged towards the observed ones, including their interannual variability, but the model is free to evolve elsewhere. The two GCMs used then simulate a deepening trend in the Amundsen-Sea Low in winter, and are able to reproduce a dipole in sea-ice cover. Further analysis shows that the sea-ice dipole is partially forced by surface heat flux anomalies in early winter - the extent varying with the region and GCM used. The turbulent heat fluxes then act to damp the anomalies in late winter, which may however be maintained by ice-albedo feedbacks.

Isospin properties of electric dipole excitations in 48Ca

NASA Astrophysics Data System (ADS)

Derya, V.; Savran, D.; Endres, J.; Harakeh, M. N.; Hergert, H.; Kelley, J. H.; Papakonstantinou, P.; Pietralla, N.; Ponomarev, V. Yu.; Roth, R.; Rusev, G.; Tonchev, A. P.; Tornow, W.; Wörtche, H. J.; Zilges, A.

2014-03-01

Two different experimental approaches were combined to study the electric dipole strength in the doubly-magic nucleus 48Ca below the neutron threshold. Real-photon scattering experiments using bremsstrahlung up to 9.9 MeV and nearly mono-energetic linearly polarized photons with energies between 6.6 and 9.51 MeV provided strength distribution and parities, and an (α,α‧γ) experiment at Eα=136 MeV gave cross sections for an isoscalar probe. The unexpected difference observed in the dipole response is compared to calculations using the first-order random-phase approximation and points to an energy-dependent isospin character. A strong isoscalar state at 7.6 MeV was identified for the first time supporting a recent theoretical prediction.

Microscopic theory of exchange and dipole-exchange spin waves in magnetic thin films

NASA Astrophysics Data System (ADS)

Pereira, Joao Milton, Jr.

The aim of this work is to develop a microscopic theory of bulk and surface spin wave modes (or magnons) in thin films of some specific ordered magnetic materials, particularly antiferromagnets. Both exchange and magnetic dipole-dipole interactions are taken into account, depending on the material and the wavevector regime. First we study the dispersion relations of spin waves for situations in which the dominant interaction is the short-range exchange coupling between the magnetic sites. We begin by investigating ferromagnetic films with a cubic body centered (b.c.c.) crystal structure a surfaces corresponding to (111) crystal planes. The spin wave frequencies are calculated by a method that generalizes previous techniques used for simpler systems, which allows us to find analytical solutions. The results are then compared with recent experimental data for Ni films grown epitaxially on a W substrate. Then we investigate spin waves in antiferromagnetic systems. Calculations are made for the dispersion relations of exchange-dominated spin waves in antiferromagnetic thin films with simple cubic (s.c.) crystal structures, for three different surface orientations, namely (001), (101) and (111). The results are obtained by using a method similar to the one developed for the ferromagnetic film in the previous chapter. We calculate the effect of finite film thickness in coupling the spin wave modes localized near the two surfaces, leading to a splitting of several of the mode branches that occur in the semi-infinite limit. Another aspect that we consider is the influence, for the (101) orientation, of the direction of propagation on the spin wave frequencies, as well as the effect of non-equivalent sublattices in the (111) case. Next, we investigate the spin waves in antiferromagnetic films made of materials in which the long-range dipole-dipole interaction between the magnetic sites is included, along with the exchange coupling. In this case, we employ a Hamiltonian formalism that uses a transformation of the spin operators to creation and annihilation operators. Initially, we calculate the linear dipole-exchange spin wave spectrum, by considering only the bilinear terms in the transformed Hamiltonian. The theory is applied to antiferromagnetic films with s.c. and b.c.c. structures. The higher-order terms are later included by means of a diagrammatic perturbation technique, which allows us to obtain expressions for the damping and energy shift of the spin wave modes in b.c.c. antiferromagnetic films. Numerical results are then shown for ultrathin films of the antiferromagnet MnF2.

Electron electric dipole moment in mirror fermion model with electroweak scale non-sterile right-handed neutrinos

NASA Astrophysics Data System (ADS)

Chang, Chia-Feng; Hung, P. Q.; Nugroho, Chrisna Setyo; Tran, Van Que; Yuan, Tzu-Chiang

2018-03-01

The electric dipole moment of the electron is studied in detail in an extended mirror fermion model with the following unique features of (a) right-handed neutrinos are non-sterile and have masses at the electroweak scale, and (b) a horizontal symmetry of the tetrahedral group is used in the lepton and scalar sectors. We study the constraint on the parameter space of the model imposed by the latest ACME experimental limit on electron electric dipole moment. Other low energy experimental observables such as the anomalous magnetic dipole moment of the muon, charged lepton flavor violating processes like muon decays into electron plus photon and muon-to-electron conversion in titanium, gold and lead are also considered in our analysis for comparison. In addition to the well-known CP violating Dirac and Majorana phases in the neutrino mixing matrix, the dependence of additional phases of the new Yukawa couplings in the model is studied in detail for all these low energy observables.

Incipient ferroelectricity of water molecules confined to nano-channels of beryl

PubMed Central

Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokleška, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.; Prokhorov, A. S.; Gorelik, V. S.; Kadyrov, L. S.; Uskov, V. V.; Kremer, R. K.; Dressel, M.

2016-01-01

Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole–dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole–dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie–Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices. PMID:27687693

Constraints on Exotic Dipole-Dipole Couplings between Electrons at the Micrometer Scale

NASA Astrophysics Data System (ADS)

Kotler, Shlomi; Ozeri, Roee; Kimball, Derek F. Jackson

2015-08-01

New constraints on exotic dipole-dipole interactions between electrons at the micrometer scale are established, based on a recent measurement of the magnetic interaction between two trapped 88Sr+ ions. For light bosons (mass≤0.1 eV ) we obtain a 90% confidence interval for an axial-vector-mediated interaction strength of |gAegAe/4 π ℏc | ≤1.2 ×10-17 . Assuming C P T invariance, this constraint is compared to that on anomalous electron-positron interactions, derived from positronium hyperfine spectroscopy. We find that the electron-electron constraint is 6 orders of magnitude more stringent than the electron-positron counterpart. Bounds on pseudoscalar-mediated interaction as well as on torsion gravity are also derived and compared with previous work performed at different length scales. Our constraints benefit from the high controllability of the experimental system which contained only two trapped particles. It therefore suggests a useful new platform for exotic particle searches, complementing other experimental efforts.

Fabrication of a Dipole-assisted Solid Phase Extraction Microchip for Trace Metal Analysis in Water Samples

PubMed Central

Chen, Ping-Hung; Chen, Shun-Niang; Tseng, Sheng-Hao; Deng, Ming-Jay; Lin, Yang-Wei; Sun, Yuh-Chang

2016-01-01

This paper describes a fabrication protocol for a dipole-assisted solid phase extraction (SPE) microchip available for trace metal analysis in water samples. A brief overview of the evolution of chip-based SPE techniques is provided. This is followed by an introduction to specific polymeric materials and their role in SPE. To develop an innovative dipole-assisted SPE technique, a chlorine (Cl)-containing SPE functionality was implanted into a poly(methyl methacrylate) (PMMA) microchip. Herein, diverse analytical techniques including contact angle analysis, Raman spectroscopic analysis, and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) analysis were employed to validate the utility of the implantation protocol of the C-Cl moieties on the PMMA. The analytical results of the X-ray absorption near-edge structure (XANES) analysis also demonstrated the feasibility of the Cl-containing PMMA used as an extraction medium by virtue of the dipole-ion interactions between the highly electronegative C-Cl moieties and the positively charged metal ions. PMID:27584954

Constraints on Exotic Dipole-Dipole Couplings between Electrons at the Micrometer Scale.

PubMed

Kotler, Shlomi; Ozeri, Roee; Kimball, Derek F Jackson

2015-08-21

New constraints on exotic dipole-dipole interactions between electrons at the micrometer scale are established, based on a recent measurement of the magnetic interaction between two trapped 88Sr(+) ions. For light bosons (mass≤0.1  eV) we obtain a 90% confidence interval for an axial-vector-mediated interaction strength of |g(A)(e)g(A)(e)/4πℏc|≤1.2×10(-17). Assuming CPT invariance, this constraint is compared to that on anomalous electron-positron interactions, derived from positronium hyperfine spectroscopy. We find that the electron-electron constraint is 6 orders of magnitude more stringent than the electron-positron counterpart. Bounds on pseudoscalar-mediated interaction as well as on torsion gravity are also derived and compared with previous work performed at different length scales. Our constraints benefit from the high controllability of the experimental system which contained only two trapped particles. It therefore suggests a useful new platform for exotic particle searches, complementing other experimental efforts.

Super-Coulombic atom-atom interactions in hyperbolic media

NASA Astrophysics Data System (ADS)

Cortes, Cristian L.; Jacob, Zubin

2017-01-01

Dipole-dipole interactions, which govern phenomena such as cooperative Lamb shifts, superradiant decay rates, Van der Waals forces and resonance energy transfer rates, are conventionally limited to the Coulombic near-field. Here we reveal a class of real-photon and virtual-photon long-range quantum electrodynamic interactions that have a singularity in media with hyperbolic dispersion. The singularity in the dipole-dipole coupling, referred to as a super-Coulombic interaction, is a result of an effective interaction distance that goes to zero in the ideal limit irrespective of the physical distance. We investigate the entire landscape of atom-atom interactions in hyperbolic media confirming the giant long-range enhancement. We also propose multiple experimental platforms to verify our predicted effect with phonon-polaritonic hexagonal boron nitride, plasmonic super-lattices and hyperbolic meta-surfaces as well. Our work paves the way for the control of cold atoms above hyperbolic meta-surfaces and the study of many-body physics with hyperbolic media.

Excitonic effects in dense media: breakdown of intrinsic optical bistability

NASA Astrophysics Data System (ADS)

Yudson, V. I.; Reineker, P.

1994-12-01

The steady-state nonlinear response to optical excitation is studied for a thin layer containing “two-level-atoms” (TLA). For a high density of TLAs their dipole-dipole interaction and finite excitonic bandwidth effects become important. We demonstrate that the commonly used local-field approximation ignoring excitonic band effects breaks down. Considering a system of ordered TLAs corresponding to Frenkel excitons in molecular crystals we show that excitonic effects cause an instability of spatially uniform solutions and decrease drastically the existence range of the intrinsic optical bistability of a layer. The possibility of “fast instability”, developing with an increment large in comparison with relaxation rates and the Rabi frequency, also raises the question whether the local field approximation still holds for the description of transient optical phenomena in dense media.

Excitonic effects in dense media: breakdown of intrinsic optical bistability

NASA Astrophysics Data System (ADS)

Yudson, V. I.; Reineker, P.

The steady-state nonlinear response to optical excitation is studied for a thin layer containing “two-level-atoms” (TLA). For a high density of TLAs their dipole-dipole interaction and finite excitonic bandwidth effects become important. We demonstrate that the commonly used local-field approximation ignoring excitonic band effects breaks down. Considering a system of ordered TLAs corresponding to Frenkel excitons in molecular crystals we show that excitonic effects cause an instability of spatially uniform solutions and decrease drastically the existence range of the intrinsic optical bistability of a layer. The possibility of “fast instability”, developing with an increment large in comparison with relaxation rates and the Rabi frequency, also raises the question whether the local field approximation still holds for the description of transient optical phenomena in dense media.

Zero-bias microwave detectors based on array of nanorectifiers coupled with a dipole antenna

NASA Astrophysics Data System (ADS)

Kasjoo, Shahrir R.; Singh, Arun K.; Mat Isa, Siti S.; Ramli, Muhammad M.; Mohamad Isa, Muammar; Ahmad, Norhawati; Mohd Nor, Nurul I.; Khalid, Nazuhusna; Song, Ai Min

2016-04-01

We report on zero-bias microwave detection using a large array of unipolar nanodevices, known as the self-switching diodes (SSDs). The large array was realized in a single lithography step without the need of interconnection layers, hence allowing for a simple and low-cost fabrication process. The SSD array was coupled with a narrowband dipole antenna with a resonant frequency of 890 MHz, to form a simple rectenna (rectifying antenna). The extrinsic voltage responsivity and noise-equivalent-power (NEP) of the rectenna were ∼70 V/W and ∼0.18 nW/Hz1/2, respectively, measured in the far-field region at unbiased condition. Nevertheless, the estimated intrinsic voltage responsivity can achieve up to ∼5 kV/W with NEP of ∼2.6 pW/Hz1/2.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roldan, Omar; Quartin, Miguel; Notari, Alessio, E-mail: oaroldan@if.ufrj.br, E-mail: notari@ffn.ub.es, E-mail: mquartin@if.ufrj.br

The aberration and Doppler coupling effects of the Cosmic Microwave Background (CMB) were recently measured by the Planck satellite. The most straightforward interpretation leads to a direct detection of our peculiar velocity β, consistent with the measurement of the well-known dipole. In this paper we discuss the assumptions behind such interpretation. We show that Doppler-like couplings appear from two effects: our peculiar velocity and a second order large-scale effect due to the dipolar part of the gravitational potential. We find that the two effects are exactly degenerate but only if we assume second-order initial conditions from single-field Inflation. Thus, detectingmore » a discrepancy in the value of β from the dipole and the Doppler couplings implies the presence of a primordial non-Gaussianity. We also show that aberration-like signals likewise arise from two independent effects: our peculiar velocity and lensing due to a first order large-scale dipolar gravitational potential, independently on Gaussianity of the initial conditions. In general such effects are not degenerate and so a discrepancy between the measured β from the dipole and aberration could be accounted for by a dipolar gravitational potential. Only through a fine-tuning of the radial profile of the potential it is possible to have a complete degeneracy with a boost effect. Finally we discuss that we also expect other signatures due to integrated second order terms, which may be further used to disentangle this scenario from a simple boost.« less

Revisiting an old concept: the coupled oscillator model for VCD. Part 2: implications of the generalised coupled oscillator mechanism for the VCD robustness concept.

PubMed

Nicu, Valentin Paul

2016-08-03

Using two illustrative examples it is shown that the generalised coupled oscillator (GCO) mechanism implies that the stability of the VCD sign computed for a given normal mode is not reflected by the magnitude of the ratio ζ between the rotational strength and dipole strength of the respective mode, i.e., the VCD robustness criterium proposed by Góbi and Magyarfalvi. The performed VCD GCO analysis brings further insight into the GCO mechanism and also into the VCD robustness concept. First, it shows that the GCO mechanism can be interpreted as a VCD resonance enhancement mechanism, i.e. very large VCD signals can be observed when the interacting molecular fragments are in favourable orientation. Second, it shows that the uncertainties observed in the computed VCD signs are associated to uncertainties in the relative orientation of the coupled oscillator fragments and/or to uncertainties in the predicted nuclear displacement vectors, i.e. not uncertainties in the computed magnetic dipole transition moments as was originally assumed. Since it is able to identify such situations easily, the VCD GCO analysis can be used as a VCD robustness analysis.

Exploration of the Tavis-Cummings Model with Multiple Qubits in Circuit QED

NASA Astrophysics Data System (ADS)

Fink, J. M.; Blais, A.; Wallraff, A.

2009-03-01

Superconducting qubits in coplanar waveguide resonators provide an unprecedentedly large dipole coupling strength to microwave frequency photons confined in an on-chip waveguide resonator [1]. In contrast to atoms in traditional cavity QED a controlled number of qubits remain at fixed positions with constant coupling to the cavity field at all times. Utilizing these properties we have performed measurements with up to three independently flux-tunable qubits to study cavity mediated multi-qubit interactions. By tuning the qubits in resonance with the cavity field individually, we demonstrate the square root of N scaling of the collective dipole coupling strength with the number of resonant atoms N as described by the Tavis-Cummings model. To our knowledge this is the first observation of this nonlinearity in a system in which the atom number can be changed one by one in a discrete fashion. In addition, the energies of both bright and dark coupled multi-qubit / photon states are well explained by the Tavis-Cummings model over a wide range of detunings. On resonance we obtain an equal superposition of a photon and a Dicke state with an excitation equally shared among the N qubits.[1] J. M. Fink et al. Nature 454, 315 (2008).

Coherent and incoherent damping pathways mediated by strong coupling of two-dimensional atomic crystals with metallic nanogrooves

NASA Astrophysics Data System (ADS)

Zhang, Song; Zhang, Hong; Xu, Ting; Wang, Wenxin; Zhu, Yuhang; Li, Daimin; Zhang, Zhiyi; Yi, Juemin; Wang, Wei

2018-06-01

In this paper we investigate the strong exciton-plasmon coupling in a hybrid system consisting of an atomic thick WS2 monolayer and a gold nanogroove array. We theoretically identify the coexistence of two damping pathways: a coherent damping pathway resulting from the resonant dipole-dipole interaction and a coupling-induced incoherent damping pathway due to the spontaneous emissions of a photon by one subsystem and its subsequent reabsorption by the other. We show that the interplay between both interaction processes not only determines the optical property of the hybrid system, but also results in a pronounced modification of the radiative damping due to the formation of super- and subradiant polariton states. Importantly, we reveal that the radiative damping property of the polariton modes is determined only by the effect of coupling-induced sub- and super-radiance, which is distinctly different from that previously observed in a metal-molecular hybrid system where pure dephasing of J-aggregate excitons dominates the polariton dynamics. Our findings may pave the way towards active manipulation of polariton dynamics and offer possibilities for realizing coherent active control in novel plasmonic devices.

Dark plasmonic breathing modes in silver nanodisks.

PubMed

Schmidt, Franz-Philipp; Ditlbacher, Harald; Hohenester, Ulrich; Hohenau, Andreas; Hofer, Ferdinand; Krenn, Joachim R

2012-11-14

We map the complete plasmonic spectrum of silver nanodisks by electron energy loss spectroscopy and show that the mode which couples strongest to the electron beam has radial symmetry with no net dipole moment. Therefore, this mode does not couple to light and has escaped from observation in optical experiments. This radial breathing mode has the character of an extended two-dimensional surface plasmon with a wavenumber determined by the circular disk confinement. Its strong near fields can impact the hybridization in coupled plasmonic nanoparticles as well as couplings with nearby quantum emitters.

Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

NASA Astrophysics Data System (ADS)

Datta, Dipayan; Kossmann, Simone; Neese, Frank

2016-09-01

The domain-based local pair-natural orbital coupled-cluster (DLPNO-CC) theory has recently emerged as an efficient and powerful quantum-chemical method for the calculation of energies of molecules comprised of several hundred atoms. It has been demonstrated that the DLPNO-CC approach attains the accuracy of a standard canonical coupled-cluster calculation to about 99.9% of the basis set correlation energy while realizing linear scaling of the computational cost with respect to system size. This is achieved by combining (a) localized occupied orbitals, (b) large virtual orbital correlation domains spanned by the projected atomic orbitals (PAOs), and (c) compaction of the virtual space through a truncated pair natural orbital (PNO) basis. In this paper, we report on the implementation of an analytic scheme for the calculation of the first derivatives of the DLPNO-CC energy for basis set independent perturbations within the singles and doubles approximation (DLPNO-CCSD) for closed-shell molecules. Perturbation-independent one-particle density matrices have been implemented in order to account for the response of the CC wave function to the external perturbation. Orbital-relaxation effects due to external perturbation are not taken into account in the current implementation. We investigate in detail the dependence of the computed first-order electrical properties (e.g., dipole moment) on the three major truncation parameters used in a DLPNO-CC calculation, namely, the natural orbital occupation number cutoff used for the construction of the PNOs, the weak electron-pair cutoff, and the domain size cutoff. No additional truncation parameter has been introduced for property calculation. We present benchmark calculations on dipole moments for a set of 10 molecules consisting of 20-40 atoms. We demonstrate that 98%-99% accuracy relative to the canonical CCSD results can be consistently achieved in these calculations. However, this comes with the price of tightening the threshold for the natural orbital occupation number cutoff by an order of magnitude compared to the DLPNO-CCSD energy calculations.

Potential Energy Curves, Transition Dipole Moments, and Franck-Condon Factors of the 12 Low-Lying States of BrO- Anion.

PubMed

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2017-11-02

This work investigates the spectroscopic parameters, vibrational levels, and transition probabilities of 12 low-lying states, which are generated from the first dissociation limit, Br( 2 P u ) + O - ( 2 P u ), of the BrO - anion. The 12 states are X 1 Σ + , 2 1 Σ + , 1 1 Σ - , 1 1 Π, 2 1 Π, 1 1 Δ, a 3 Π, 1 3 Σ + , 2 3 Σ + , 1 3 Σ - , 2 3 Π, and 1 3 Δ. The potential energy curves are calculated with the complete active-space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with Davidson modification. The dissociation energy D 0 of X 1 Σ + state is determined to be approximately 26876.44 cm -1 , which agrees well with the experimental one of 26494.50 cm -1 . Of these 12 states, the 2 1 Σ + , 1 1 Σ - , 2 1 Π, 1 1 Δ, 1 3 Σ + , 2 3 Σ + , 2 3 Π, and 1 3 Δ states are very weakly bound states, whose well depths are only several-hundred cm -1 . The a 3 Π, 2 3 Π, and 1 3 Δ states are inverted and account for the spin-orbit coupling effect. No states are repulsive regardless of whether the spin-orbit coupling effect is included. The spectroscopic parameters and vibrational levels are determined. The transition dipole moments of 12-pair electronic states are calculated. Franck-Condon factors of a number of transitions of more than 20-pair electronic states are evaluated. The electronic transitions are discussed. The spin-orbit coupling effect on the spectroscopic parameters and vibrational properties is profound for all the states except for X 1 Σ + , a 3 Π, and 1 1 Π. The spectroscopic parameters and transition probabilities obtained in this paper can provide some powerful guidelines for observing these states in a proper spectroscopy experiment, in particular the states that have very shallow potential wells.

How does the predicted geomagnetic main field variation alter the thermosphere-ionosphere storm-time response?

NASA Astrophysics Data System (ADS)

Maute, A. I.; Lu, G.; Richmond, A. D.

2017-12-01

Earth's magnetic main field plays an important role in the thermosphere-ionosphere (TI) system, as well as its coupling to Earth's magnetosphere. The ionosphere consists of a weakly ionized plasma strongly influenced by the main field and embedded in the thermosphere. Therefore, ion-neutral coupling and ionospheric electrodynamics can influence the plasma distribution and neutral dynamics. There are strong longitude variations of the TI storm response. At high latitude magnetosphere-ionosphere coupling is organized by the geomagnetic main field, leading in general to stronger northern middle latitude storm time response in the American sector due to the geomagnetic dipole location. In addition, the weak geomagnetic main field in the American sector leads to larger local ExB drift and can alter the plasma densities. During geomagnetic storms the intense energy input into the high latitude region is redistributed globally, leading to thermospheric heating, wind circulation changes and alterations of the ionospheric electrodynamics. The storm time changes are measurable in the plasma density, ion drift, temperature, neutral composition, and other parameters. All these changes depend, to some degree, on the geomagnetic main field which changes on decadal time scales. In this study, we employ a forecast model of the geomagnetic main field based on data assimilation and geodynamo modeling [Aubert et al., 2015]. The main field model predicts that in 50 years the South Atlantic Anomaly is further weakened by 2 mT and drifts westward by approximately 10o. The dipole axis moves northward and westward by 2o and 6o, respectively. Simulating the March 2015 geomagnetic storm with the Thermosphere-Ionosphere Electrodynamics General Circulation Model (TIE-GCM) driven by the Assimilative Mapping of Ionospheric Electrodynamics (AMIE), we evaluate the thermosphere-ionosphere response using the geomagnetic main field of 2015, 2065, and 2115. We compare the TI response for 2015 with available satellite data, e.g. Swarm and COSMIC, and discuss the changes in the TI response due to the predicted main field changes to identify regions of potential increase and decrease in the storm time response. Aubert, J., Geophys. J. Int. 203, 1738-1751, 2015, doi: 10.1093/gji/ggv394 .

The reversed and normal flux contributions to axial dipole decay for 1880-2015

NASA Astrophysics Data System (ADS)

Metman, M. C.; Livermore, P. W.; Mound, J. E.

2018-03-01

The axial dipole component of Earth's internal magnetic field has been weakening since at least 1840, an effect widely believed to be attributed to the evolution of reversed flux patches (RFPs). These are regions on the core-mantle boundary (CMB) where the sign of radial flux deviates from that of the dominant sign of hemispheric radial flux. We study dipole change over the past 135 years using the field models gufm1, COV-OBS.x1 and CHAOS-6; we examine the impact of the choice of magnetic equator on the identification of reversed flux, the contribution of reversed and normal flux to axial dipole decay, and how reversed and normal field evolution has influenced the axial dipole. We show that a magnetic equator defined as a null-flux curve of the magnetic field truncated at spherical harmonic degree 3 allows us to robustly identify reversed flux, which we demonstrate is a feature of at least degree 4 or 5. Additionally, our results indicate that the evolution of reversed flux accounts for approximately two-thirds of the decay of the axial dipole, while one third of the decay is attributed to the evolution of the normal field. We find that the decay of the axial dipole over the 20th century is associated with both the expansion and poleward migration of reversed flux patches. In contrast to this centennial evolution, changes in the structure of secular variation since epoch 2000 indicate that poleward migration currently plays a much reduced role in the ongoing dipole decay.

Tunable Superfluidity and Quantum Magnetism with Ultracold Polar Molecules

DTIC Science & Technology

2011-09-08

generalization of the t-J model that we refer to as the anisotropic t-J-V-W model. Dipole-dipole interactions that give rise to this model are orders...controlled by the ratio between the Rabi frequency and the detuning of a þ-polarized microwave field acting on the j0i j1i tran- sition [27]. In 40K87Rb...field coupling jm0i and jm1i and performing an adiabatic passage from an easily accessible state to the desired ground state by tuning the Rabi

Adiabatic Quantum Computation with Neutral Cesium

NASA Astrophysics Data System (ADS)

Hankin, Aaron; Parazzoli, L.; Chou, Chin-Wen; Jau, Yuan-Yu; Burns, George; Young, Amber; Kemme, Shanalyn; Ferdinand, Andrew; Biedermann, Grant; Landahl, Andrew; Ivan H. Deutsch Collaboration; Mark Saffman Collaboration

2013-05-01

We are implementing a new platform for adiabatic quantum computation (AQC) based on trapped neutral atoms whose coupling is mediated by the dipole-dipole interactions of Rydberg states. Ground state cesium atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. University of New Mexico: Ivan H. Deutsch, Tyler Keating, Krittika Goyal.

Scan blindness in infinite phased arrays of printed dipoles

NASA Technical Reports Server (NTRS)

Pozar, D. M.; Schaubert, D. H.

1984-01-01

A comprehensive study of infinite phased arrays of printed dipole antennas is presented, with emphasis on the scan blindness phenomenon. A rigorous and efficient moment method procedure is used to calculate the array impedance versus scan angle. Data are presented for the input reflection coefficient for various element spacings and substrate parameters. A simple theory, based on coupling from Floquet modes to surface wave modes on the substrate, is shown to predict the occurrence of scan blindness. Measurements from a waveguide simulator of a blindness condition confirm the theory.

Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.

PubMed

Bachorz, Rafał A; Klopper, Wim; Gutowski, Maciej

2007-02-28

A valence-type anion of the canonical tautomer of uracil has been characterized using explicitly correlated second-order Moller-Plesset perturbation theory (RI-MP2-R12) in conjunction with conventional coupled-cluster theory with single, double, and perturbative triple excitations. At this level of electron-correlation treatment and after inclusion of a zero-point vibrational energy correction, determined in the harmonic approximation at the RI-MP2 level of theory, the valence anion is adiabatically stable with respect to the neutral molecule by 40 meV. The anion is characterized by a vertical detachment energy of 0.60 eV. To obtain accurate estimates of the vertical and adiabatic electron binding energies, a scheme was applied in which electronic energy contributions from various levels of theory were added, each of them extrapolated to the corresponding basis-set limit. The MP2 basis-set limits were also evaluated using an explicitly correlated approach, and the results of these calculations are in agreement with the extrapolated values. A remarkable feature of the valence anionic state is that the adiabatic electron binding energy is positive but smaller than the adiabatic electron binding energy of the dipole-bound state.

An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection.

PubMed

Nandipati, K R; Lan, Z; Singh, H; Mahapatra, S

2017-06-07

A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S 0 - 1 πσ * (A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.

An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection

PubMed Central

Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.

2017-01-01

A first principles quantum dynamics study of N–H photodissociation of pyrrole on the S0−1πσ*(A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation. PMID:28595406

An alternative laser driven photodissociation mechanism of pyrrole via π*1σ/S0 conical intersection

NASA Astrophysics Data System (ADS)

Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.

2017-06-01

A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S0-1π σ*(A12) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the π*1σ state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the π*1σ photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahmoud, Mahmoud A., E-mail: mmahmoud@gatech.edu

The field coupling in highly packed plasmonic nanoparticle arrays is not localized due to the energy transport via the sub-radiant plasmon modes, which is formed in addition to the regular super-radiant plasmon mode. Unlike the sub-radiant mode, the plasmon field of the super-radiant mode cannot extend over long distances since it decays radiatively with a shorter lifetime. The coupling of the plasmon fields of gold nanocubes (AuNCs) when organized into highly packed 2D arrays was examined experimentally. Multiple plasmon resonance optical peaks are observed for the AuNC arrays and are compared to those calculated using the discrete dipole approximation. Themore » calculated electromagnetic plasmon fields of the arrays displayed high field intensity for the nanocubes located in the center of the arrays for the lower energy super-radiant mode, while the higher energy sub-radiant plasmon mode displayed high field intensity at the edges of the arrays. The Raman signal enhancement by the super-radiant plasmon mode was found to be one hundred fold greater than that by sub-radiant plasmon mode because the super-radiant mode has higher scattering and stronger plasmon field intensity relative to the sub-radiant mode.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuruma, K.; Takamiya, D.; Ota, Y.

We demonstrate precise and quick detection of the positions of quantum dots (QDs) embedded in two-dimensional photonic crystal nanocavities. We apply this technique to investigate the QD position dependence of the optical coupling between the QD and the nanocavity. We use a scanning electron microscope (SEM) operating at a low acceleration voltage to detect surface bumps induced by the QDs buried underneath. This enables QD detection with a sub-10 nm precision. We then experimentally measure the vacuum Rabi spectra to extract the optical coupling strengths (gs) between single QDs and cavities, and compare them to the values estimated by a combinationmore » of the SEM-measured QD positions and electromagnetic cavity field simulations. We found a highly linear relationship between the local cavity field intensities and the QD-cavity gs, suggesting the validity of the point dipole approximation used in the estimation of the gs. The estimation using SEM has a small standard deviation of ±6.2%, which potentially enables the high accuracy prediction of g prior to optical measurements. Our technique will play a key role for deeply understanding the interaction between QDs and photonic nanostructures and for advancing QD-based cavity quantum electrodynamics.« less

Rabi-Bloch oscillations in spatially distributed systems: Temporal dynamics and frequency spectra

NASA Astrophysics Data System (ADS)

Levie, Ilay; Kastner, Raphael; Slepyan, Gregory

2017-10-01

We consider one-dimensional chains of two-level quantum systems coupled via tunneling. The chain is driven by the superposition of dc and ac fields in the strong coupling regime. Based on the fundamental principles of electrodynamics and quantum theory, we have developed a generalized model of quantum dynamics for such interactions, free of rotating-wave approximation. The system of equations of motion was studied numerically. We analyzed the dynamics and spectra of the inversion density, dipole current density, and tunneling current density. In the case of resonant interaction with the ac component, the particle dynamics exhibits itself in the oscillatory regime, which may be interpreted as a combination of Rabi and Bloch oscillations with their strong mutual influence. Such scenario for an obliquely incident ac field dramatically differs from the individual picture of both types of oscillations due to the interactions. This effect is counterintuitive because of the existence of markedly different frequency ranges for such two types of oscillations. These dynamics manifest themselves in multiline spectra in different combinations of Rabi and Bloch frequencies. The effect is promising as a framework of a new type of spectroscopy in nanoelectronics and electrical control of nanodevices.

Polarized light scattering as a probe for changes in chromosome structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shapiro, Daniel Benjamin

1993-10-01

Measurements and calculations of polarized light scattering are applied to chromosomes. Calculations of the Mueller matrix, which completely describes how the polarization state of light is altered upon scattering, are developed for helical structures related to that of chromosomes. Measurements of the Mueller matrix are presented for octopus sperm heads, and dinoflagellates. Comparisons of theory and experiment are made. A working theory of polarized light scattering from helices is developed. The use of the first Born approximation vs the coupled dipole approximation are investigated. A comparison of continuous, calculated in this work, and discrete models is also discussed. By comparingmore » light scattering measurements with theoretical predictions the average orientation of DNA in an octopus sperm head is determined. Calculations are made for the Mueller matrix of DNA plectonemic helices at UV, visible and X-ray wavelengths. Finally evidence is presented that the chromosomes of dinoflagellates are responsible for observed differential scattering of circularly-polarized light. This differential scattering is found to vary in a manner that is possibly correlated to the cell cycle of the dinoflagellates. It is concluded that by properly choosing the wavelength probe polarized light scattering can provide a useful tool to study chromosome structure.« less

Analysis of a Waveguide-Fed Metasurface Antenna

NASA Astrophysics Data System (ADS)

Smith, David R.; Yurduseven, Okan; Mancera, Laura Pulido; Bowen, Patrick; Kundtz, Nathan B.

2017-11-01

The metasurface concept has emerged as an advantageous reconfigurable antenna architecture for beam forming and wave-front shaping, with applications that include satellite and terrestrial communications, radar, imaging, and wireless power transfer. The metasurface antenna consists of an array of metamaterial elements distributed over an electrically large structure, each subwavelength in dimension and with subwavelength separation between elements. In the antenna configuration we consider, the metasurface is excited by the fields from an attached waveguide. Each metamaterial element can be modeled as a polarizable dipole that couples the waveguide mode to radiation modes. Distinct from the phased array and electronically-scanned-antenna architectures, a dynamic metasurface antenna does not require active phase shifters and amplifiers but rather achieves reconfigurability by shifting the resonance frequency of each individual metamaterial element. We derive the basic properties of a one-dimensional waveguide-fed metasurface antenna in the approximation in which the metamaterial elements do not perturb the waveguide mode and are noninteracting. We derive analytical approximations for the array factors of the one-dimensional antenna, including the effective polarizabilities needed for amplitude-only, phase-only, and binary constraints. Using full-wave numerical simulations, we confirm the analysis, modeling waveguides with slots or complementary metamaterial elements patterned into one of the surfaces.

Geomagnetic cutoffs: A review for space dosimetry applications

NASA Astrophysics Data System (ADS)

Smart, D. F.; Shea, M. A.

1994-10-01

The earth's magnetic field acts as a shield against charged particle radiation from interplanetary space, technically described as the geomagnetic cutoff. The cutoff rigidity problem (except for the dipole special case) has 'no solution in closed form'. The dipole case yields the Stormer equation which has been repeatedly applied to the earth in hopes of providing useful approximations of cutoff rigidities. Unfortunately the earth's magnetic field has significant deviations from dipole geometry, and the Stormer cutoffs are not adequate for most applications. By application of massive digital computer power it is possible to determine realistic geomagnetic cutoffs derived from high order simulation of the geomagnetic field. Using this technique, 'world-grids' of directional cutoffs for the earth's surface and for a limited number of satellite altitudes have been derived. However, this approach is so expensive and time comsuming it is impractical for most spacecraft orbits, and approximations must be used. The world grids of cutoff rigidities are extensively used as lookup tables, normalization points and interpolation aids to estimate the effective geomagnetic cutoff rigidity of a specific location in space. We review the various options for estimating the cutoff rigidity for earth-orbiting satellites.

Elastic dipoles of point defects from atomistic simulations

NASA Astrophysics Data System (ADS)

Varvenne, Céline; Clouet, Emmanuel

2017-12-01

The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

Far-field potentials in cylindrical and rectangular volume conductors.

PubMed

Dumitru, D; King, J C; Rogers, W E

1993-07-01

The occurrence of a transient dipole is one method of producing a far-field potential. This investigation qualitatively defines the characteristics of the near-field and far-field electrical potentials produced by a transient dipole in both cylindrical and rectangular volume conductors. Most body segments of electrophysiologic interest such as arms, legs, thorax, and neck are roughly cylindrical in shape. A centrally located dipole generator produces a nonzero equipotential region which is found to occur along the cylindrical wall at a distance from the dipole of approximately 1.4 times the cylinder's radius and 1.9 times the cylinder's radius for the center of the cylinder. This distance to the equi-potential zone along the surface wall expands but remains less than 3.0 times the cylindrical radius when the dipole is eccentrically placed. The magnitude of the equipotential region resulting from an asymmetrically placed dipole remains identical to that when the dipole is centrally located. This behavior is found to be very similar in rectangular shallow conducting volumes that model a longitudinal slice of the cylinder, thus allowing a simple experimental model of the cylinder to be utilized. Amplitudes of the equipotential region are inversely proportional to the cylindrical or rectangular volume's cross-sectional area at the location of dipolar imbalance. This study predicts that referential electrode montages, when placed at 3.0 times the radius or greater from a dipolar axially aligned far-field generator in cylindrical homogeneous volume conductors, will record only equipotential far-field effects.

Measurement of IR optics with linear coupling's action-angle parametrization

NASA Astrophysics Data System (ADS)

Luo, Y.; Bai, M.; Pilat, F.; Satogata, T.; Trbojevic, D.

2005-08-01

Linear coupling’s action-angle parametrization is convenient for interpretation of turn-by-turn beam position monitor (BPM) data. We demonstrate how to apply this parametrization to extract Twiss and coupling parameters in interaction regions (IRs), using BPMs on each side of a long IR drift region. Example data were acquired at the Relativistic Heavy Ion Collider, using an ac dipole to excite a single transverse eigenmode. We have measured the waist of the β function and its Twiss and coupling parameters.

Nanoparticle-Enhanced Silver-Nanowire Plasmonic Electrodes for High-Performance Organic Optoelectronic Devices.

PubMed

Kim, Taehyo; Kang, Saewon; Heo, Jungwoo; Cho, Seungse; Kim, Jae Won; Choe, Ayoung; Walker, Bright; Shanker, Ravi; Ko, Hyunhyub; Kim, Jin Young

2018-05-21

Improved performance in plasmonic organic solar cells (OSCs) and organic light-emitting diodes (OLEDs) via strong plasmon-coupling effects generated by aligned silver nanowire (AgNW) transparent electrodes decorated with core-shell silver-silica nanoparticles (Ag@SiO 2 NPs) is demonstrated. NP-enhanced plasmonic AgNW (Ag@SiO 2 NP-AgNW) electrodes enable substantially enhanced radiative emission and light absorption efficiency due to strong hybridized plasmon coupling between localized surface plasmons (LSPs) and propagating surface plasmon polaritons (SPPs) modes, which leads to improved device performance in organic optoelectronic devices (OODs). The discrete dipole approximation (DDA) calculation of the electric field verifies a strongly enhanced plasmon-coupling effect caused by decorating core-shell Ag@SiO 2 NPs onto the AgNWs. Notably, an electroluminescence efficiency of 25.33 cd A -1 (at 3.2 V) and a power efficiency of 25.14 lm W -1 (3.0 V) in OLEDs, as well as a power conversion efficiency (PCE) value of 9.19% in OSCs are achieved using hybrid Ag@SiO 2 NP-AgNW films. These are the highest values reported to date for optoelectronic devices based on AgNW electrodes. This work provides a new design platform to fabricate high-performance OODs, which can be further explored in various plasmonic and optoelectronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Generation of the September 29, 2009 Samoa Tsunami: Examination of a Possible Non-Double Couple Component (Invited)

NASA Astrophysics Data System (ADS)

Geist, E. L.; Kirby, S. H.; Ross, S.; Dartnell, P.

2009-12-01

A non-double couple component associated with the Mw=8.0 September 29, 2009 Samoa earthquake is investigated to explain direct tsunami arrivals at deep-ocean pressure sensors (i.e., DART stations). In particular, we seek a tsunami generation model that correctly predicts the polarity of first motions: negative at the Apia station (#51425) NW of the epicenter and positive at the Tonga (#51426) and Aukland (#54401) stations south of the epicenter. Slip on a single, finite fault corresponding to either nodal plane of the best-fitting double couple fails to predict the positive first-motion polarity observed at the southerly (Tonga and Aukland) DART stations. The Samoa earthquake has a significant non-double component as measured by the compensated linear vector dipole (CLVD) ratio that ranges from |ɛ|=0.15 (USGS CMT) to |ɛ| =0.37 (Global CMT). To test what effect the non-double component has on tsunami generation, the static elastic displacement field at the sea floor is computed from the full moment tensor. This displacement field represents the initial conditions for tsunami propagation computed using a finite-difference approximation to the linear shallow-water wave equations. The tsunami waveforms calculated from the full moment tensor are consistent with the observed polarities at all of the DART stations. The static displacement field is then decomposed into double-couple and non-double couple components to determine the relative contribution of each to the tsunami wavefield. Although a point-source approximation to the tsunami source is typically inadequate at near-field and regional distances, finite-fault inversions of the 2009 Samoa earthquake indicate that peak slip is spatially concentrated near the hypocenter, suggesting that the point-source representation may be acceptable in this case. Generation of the 2009 Samoa tsunami may involve earthquake rupture on multiple faults and/or along curved faults, both of which are observed from multibeam bathymetry in the epicentral region. The exact rupture path of the earthquake is presently unclear. It is evident from seismological and tsunami observations of the 2009 Samoa event, however, that uniform slip on a single, planar fault cannot explain all aspects of the observed tsunami wavefield.

A novel background field removal method for MRI using projection onto dipole fields (PDF).

PubMed

Liu, Tian; Khalidov, Ildar; de Rochefort, Ludovic; Spincemaille, Pascal; Liu, Jing; Tsiouris, A John; Wang, Yi

2011-11-01

For optimal image quality in susceptibility-weighted imaging and accurate quantification of susceptibility, it is necessary to isolate the local field generated by local magnetic sources (such as iron) from the background field that arises from imperfect shimming and variations in magnetic susceptibility of surrounding tissues (including air). Previous background removal techniques have limited effectiveness depending on the accuracy of model assumptions or information input. In this article, we report an observation that the magnetic field for a dipole outside a given region of interest (ROI) is approximately orthogonal to the magnetic field of a dipole inside the ROI. Accordingly, we propose a nonparametric background field removal technique based on projection onto dipole fields (PDF). In this PDF technique, the background field inside an ROI is decomposed into a field originating from dipoles outside the ROI using the projection theorem in Hilbert space. This novel PDF background removal technique was validated on a numerical simulation and a phantom experiment and was applied in human brain imaging, demonstrating substantial improvement in background field removal compared with the commonly used high-pass filtering method. Copyright © 2011 John Wiley & Sons, Ltd.

1,2-Difluoroethane: the angular dependance on 1J(CF) coupling constants is independent of hyperconjugation.

PubMed

Freitas, Matheus P; Bühl, Michael; O'Hagan, David

2012-02-28

1,2-Difluoroethane is widely recognised to adopt a lower energy gauche rather than anti conformation; this gauche effect has its origin in hyperconjugation; however, surprisingly the (1)J(CF) coupling constant is not influenced by hyperconjugation; instead, its magnitude changes with the overall molecular dipole. This journal is © The Royal Society of Chemistry 2012

Coupling single giant nanocrystal quantum dots to the fundamental mode of patch nanoantennas through fringe field

DOE PAGES

Wang, Feng; Karan, Niladri S.; Minh Nguyen, Hue; ...

2015-09-23

Through single dot spectroscopy and numerical simulation studies, we demonstrate that the fundamental mode of gold patch nanoantennas have fringe-field resonance capable of enhancing the nano-emitters coupled around the edge of the patch antenna. This fringe-field coupling is used to enhance the radiative rates of core/thick-shell nanocrystal quantum dots (g-NQDs) that cannot be embedded into the ultra-thin dielectric gap of patch nanoantennas due to their large sizes. We attain 14 and 3 times enhancements in single exciton radiative decay rate and bi-exciton emission efficiencies of g-NQDs respectively, with no detectable metal quenching. Our numerical studies confirmed our experimental results andmore » further reveal that patch nanoantennas can provide strong emission enhancement for dipoles lying not only in radial direction of the circular patches but also in the direction normal to the antennas surface. Finally, this provides a distinct advantage over the parallel gap-bar antennas that can provide enhancement only for the dipoles oriented across the gap.« less

Vacuum-induced coherence in quantum dot systems

NASA Astrophysics Data System (ADS)

Sitek, Anna; Machnikowski, Paweł

2012-11-01

We present a theoretical study of vacuum-induced coherence in a pair of vertically stacked semiconductor quantum dots. The process consists in a coherent excitation transfer from a single-exciton state localized in one dot to a delocalized state in which the exciton occupation gets trapped. We study the influence of the factors characteristic of quantum dot systems (as opposed to natural atoms): energy mismatch, coupling between the single-exciton states localized in different dots, and different and nonparallel dipoles due to sub-band mixing, as well as coupling to phonons. We show that the destructive effect of the energy mismatch can be overcome by an appropriate interplay of the dipole moments and coupling between the dots which allows one to observe the trapping effect even in a structure with technologically realistic energy splitting of the order of milli-electron volts. We also analyze the impact of phonon dynamics on the occupation trapping and show that phonon effects are suppressed in a certain range of system parameters. This analysis shows that the vacuum-induced coherence effect and the associated long-living trapped excitonic population can be achieved in quantum dots.

Zeroth order regular approximation approach to electric dipole moment interactions of the electron.

PubMed

Gaul, Konstantin; Berger, Robert

2017-07-07

A quasi-relativistic two-component approach for an efficient calculation of P,T-odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex generalized Hartree-Fock and a complex generalized Kohn-Sham scheme within the zeroth order regular approximation. In applications to select heavy-elemental polar diatomic molecular radicals, which are promising candidates for an eEDM experiment, the method is compared to relativistic four-component electron-correlation calculations and confirms values for the effective electric field acting on the unpaired electron for RaF, BaF, YbF, and HgF. The calculations show that purely relativistic effects, involving only the lower component of the Dirac bi-spinor, are well described by treating only the upper component explicitly.

Zeroth order regular approximation approach to electric dipole moment interactions of the electron

NASA Astrophysics Data System (ADS)

Gaul, Konstantin; Berger, Robert

2017-07-01

A quasi-relativistic two-component approach for an efficient calculation of P ,T -odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex generalized Hartree-Fock and a complex generalized Kohn-Sham scheme within the zeroth order regular approximation. In applications to select heavy-elemental polar diatomic molecular radicals, which are promising candidates for an eEDM experiment, the method is compared to relativistic four-component electron-correlation calculations and confirms values for the effective electric field acting on the unpaired electron for RaF, BaF, YbF, and HgF. The calculations show that purely relativistic effects, involving only the lower component of the Dirac bi-spinor, are well described by treating only the upper component explicitly.

Mutual capture of dipolar molecules at low and very low energies. I. Approximate analytical treatment.

PubMed

Nikitin, E E; Troe, J

2010-09-16

Approximate analytical expressions are derived for the low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0,1 and j(2) = 1,0) states. The considered range extends from the quantum, ultralow energy regime, characterized by s-wave capture, to the classical regime described within fly wheel and adiabatic channel approaches, respectively. This is illustrated by the table of contents graphic (available on the Web) that shows the scaled rate coefficients for the mutual capture of rotors in the resonant state versus the reduced wave vector between the Bethe zero-energy (left arrows) and classical high-energy (right arrow) limits for different ratios δ of the dipole-dipole to dispersion interaction.

Determining partial differential cross sections for low-energy electron photodetachment involving conical intersections using the solution of a Lippmann-Schwinger equation constructed with standard electronic structure techniques.

PubMed

Han, Seungsuk; Yarkony, David R

2011-05-07

A method for obtaining partial differential cross sections for low energy electron photodetachment in which the electronic states of the residual molecule are strongly coupled by conical intersections is reported. The method is based on the iterative solution to a Lippmann-Schwinger equation, using a zeroth order Hamiltonian consisting of the bound nonadiabatically coupled residual molecule and a free electron. The solution to the Lippmann-Schwinger equation involves only standard electronic structure techniques and a standard three-dimensional free particle Green's function quadrature for which fast techniques exist. The transition dipole moment for electron photodetachment, is a sum of matrix elements each involving one nonorthogonal orbital obtained from the solution to the Lippmann-Schwinger equation. An expression for the electron photodetachment transition dipole matrix element in terms of Dyson orbitals, which does not make the usual orthogonality assumptions, is derived.

Contribution from neutrino Yukawa couplings to lepton electric dipole moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farzan, Yasaman; Scuola Internazionale di Studi Avanzati; Peskin, Michael E.

2004-11-01

To explain the observed neutrino masses through the seesaw mechanism, a supersymmetric generalization of the standard model should include heavy right-handed neutrino supermultiplets. Then the neutrino Yukawa couplings can induce CP violation in the lepton sector. In this paper, we compute the contribution of these CP violating terms to lepton electric dipole moments. We introduce a new formalism that makes use of supersymmetry to expose the Glashow-Iliopoulos-Maiani cancellations. In the region of small tan{beta}, we find a different result from that given previously by Ellis, Hisano, Raidal, and Shimizu. We confirm the structure found by this group, but with amore » much smaller overall coefficient. In the region of large tan{beta}, we recompute the leading term that has been identified by Masina and confirm her result up to minor factors. We discuss the implications of these results for constraints on the Y{sub {nu}}.« less

The Contribution from Neutrino Yukawa Couplings to Lepton Electric Dipole Moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farzan, Y

2004-05-24

To explain the observed neutrino masses through the seesaw mechanism, a supersymmetric generalization of the Standard Model should include heavy right-handed neutrino supermultiplets. Then the neutrino Yukawa couplings can induce CP violation in the lepton sector. In this paper, we compute the contribution of these CP violating terms to lepton electric dipole moments. We introduce a new formalism that makes use of supersymmetry to expose the GIM cancellations. In the region of small tan {beta}, we find a different result from that given previously by Ellis, Hisano, Raidal, and Shimizu. We confirm the structure found by this group, but withmore » a much smaller overall coefficient. In the region of large tan {beta}, we recompute the leading term that has been identified by Masina and confirm her result up to minor factors. We discuss the implications of these results for constraints on the Y{sub v}.« less

Molecular magnetism of M6 hexagon ring in D(3d) symmetric [(MCl)6(XW9O33)2](12-) (M = Cu(II) and Mn(II), X = Sb(III) and As(III)).

PubMed

Yamase, Toshihiro; Ishikawa, Hirofumi; Abe, Hiroko; Fukaya, Keisuke; Nojiri, Hiroyuki; Takeuchi, Hideo

2012-04-16

Ferromagnetic [n-BuNH(3)](12)[(CuCl)(6)(SbW(9)O(33))(2)]·6H(2)O (1) and antiferromagnetic [n-BuNH(3)](12)[(MnCl)(6)(AsW(9)O(33))(2)]·6H(2)O (4) have been synthesized and structurally and magnetically characterized. Two complexes are structural analogues of [n-BuNH(3)](12)[(CuCl)(6)(AsW(9)O(33))(2)]·6H(2)O (2) and [n-BuNH(3)](12)[(MnCl)(6)(SbW(9)O(33))(2)]·6H(2)O (3) with their ferromagnetic interactions, first reported by us in 2006. (1) When variable temperature (T) direct current (dc) magnetic susceptibility (χ(M)) data are analyzed with the isotropic exchange Hamiltonian for the magnetic exchange interactions, χ(M)T vs T curves fitted by a full matrix diagonalization (for 1) and by the Kambe vector coupling method/Van Vleck's approximation (for 4) yield J = +29.5 and -0.09 cm(-1) and g = 2.3 and 1.9, respectively. These J values were significantly distinguished from +61.0 and +0.14 cm(-1) for 2 and 3, respectively. The magnetization under the pulsed field (up to 10(3) T/s) at 0.5 K exhibits hysteresis loops in the adiabatic process, and the differential magnetization (dM/dB) plots against the pulsed field display peaks characteristic of resonant quantum tunneling of magnetization (QTM) at Zeeman crossed fields, indicating single-molecule magnets for 1-3. High-frequency ESR (HFESR) spectroscopy on polycrystalline samples provides g(∥) = 2.30, g(⊥) = 2.19, and D = -0.147 cm(-1) for 1 (S = 3 ground state), g(∥) = 2.29, g(⊥) = 2.20, and D = -0.145 cm(-1) for 2 (S = 3), and g(∥) = 2.03 and D = -0.007 cm(-1) for 3 (S = 15). An attempt to rationalize the magnetostructural correlation among 1-4, the structurally and magnetically modified D(3d)-symmetric M (=Cu(II) and Mn(II))(6) hexagons sandwiched by two diamagnetic α-B-[XW(9)O(33)](9-) (X = Sb(III) and As(III)) ligands through M-(μ(3)-O)-W linkages, is made. The strongest ferromagnetic coupling for the Cu(6) hexagon of 2, the structure of which approximately provides the Cu(6)(μ(3)-O)(12) cylindrical geometry, is demonstrated by the polarization mechanism based on the point-dipole approximation, which provides a decrease of the ferromagnetic interaction due to the out-of-cylinder deviation of the Cu atoms for 1. The different nature of the magnetic exchange interaction in 3 and 4 is understood by the combined effect of the out-of plane deviation (the largest for 4) of the Mn atoms from the Mn(μ(3)-O)(2)Mn least-squares plane and the antiferromagnetic contribution arising from the large Mn-O-Mn bond angle. The primary contribution to D is discussed in terms of the magnetic dipole-dipole interaction between the electrons located on the magnetic sites in the M(6) hexagon. © 2012 American Chemical Society

Study of top quark dipole interactions in t t \\xAF production associated with two heavy gauge bosons at the LHC

NASA Astrophysics Data System (ADS)

Etesami, Seyed Mohsen; Khatibi, Sara; Mohammadi Najafabadi, Mojtaba

2018-04-01

In this paper, we investigate the prospects of measuring the strong and weak dipole moments of the top quark at the Large Hadron Collider (LHC). Measurements of these couplings provide an excellent opportunity to probe new physics interactions as they have quite small magnitudes in the standard model. Our analyses are performed using the production cross sections of t t ¯W W and t t ¯Z Z processes in the same sign dilepton and four-lepton final states, respectively. The sensitivities to strong and weak top quark dipole interactions at the 95% confidence level for various integrated luminosity scenarios are derived and compared with other studies. To estimate the constraints, the main source of backgrounds and a realistic simulation of the detector response are considered.

Improving Planck calibration by including frequency-dependent relativistic corrections

NASA Astrophysics Data System (ADS)

Quartin, Miguel; Notari, Alessio

2015-09-01

The Planck satellite detectors are calibrated in the 2015 release using the "orbital dipole", which is the time-dependent dipole generated by the Doppler effect due to the motion of the satellite around the Sun. Such an effect has also relativistic time-dependent corrections of relative magnitude 10-3, due to coupling with the "solar dipole" (the motion of the Sun compared to the CMB rest frame), which are included in the data calibration by the Planck collaboration. We point out that such corrections are subject to a frequency-dependent multiplicative factor. This factor differs from unity especially at the highest frequencies, relevant for the HFI instrument. Since currently Planck calibration errors are dominated by systematics, to the point that polarization data is currently unreliable at large scales, such a correction can in principle be highly relevant for future data releases.

Photocell Optimization Using Dark State Protection.

PubMed

Fruchtman, Amir; Gómez-Bombarelli, Rafael; Lovett, Brendon W; Gauger, Erik M

2016-11-11

Conventional photocells suffer a fundamental efficiency threshold imposed by the principle of detailed balance, reflecting the fact that good absorbers must necessarily also be fast emitters. This limitation can be overcome by "parking" the energy of an absorbed photon in a dark state which neither absorbs nor emits light. Here we argue that suitable dark states occur naturally as a consequence of the dipole-dipole interaction between two proximal optical dipoles for a wide range of realistic molecular dimers. We develop an intuitive model of a photocell comprising two light-absorbing molecules coupled to an idealized reaction center, showing asymmetric dimers are capable of providing a significant enhancement of light-to-current conversion under ambient conditions. We conclude by describing a road map for identifying suitable molecular dimers for demonstrating this effect by screening a very large set of possible candidate molecules.

Angle-resolved Wigner time delay in atomic photoionization: The 4 d subshell of free and confined Xe

NASA Astrophysics Data System (ADS)

Mandal, A.; Deshmukh, P. C.; Kheifets, A. S.; Dolmatov, V. K.; Manson, S. T.

2017-11-01

The angular dependence of photoemission time delay for the inner n d3 /2 and n d5 /2 subshells of free and confined Xe is studied in the dipole relativistic random phase approximation. A finite spherical annular well potential is used to model the confinement due to fullerene C60 cage. Near cancellations in a variety of the dipole amplitudes, Cooper-like minima, are found. The effects of confinement on the angular dependence, primarily confinement resonances, are demonstrated and detailed.

Numerical evaluation of electromagnetic fields due to dipole antennas in the presence of stratified media

NASA Technical Reports Server (NTRS)

Tsang, L.; Brown, R.; Kong, J. A.; Simmons, G.

1974-01-01

Two numerical methods are used to evaluate the integrals that express the em fields due to dipole antennas radiating in the presence of a stratified medium. The first method is a direct integration by means of Simpson's rule. The second method is indirect and approximates the kernel of the integral by means of the fast Fourier transform. In contrast to previous analytical methods that applied only to two-layer cases the numerical methods can be used for any arbitrary number of layers with general properties.

Modeling the global positioning system signal propagation through the ionosphere

NASA Technical Reports Server (NTRS)

Bassiri, S.; Hajj, G. A.

1992-01-01

Based on realistic modeling of the electron density of the ionosphere and using a dipole moment approximation for the Earth's magnetic field, one is able to estimate the effect of the ionosphere on the Global Positioning System (GPS) signal for a ground user. The lowest order effect, which is on the order of 0.1-100 m of group delay, is subtracted out by forming a linear combination of the dual frequencies of the GPS signal. One is left with second- and third-order effects that are estimated typically to be approximately 0-2 cm and approximately 0-2 mm at zenith, respectively, depending on the geographical location, the time of day, the time of year, the solar cycle, and the relative geometry of the magnetic field and the line of sight. Given the total electron content along a line of sight, the authors derive an approximation to the second-order term which is accurate to approximately 90 percent within the magnetic dipole moment model; this approximation can be used to reduce the second-order term to the millimeter level, thus potentially improving precise positioning in space and on the ground. The induced group delay, or phase advance, due to second- and third-order effects is examined for two ground receivers located at equatorial and mid-latitude regions tracking several GPS satellites.

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedorov, Dmitry A.; Varganov, Sergey A., E-mail: svarganov@unr.edu; Derevianko, Andrei

2014-05-14

We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X{sup 1}Σ{sup +} electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtainingmore » the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm{sup −1} for LiNa and by no more than 114 cm{sup −1} for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm{sup −1}, and the discrepancies for the anharmonic correction are less than 0.1 cm{sup −1}. We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.« less

The electric dipole moment of DNA-binding HU protein calculated by the use of an NMR database.

PubMed

Takashima, S; Yamaoka, K

1999-08-30

Electric birefringence measurements indicated the presence of a large permanent dipole moment in HU protein-DNA complex. In order to substantiate this observation, numerical computation of the dipole moment of HU protein homodimer was carried out by using NMR protein databases. The dipole moments of globular proteins have hitherto been calculated with X-ray databases and NMR data have never been used before. The advantages of NMR databases are: (a) NMR data are obtained, unlike X-ray databases, using protein solutions. Accordingly, this method eliminates the bothersome question as to the possible alteration of the protein structure due to the transition from the crystalline state to the solution state. This question is particularly important for proteins such as HU protein which has some degree of internal flexibility; (b) the three-dimensional coordinates of hydrogen atoms in protein molecules can be determined with a sufficient resolution and this enables the N-H as well as C = O bond moments to be calculated. Since the NMR database of HU protein from Bacillus stearothermophilus consists of 25 models, the surface charge as well as the core dipole moments were computed for each of these structures. The results of these calculations show that the net permanent dipole moments of HU protein homodimer is approximately 500-530 D (1 D = 3.33 x 10(-30) Cm) at pH 7.5 and 600-630 D at the isoelectric point (pH 10.5). These permanent dipole moments are unusually large for a small protein of the size of 19.5 kDa. Nevertheless, the result of numerical calculations is compatible with the electro-optical observation, confirming a very large dipole moment in this protein.

Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi.

PubMed

Le, Anh; Steimle, Timothy C; Morse, Michael D; Garcia, Maria A; Cheng, Lan; Stanton, John F

2013-12-19

The (6,0)[16.0]1.5-X(2)Δ(5/2) and (7,0)[16.0]3.5-X(2)Δ(5/2) bands of IrSi have been recorded using high-resolution laser-induced fluorescence spectroscopy. The field-free spectra of the (191)IrSi and (193)IrSi isotopologues were modeled to generate a set of fine, magnetic hyperfine, and nuclear quadrupole hyperfine parameters for the X(2)Δ(5/2)(v = 0), [16.0]1.5(v = 6), and [16.0]3.5 (v = 7) states. The observed optical Stark shifts for the (193)IrSi and (191)IrSi isotopologues were analyzed to produce the permanent electric dipole moments, μ(el), of -0.414(6) D and 0.782(6) D for the X(2)Δ(5/2) and [16.0]1.5 (v = 6) states, respectively. Properties of the X(2)Δ(5/2) state computed using relativistic coupled-cluster methods clearly indicate that electron correlation plays an essential role. Specifically, inclusion of correlation changes the sign of the dipole moment and is essential for achieving good accuracy for the nuclear quadrupole coupling parameter eQq0.

Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas

NASA Astrophysics Data System (ADS)

Chaudhuri, Supriya K.; Mukherjee, Prasanta K.; Chaudhuri, Rajat K.; Chattopadhyay, Sudip

2018-04-01

The equation of motion coupled cluster methodology within relativistic framework has been applied to analyze the electron correlation effects on the low lying dipole allowed excited states of Ne and Al3+ under classical and quantum plasma environments. The effect of confinement due to classical plasma has been incorporated through screened Coulomb potential, while that of quantum plasma has been treated by exponential cosine screened Coulomb potential. The confined structural properties investigated are the depression of ionization potential, low lying excitation energies (dipole allowed), oscillator strengths, transition probabilities, and frequency dependent polarizabilities under systematic variation of the plasma-atom coupling strength determined through the screening parameter. Specific atomic systems are chosen for their astrophysical importance and availability of experimental data related to laboratory plasma with special reference to Al3+ ion. Here, we consider 1 s22 s22 p6(1S0)→1 s22 s22 p5 n s /n d (1P1) (n =3 ,4 ) dipole allowed transitions of Ne and Al3+. Results for the free (isolated) atomic systems agree well with those available in the literature. Spectroscopic properties under confinement show systematic and interesting pattern with respect to plasma screening parameter.

Understanding the effect of size and shape of gold nanomaterials on nanometal surface energy transfer.

PubMed

Rakshit, Soumyadipta; Moulik, Satya Priya; Bhattacharya, Subhash Chandra

2017-04-01

Gold Nanomaterials (GNMs) interact with fluorophores via electromagnetic coupling under excitation. In this particular work we carried out (to the best of our knowledge for the first time) a comprehensive study of systematic quenching of a blue emitter 2-Anthracene Sulfonate (2-AS) in the presence of gold nanoparticles of different size and shape. We synthesized gold nanomaterials of four different dimensions [nanoparticle (0D), nanorod (1D), nanotriangle (2D) and nanobipyramids (3D)] and realized the underlying effect on the emitting dipole in terms of steady and time resolved fluorescence. Nanometal Surface Energy Transfer (NSET) has already been proved to be the best long range spectroscopic ruler so far. Many attempts have been made to understand the interaction between a fluorescent molecule and gold nanomaterials. But not a single model can interpret alone the interaction phenomena. We have opted three different models to compare the experimental and theoretical data. Due to the presence of size dependent absorptivity and dielectric function, modified CPS-Kuhn model was proved to be the worthiest to comprehend variance of behavior of an emitting dipole in close proximity to nanometal surface by coupling with the image dipole of gold nanomaterials. Copyright © 2016 Elsevier Inc. All rights reserved.

Channel branching ratios in CH2CN- photodetachment: Rotational structure and vibrational energy redistribution in autodetachment

NASA Astrophysics Data System (ADS)

Lyle, Justin; Wedig, Olivia; Gulania, Sahil; Krylov, Anna I.; Mabbs, Richard

2017-12-01

We report photoelectron spectra of CH2CN-, recorded at photon energies between 13 460 and 15 384 cm-1, which show rapid intensity variations in particular detachment channels. The branching ratios for various spectral features reveal rotational structure associated with autodetachment from an intermediate anion state. Calculations using equation-of-motion coupled-cluster method with single and double excitations reveal the presence of two dipole-bound excited anion states (a singlet and a triplet). The computed oscillator strength for the transition to the singlet dipole-bound state provides an estimate of the autodetachment channel contribution to the total photoelectron yield. Analysis of the different spectral features allows identification of the dipole-bound and neutral vibrational levels involved in the autodetachment processes. For the most part, the autodetachment channels are consistent with the vibrational propensity rule and normal mode expectation. However, examination of the rotational structure shows that autodetachment from the ν3 (v = 1 and v = 2) levels of the dipole-bound state displays behavior counter to the normal mode expectation with the final state vibrational level belonging to a different mode.

Static electric dipole polarizability of lithium atoms in Debye plasmas

NASA Astrophysics Data System (ADS)

Ning, Li-Na; Qi, Yue-Ying

2012-12-01

The static electric dipole polarizabilities of the ground state and n <= 3 excited states of a lithium atom embedded in a weekly coupled plasma environment are investigated as a function of the plasma screening radium. The plasma screening of the Coulomb interaction is described by the Debye—Hückel potential and the interaction between the valence electron and the atomic core is described by a model potential. The electron energies and wave functions for both the bound and continuum states are calculated by solving the Schrödinger equation numerically using the symplectic integrator. The oscillator strengths, partial-wave, and total static dipole polarizabilities of the ground state and n <= 3 excited states of the lithium atom are calculated. Comparison of present results with those of other authors, when available, is made. The results for the 2s ground state demonstrated that the oscillator strengths and the static dipole polarizabilities from np orbitals do not always increase or decrease with the plasma screening effect increasing, unlike that for hydrogen-like ions, especially for 2s→3p transition there is a zero value for both the oscillator strength and the static dipole polarizability for screening length D = 10.3106a0, which is associated with the Cooper minima.

The structure and thermal motion of the B800-850 LH2 complex from Rps.acidophila at 2.0A resolution and 100K: new structural features and functionally relevant motions.

PubMed

Papiz, Miroslav Z; Prince, Steve M; Howard, Tina; Cogdell, Richard J; Isaacs, Neil W

2003-03-07

The structure at 100K of integral membrane light-harvesting complex II (LH2) from Rhodopseudomonas acidophila strain 10050 has been refined to 2.0A resolution. The electron density has been significantly improved, compared to the 2.5A resolution map, by high resolution data, cryo-cooling and translation, libration, screw (TLS) refinement. The electron density reveals a second carotenoid molecule, the last five C-terminal residues of the alpha-chain and a carboxy modified alpha-Met1 which forms the ligand of the B800 bacteriochlorophyll. TLS refinement has enabled the characterisation of displacements between molecules in the complex. B850 bacteriochlorophyll molecules are arranged in a ring of 18 pigments composed of nine approximate dimers. These pigments are strongly coupled and at their equilibrium positions the excited state dipole interaction energies, within and between dimers, are approximately 370cm(-1) and 280cm(-1), respectively. This difference in coupling energy is similar in magnitude to changes in interaction energies arising from the pigment displacements described by TLS tensors. The displacements appear to be non-random in nature and appear to be designed to optimise the modulation of pigment energy interactions. This is the first time that LH2 pigment displacements have been quantified experimentally. The calculated energy changes indicate that there may be significant contributions to inter-pigment energy interactions from molecular displacements and these may be of importance to photosynthetic energy transfer.

2D THz-THz-Raman Photon-Echo Spectroscopy of Molecular Vibrations in Liquid Bromoform.

PubMed

Finneran, Ian A; Welsch, Ralph; Allodi, Marco A; Miller, Thomas F; Blake, Geoffrey A

2017-09-21

Fundamental properties of molecular liquids are governed by long-range interactions that most prominently manifest at terahertz (THz) frequencies. Here we report the detection of nonlinear THz photon-echo (rephasing) signals in liquid bromoform using THz-THz-Raman spectroscopy. Together, the many observed signatures span frequencies from 0.5 to 8.5 THz and result from couplings between thermally populated ladders of vibrational states. The strongest peaks in the spectrum are found to be multiquantum dipole and 1-quantum polarizability transitions and may arise from nonlinearities in the intramolecular dipole moment surface driven by intermolecular interactions.

General point dipole theory for periodic metasurfaces: magnetoelectric scattering lattices coupled to planar photonic structures.

PubMed

Chen, Yuntian; Zhang, Yan; Femius Koenderink, A

2017-09-04

We study semi-analytically the light emission and absorption properties of arbitrary stratified photonic structures with embedded two-dimensional magnetoelectric point scattering lattices, as used in recent plasmon-enhanced LEDs and solar cells. By employing dyadic Green's function for the layered structure in combination with the Ewald lattice summation to deal with the particle lattice, we develop an efficient method to study the coupling between planar 2D scattering lattices of plasmonic, or metamaterial point particles, coupled to layered structures. Using the 'array scanning method' we deal with localized sources. Firstly, we apply our method to light emission enhancement of dipole emitters in slab waveguides, mediated by plasmonic lattices. We benchmark the array scanning method against a reciprocity-based approach to find that the calculated radiative rate enhancement in k-space below the light cone shows excellent agreement. Secondly, we apply our method to study absorption-enhancement in thin-film solar cells mediated by periodic Ag nanoparticle arrays. Lastly, we study the emission distribution in k-space of a coupled waveguide-lattice system. In particular, we explore the dark mode excitation on the plasmonic lattice using the so-called array scanning method. Our method could be useful for simulating a broad range of complex nanophotonic structures, i.e., metasurfaces, plasmon-enhanced light emitting systems and photovoltaics.

Large-scale deformed quasiparticle random-phase approximation calculations of the γ -ray strength function using the Gogny force

NASA Astrophysics Data System (ADS)

Martini, M.; Péru, S.; Hilaire, S.; Goriely, S.; Lechaftois, F.

2016-07-01

Valuable theoretical predictions of nuclear dipole excitations in the whole chart are of great interest for different nuclear applications, including in particular nuclear astrophysics. Here we present large-scale calculations of the E 1 γ -ray strength function obtained in the framework of the axially symmetric deformed quasiparticle random-phase approximation based on the finite-range Gogny force. This approach is applied to even-even nuclei, the strength function for odd nuclei being derived by interpolation. The convergence with respect to the adopted number of harmonic oscillator shells and the cutoff energy introduced in the 2-quasiparticle (2 -q p ) excitation space is analyzed. The calculations performed with two different Gogny interactions, namely D1S and D1M, are compared. A systematic energy shift of the E 1 strength is found for D1M relative to D1S, leading to a lower energy centroid and a smaller energy-weighted sum rule for D1M. When comparing with experimental photoabsorption data, the Gogny-QRPA predictions are found to overestimate the giant dipole energy by typically ˜2 MeV. Despite the microscopic nature of our self-consistent Hartree-Fock-Bogoliubov plus QRPA calculation, some phenomenological corrections need to be included to take into account the effects beyond the standard 2 -q p QRPA excitations and the coupling between the single-particle and low-lying collective phonon degrees of freedom. For this purpose, three prescriptions of folding procedure are considered and adjusted to reproduce experimental photoabsorption data at best. All of them are shown to lead to somewhat similar predictions of the E 1 strength, both at low energies and for exotic neutron-rich nuclei. Predictions of γ -ray strength functions and Maxwellian-averaged neutron capture rates for the whole Sn isotopic chain are also discussed and compared with previous theoretical calculations.

Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salam, A., E-mail: salama@wfu.edu

2013-12-28

The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-orderedmore » diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.« less

Stagnancy of the pygmy dipole resonance

NASA Astrophysics Data System (ADS)

Sun, Xu-Wei; Chen, Jing; Lu, Ding-Hui

2018-01-01

The pygmy dipole resonance (PDR) of nickel isotopes is studied using the deformed random phase approximation method. The isoscalar character of the pygmy resonance is confirmed, and the correlation between the pygmy resonance and neutron skin thickness is discussed. Our investigation shows a linear correlation between PDR integral cross section and neutron skin thickness when the excess neutrons lie in pf orbits, with a correlation rate of about 0.27 fm-1. However, in more neutron-rich nickel isotopes, the growth of the pygmy dipole resonance is stagnant. Although the neutron skin thickness increases, the whole skin is not active. There is an inertial part in the nuclei 70-78Ni which does not participate in the pygmy resonance actively and as a result, contributes little to the photo-absorption cross section. Supported by National Science Foundation of China

Giant Dipole Resonance in light and heavy nuclei beyond selfconsistent mean field theory

NASA Astrophysics Data System (ADS)

Krewald, Siegfried; Lyutorovich, Nikolay; Tselyaev, Victor; Speth, Josef; Gruemmer, Frank; Reinhard, Paul-Gerhard

2012-10-01

While bulk properties of stable nuclei are successfully reproduced by mean-field theories employing effective interactions, the dependence of the centroid energy of the electric giant dipole resonance on the nucleon number A is not. This problem is cured by considering many-particle correlations beyond mean-field theory, which we do within a selfconsistent generalization of the Quasiparticle Time Blocking Approximation [1,2]. The electric giant dipole resonances in ^16O, ^40Ca, and ^208Pb are calculated using two new Skyrme interactions. Perspectives for an extension to effective field theories[3] are discussed.[4pt] [1] V. Tselyaev et al., Phys.Rev.C75, 014315(2007).[0pt] [2] N. Lyutorovich et al., submitted to Phys.Rev.Lett.[0pt] [3] S. Krewald et al., Prog.Part.Nucl.Phys.67, 322(2012).

Energy dissipation of rigid dipoles in a viscous fluid under the action of a time-periodic field: The influence of thermal bath and dipole interaction

NASA Astrophysics Data System (ADS)

Lyutyy, T. V.; Reva, V. V.

2018-05-01

Ferrofluid heating by an external alternating field is studied based on the rigid dipole model, where the magnetization of each particle in a fluid is supposed to be firmly fixed in the crystal lattice. Equations of motion, employing Newton's second law for rotational motion, the condition of rigid body rotation, and the assumption that the friction torque is proportional to angular velocity are used. This oversimplification permits us to expand the model easily: to take into account the thermal noise and interparticle interaction that allows us to estimate from unified positions the role of thermal activation and dipole interaction in the heating process. Our studies are conducted in three stages. The exact expressions for the average power loss of a single particle are obtained within the dynamical approximation. Then, in the stochastic case, the power loss of a single particle is estimated analytically using the Fokker-Planck equation and numerically using the effective Langevin equation. Finally, the power loss for the particle ensemble is obtained using the molecular dynamics method. Here, the local dipole fields are calculated approximately based on the Barnes-Hut algorithm. The revealed trends in the behavior of both a single particle and the particle ensemble suggest the way of choosing the conditions for obtaining the maximum heating efficiency. The competitiveness character of the interparticle interaction and thermal noise is investigated in detail. Two situations, when the thermal noise rectifies the power loss reduction caused by the interaction, are described. The first of them is related to the complete destruction of dense clusters at high noise intensity. The second one originates from the rare switching of the particles in clusters due to thermal activation, when the noise intensity is relatively weak. In this way, the constructive role of noise appears in the system.

A Lenz's law experiment revisited

NASA Astrophysics Data System (ADS)

Sawicki, Charles A.

2000-10-01

A dipole magnet model predicts a terminal velocity VT proportional to 1/n for n attached identical cylindrical magnets dropped down a copper pipe. Experiments show that VT increases approximately linearly with n. The explanation for this difference is presented.

Ro-vibronic transition intensities for triatomic molecules from the exact kinetic energy operator; electronic spectrum for the C̃ 1B2 ← X̃ 1A1 transition in SO2.

PubMed

Zak, Emil J; Tennyson, Jonathan

2017-09-07

A procedure for calculating ro-vibronic transition intensities for triatomic molecules within the Born-Oppenheimer approximation is reported. Ro-vibrational energy levels and wavefunctions are obtained with the DVR3D suite, which solves the nuclear motion problem with an exact kinetic energy operator. Absolute transition intensities are calculated both with the Franck-Condon approximation and with a full transition dipole moment surface. The theoretical scheme is tested on C̃  1 B 2  ← X̃  1 A 1 ro-vibronic transitions of SO 2 . Ab initio potential energy and dipole moment surfaces are generated for this purpose. The calculated ro-vibronic transition intensities and cross sections are compared with the available experimental and theoretical data.

Accurate Computation of Electric Field Enhancement Factors for Metallic Nanoparticles Using the Discrete Dipole Approximation

PubMed Central

2010-01-01

We model the response of nanoscale Ag prolate spheroids to an external uniform static electric field using simulations based on the discrete dipole approximation, in which the spheroid is represented as a collection of polarizable subunits. We compare the results of simulations that employ subunit polarizabilities derived from the Clausius–Mossotti relation with those of simulations that employ polarizabilities that include a local environmental correction for subunits near the spheroid’s surface [Rahmani et al. Opt Lett 27: 2118 (2002)]. The simulations that employ corrected polarizabilities give predictions in very good agreement with exact results obtained by solving Laplace’s equation. In contrast, simulations that employ uncorrected Clausius–Mossotti polarizabilities substantially underestimate the extent of the electric field “hot spot” near the spheroid’s sharp tip, and give predictions for the field enhancement factor near the tip that are 30 to 50% too small. PMID:20672062

Theoretical evaluation of the radiative lifetimes of LiCs and NaCs in the A1Σ+ state

NASA Astrophysics Data System (ADS)

Mabrouk, N.; Berriche, H.

2017-08-01

Calculations of the adiabatic potential energy curves and the transition dipole moments between the ground (A1Σ+) and the first excited (A1Σ+) states have been determined for the LiCs and NaCs molecules. The calculations are performed using an ab initio approach based on non-empirical pseudopotentials for Cs+, Li+ and Na+ cores, parameterized l-dependent polarization potentials and full configuration interaction calculations. The potential energy curves and the transition dipole moment are used to estimate the radiative lifetimes of the vibrational levels of the A+Σ+ state using the Franck-Condon (FC) approximation and the approximate sum rule method. The radiative lifetimes associated with the A+Σ+ state are presented here for the first time. These data can help experimentalists to optimize photoassociative formation of ultracold molecules and their longevity in a trap or in an optical lattice.

CCSD(T) potential energy and induced dipole surfaces for N2–H2(D2): retrieval of the collision-induced absorption integrated intensities in the regions of the fundamental and first overtone vibrational transitions.

PubMed

Buryak, Ilya; Lokshtanov, Sergei; Vigasin, Andrey

2012-09-21

The present work aims at ab initio characterization of the integrated intensity temperature variation of collision-induced absorption (CIA) in N(2)-H(2)(D(2)). Global fits of potential energy surface (PES) and induced dipole moment surface (IDS) were made on the basis of CCSD(T) (coupled cluster with single and double and perturbative triple excitations) calculations with aug-cc-pV(T,Q)Z basis sets. Basis set superposition error correction and extrapolation to complete basis set (CBS) limit techniques were applied to both energy and dipole moment. Classical second cross virial coefficient calculations accounting for the first quantum correction were employed to prove the quality of the obtained PES. The CIA temperature dependence was found in satisfactory agreement with available experimental data.

Simulations of terahertz pulse emission from thin-film semiconductor structures

NASA Astrophysics Data System (ADS)

Semichaevsky, Andrey

The photo-Dember effect is the formation of transient electric dipoles due to the interaction of semiconductors with ultrashort optical pulses. Typically the optically-induced dipole moments vary on the ns- or ps- scales, leading to the emission of electromagnetic pulses with terahertz (THz) bandwidths. One of the applications of the photo-Dember effect is a photoconductive dipole antenna (PDA). This work presents a computational model of a PDA based on Maxwell's equations coupled to the Boltzmann transport equation. The latter is solved semiclassically for the doped GaAs using a continuum approach. The emphasis is on the accurate prediction of the emitted THz pulse shape and bandwidth, particularly when materials are doped with a rare-earth metal such as erbium or terbium that serve as carrier recombination centers. Field-dependent carrier mobility is determined from particle-based simulations. Some of the previous experimental results are used as a basis for comparison with our model.

Equivalent radiation source of 3D package for electromagnetic characteristics analysis

NASA Astrophysics Data System (ADS)

Li, Jun; Wei, Xingchang; Shu, Yufei

2017-10-01

An equivalent radiation source method is proposed to characterize electromagnetic emission and interference of complex three dimensional integrated circuits (IC) in this paper. The method utilizes amplitude-only near-field scanning data to reconstruct an equivalent magnetic dipole array, and the differential evolution optimization algorithm is proposed to extract the locations, orientation and moments of those dipoles. By importing the equivalent dipoles model into a 3D full-wave simulator together with the victim circuit model, the electromagnetic interference issues in mixed RF/digital systems can be well predicted. A commercial IC is used to validate the accuracy and efficiency of this proposed method. The coupled power at the victim antenna port calculated by the equivalent radiation source is compared with the measured data. Good consistency is obtained which confirms the validity and efficiency of the method. Project supported by the National Nature Science Foundation of China (No. 61274110).

Rydberg Dipole Antennas

NASA Astrophysics Data System (ADS)

Stack, Daniel; Rodenburg, Bradon; Pappas, Stephen; Su, Wangshen; St. John, Marc; Kunz, Paul; Simon, Matt; Gordon, Joshua; Holloway, Christopher

2017-04-01

Measurements of microwave frequency electric fields by traditional methods (i.e. engineered antennas) have limited sensitivity and can be difficult to calibrate properly. A useful tool to address this problem are highly-excited (Rydberg) neutral atoms which have very large electric-dipole moments and many dipole-allowed transitions in the range of 1-500 GHz. Using Rydberg states, it is possible to sensitively probe the electric field in this frequency range using the combination of two quantum interference phenomena: electromagnetically induced transparency and the Autler-Townes effect. This atom-light interaction can be modeled by the classical description of a harmonically bound electron. The classical damped, driven, coupled-oscillators model yields significant insights into the deep connections between classical and quantum physics. We will present a detailed experimental analysis of the noise processes in making such measurements in the laboratory and discuss the prospects for building a practical atomic microwave receiver.

Improving Planck calibration by including frequency-dependent relativistic corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quartin, Miguel; Notari, Alessio, E-mail: mquartin@if.ufrj.br, E-mail: notari@ffn.ub.es

2015-09-01

The Planck satellite detectors are calibrated in the 2015 release using the 'orbital dipole', which is the time-dependent dipole generated by the Doppler effect due to the motion of the satellite around the Sun. Such an effect has also relativistic time-dependent corrections of relative magnitude 10{sup −3}, due to coupling with the 'solar dipole' (the motion of the Sun compared to the CMB rest frame), which are included in the data calibration by the Planck collaboration. We point out that such corrections are subject to a frequency-dependent multiplicative factor. This factor differs from unity especially at the highest frequencies, relevantmore » for the HFI instrument. Since currently Planck calibration errors are dominated by systematics, to the point that polarization data is currently unreliable at large scales, such a correction can in principle be highly relevant for future data releases.« less

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation.

PubMed

List, Nanna Holmgaard; Kauczor, Joanna; Saue, Trond; Jensen, Hans Jørgen Aagaard; Norman, Patrick

2015-06-28

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure of the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.

Experimental evidence for an optical interference model for vibrational sum frequency generation on multilayer organic thin film systems. I. Electric dipole approximation.

PubMed

O'Brien, Daniel B; Massari, Aaron M

2015-01-14

In the field of vibrational sum frequency generation spectroscopy (VSFG) applied to organic thin film systems, a significant challenge to data analysis is in the accurate description of optical interference effects. Herein, we provide experimental evidence that a model recently developed in our lab provides an accurate description of this phenomenon. We studied the organic small molecule N,N'-dioctyl-3,4,9,10-perylenedicarboximide vapor deposited as a thickness gradient on silicon wafer substrates with two oxide thicknesses and two surface preps. VSFG data were obtained using the ssp and the sps polarization combinations in the imide carbonyl stretching region as a function of organic thickness. In this first of two reports, the data are modeled and interpreted within the ubiquitous electric dipole approximation for VSFG. The intrinsic sample responses are parameterized during the fitting routines while optical interference effects are simply calculated from the model using known refractive indices, thin film thicknesses, and beam angles. The results indicate that the thin film model provides a good description of optical interferences, indicating that interfacial terms are significant. Inconsistencies between the fitting results within the bounds of the electric dipole response motivate deliberation for additional effects to be considered in the second report.

Structural and dipolar properties of the voltage-dependent pore former alamethicin in octanol/dioxane.

PubMed Central

Schwarz, G; Savko, P

1982-01-01

Dielectric constant and loss of the membrane-active peptide alamethicin in octanol/dioxane mixtures have been measured at frequencies between 5 kHz and 50 MHz. On the basis of a rotational mechanism of dipolar orientation, the observed dispersion provides information regarding size, shape, and dipole moment of the structural entities which the solute may assume in media of diverse lipophilicity. Particularly detailed results are obtained in a pure octanol solvent where an apparent molecular weight of alamethicin could be determined. It turns out that in this quite lipophilic medium most of the peptide material exists as a monomer particle that has approximate length and diameter of 35 and 13 A, respectively. It carries a dipole moment of approximately 75 Debye units (directed nearly parallel to the long axis). At our concentrations of a few milligrams per milliliters, appreciable formation of dimers by head-to-tail linkage is indicated. When the octanol content is reduced by adding greater amounts of dioxane, larger particles are encountered. This is accompanied by a decrease of the effective polarity. The inherent increase of hydrophilicity in the dioxane-enriched solvent apparently favors another monomer conformation that has a low dipole moment and easily aggregates to some kind of micelle. PMID:7115881

Ab initio calculation of the rotational spectrum of methane vibrational ground state

NASA Astrophysics Data System (ADS)

Cassam-Chenaï, P.; Liévin, J.

2012-05-01

In a previous article we have introduced an alternative perturbation scheme to the traditional one starting from the harmonic oscillator, rigid rotator Hamiltonian, to find approximate solutions of the spectral problem for rotation-vibration molecular Hamiltonians. The convergence of our method for the methane vibrational ground state rotational energy levels was quicker than that of the traditional method, as expected, and our predictions were quantitative. In this second article, we study the convergence of the ab initio calculation of effective dipole moments for methane within the same theoretical frame. The first order of perturbation when applied to the electric dipole moment operator of a spherical top gives the expression used in previous spectroscopic studies. Higher orders of perturbation give corrections corresponding to higher centrifugal distortion contributions and are calculated accurately for the first time. Two potential energy surfaces of the literature have been used for solving the anharmonic vibrational problem by means of the vibrational mean field configuration interaction approach. Two corresponding dipole moment surfaces were calculated in this work at a high level of theory. The predicted intensities agree better with recent experimental values than their empirical fit. This suggests that our ab initio dipole moment surface and effective dipole moment operator are both highly accurate.

Effect of EEG electrode density on dipole localization accuracy using two realistically shaped skull resistivity models.

PubMed

Laarne, P H; Tenhunen-Eskelinen, M L; Hyttinen, J K; Eskola, H J

2000-01-01

The effect of number of EEG electrodes on the dipole localization was studied by comparing the results obtained using the 10-20 and 10-10 electrode systems. Two anatomically detailed models with resistivity values of 177.6 omega m and 67.0 omega m for the skull were applied. Simulated potential values generated by current dipoles were applied to different combinations of the volume conductors and electrode systems. High and low resistivity models differed slightly in favour of the lower skull resistivity model when dipole localization was based on noiseless data. The localization errors were approximately three times larger using low resistivity model for generating the potentials, but applying high resistivity model for the inverse solution. The difference between the two electrode systems was minor in favour of the 10-10 electrode system when simulated, noiseless potentials were used. In the presence of noise the dipole localization algorithm operated more accurately using the denser electrode system. In conclusion, increasing the number of recording electrodes seems to improve the localization accuracy in the presence of noise. The absolute skull resistivity value also affects the accuracy, but using an incorrect value in modelling calculations seems to be the most serious source of error.

Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theory.

PubMed

Simmen, Benjamin; Mátyus, Edit; Reiher, Markus

2014-10-21

This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametrization of the non-relativistic total wave function, which is written as a linear combination of basis functions constructed from explicitly correlated Gaussian functions and the global vector representation. The integrals of the electric transition dipole moment are derived corresponding to these basis functions in both the length and the velocity representation. The calculations are performed in laboratory-fixed Cartesian coordinates without relying on coordinates which separate the center of mass from the translationally invariant degrees of freedom. The effect of the overall motion is eliminated through translationally invariant integral expressions. The electric transition dipole moment is calculated between two rovibronic levels of the H2 molecule assignable to the lowest rovibrational states of the X (1)Σ(g)(+) and B (1)Σ(u)(+) electronic states in the clamped-nuclei framework. This is the first evaluation of this quantity in a full quantum mechanical treatment without relying on the Born-Oppenheimer approximation.

Fabrication of a prototype dipole for the SSC Low Energy Booster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spencer, C.M.

1993-12-01

The Low Energy Booster of the Superconducting Super Collider (SSC) will be a synchrotron containing 96 dipoles operating between 0.13 T and 1.35 T at 10 Hz. Each dipole`s 1.865 m-long core is made from {approximately}2900 steel laminations (lams), each 52 {times} 66 cm and 0.635 mm thick. A need to minimize power supply costs and stringent field specifications led to a straight core with very tight mechanical tolerances of the order of 0.05 mm. To satisfy these tolerances, we decided to stack the core in a vertical position; i.e., with the laminations laid horizontally. We designed and built anmore » unusual vertical stacking fixture that pivots into a horizontal position after all the laminations have been stacked and compressed and four support angles welded onto the laminations. The stacking fixture, our experience using it, and conclusions as to the merits of stacking such a long core vertically will be described. The methods of insulating and potting the pancake coils and their installation into the unsplittable core is also described.« less

Diffusion-mediated dephasing in the dipole field around a single spherical magnetic object.

PubMed

Buschle, Lukas R; Kurz, Felix T; Kampf, Thomas; Triphan, Simon M F; Schlemmer, Heinz-Peter; Ziener, Christian Herbert

2015-11-01

In this work, the time evolution of the free induction decay caused by the local dipole field of a spherical magnetic perturber is analyzed. The complicated treatment of the diffusion process is replaced by the strong-collision-approximation that allows a determination of the free induction decay in dependence of the underlying microscopic tissue parameters such as diffusion coefficient, sphere radius and susceptibility difference. The interplay between susceptibility- and diffusion-mediated effects yields several dephasing regimes of which, so far, only the classical regimes of motional narrowing and static dephasing for dominant and negligible diffusion, respectively, were extensively examined. Due to the asymmetric form of the dipole field for spherical objects, the free induction decay exhibits a complex component in contradiction to the cylindrical case, where the symmetric local dipole field only causes a purely real induction decay. Knowledge of the shape of the corresponding frequency distribution is necessary for the evaluation of more sophisticated pulse sequences and a detailed understanding of the off-resonance distribution allows improved quantification of transverse relaxation. Copyright © 2015 Elsevier Inc. All rights reserved.

Halo-induced large enhancement of soft dipole excitation of 11Li observed via proton inelastic scattering

NASA Astrophysics Data System (ADS)

Tanaka, J.; Kanungo, R.; Alcorta, M.; Aoi, N.; Bidaman, H.; Burbadge, C.; Christian, G.; Cruz, S.; Davids, B.; Diaz Varela, A.; Even, J.; Hackman, G.; Harakeh, M. N.; Henderson, J.; Ishimoto, S.; Kaur, S.; Keefe, M.; Krücken, R.; Leach, K. G.; Lighthall, J.; Padilla Rodal, E.; Randhawa, J. S.; Ruotsalainen, P.; Sanetullaev, A.; Smith, J. K.; Workman, O.; Tanihata, I.

2017-11-01

Proton inelastic scattering off a neutron halo nucleus, 11Li, has been studied in inverse kinematics at the IRIS facility at TRIUMF. The aim was to establish a soft dipole resonance and to obtain its dipole strength. Using a high quality 66 MeV 11Li beam, a strongly populated excited state in 11Li was observed at Ex = 0.80 ± 0.02 MeV with a width of Γ = 1.15 ± 0.06 MeV. A DWBA (distorted-wave Born approximation) analysis of the measured differential cross section with isoscalar macroscopic form factors leads us to conclude that this observed state is excited in an electric dipole (E1) transition. Under the assumption of isoscalar E1 transitions, the strength is evaluated to be extremely large amounting to 30 ∼ 296 Weisskopf units, exhausting 2.2% ∼ 21% of the isoscalar E1 energy-weighted sum rule (EWSR) value. The large observed strength originates from the halo and is consistent with the simple di-neutron model of 11Li halo.

Secondary relaxation dynamics in rigid glass-forming molecular liquids with related structures.

PubMed

Li, Xiangqian; Wang, Meng; Liu, Riping; Ngai, Kia L; Tian, Yongjun; Wang, Li-Min; Capaccioli, Simone

2015-09-14

The dielectric relaxation in three glass-forming molecular liquids, 1-methylindole (1MID), 5H-5-Methyl-6,7-dihydrocyclopentapyrazine (MDCP), and Quinaldine (QN) is studied focusing on the secondary relaxation and its relation to the structural α-relaxation. All three glass-formers are rigid and more or less planar molecules with related chemical structures but have dipoles of different strengths at different locations. A strong and fast secondary relaxation is detected in the dielectric spectra of 1MID, while no resolved β-relaxation is observed in MDCP and QN. If the observed secondary relaxation in 1MID is identified with the Johari-Goldstein (JG) β-relaxation, then apparently the relation between the α- and β-relaxation frequencies of 1MID is not in accord with the Coupling Model (CM). The possibility of the violation of the prediction in 1MID as due to either the formation of hydrogen-bond induced clusters or the involvement of intramolecular degree of freedom is ruled out. The violation is explained by the secondary relaxation originating from the in-plane rotation of the dipole located on the plane of the rigid molecule, contributing to dielectric loss at higher frequencies and more intense than the JG β-relaxation generated by the out-of-plane rotation. MDCP has smaller dipole moment located in the plane of the molecule; however, presence of the change of curvature of dielectric loss, ε″(f), at some frequency on the high-frequency flank of the α-relaxation reveals the JG β-relaxation in MDCP and which is in accord with the CM prediction. QN has as large an in-plane dipole moment as 1MID, and the absence of the resolved secondary relaxation is explained by the smaller coupling parameter than the latter in the framework of the CM.

Sub- and super-luminar propagation of structures satisfying Poynting-like theorem for incompressible generalized hydrodynamic fluid model depicting strongly coupled dusty plasma medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dharodi, Vikram; Das, Amita, E-mail: amita@ipr.res.in; Patel, Bhavesh

2016-01-15

The strongly coupled dusty plasma has often been modelled by the Generalized Hydrodynamic (GHD) model used for representing visco-elastic fluid systems. The incompressible limit of the model which supports transverse shear wave mode is studied in detail. In particular, dipole structures are observed to emit transverse shear waves in both the limits of sub- and super-luminar propagation, where the structures move slower and faster than the phase velocity of the shear waves, respectively. In the sub-luminar limit the dipole gets engulfed within the shear waves emitted by itself, which then backreacts on it and ultimately the identity of the structuremore » is lost. However, in the super-luminar limit the emission appears like a wake from the tail region of the dipole. The dipole, however, keeps propagating forward with little damping but minimal distortion in its form. A Poynting-like conservation law with radiative, convective, and dissipative terms being responsible for the evolution of W, which is similar to “enstrophy” like quantity in normal hydrodynamic fluid systems, has also been constructed for the incompressible GHD equations. The conservation law is shown to be satisfied in all the cases of evolution and collision amidst the nonlinear structures to a great accuracy. It is shown that monopole structures which do not move at all but merely radiate shear waves, the radiative term, and dissipative losses solely contribute to the evolution of W. The dipolar structures, on the other hand, propagate in the medium and hence convection also plays an important role in the evolution of W.« less

Hydrodynamics of Normal Atomic Gases with Spin-orbit Coupling

PubMed Central

Hou, Yan-Hua; Yu, Zhenhua

2015-01-01

Successful realization of spin-orbit coupling in atomic gases by the NIST scheme opens the prospect of studying the effects of spin-orbit coupling on many-body physics in an unprecedentedly controllable way. Here we derive the linearized hydrodynamic equations for the normal atomic gases of the spin-orbit coupling by the NIST scheme with zero detuning. We show that the hydrodynamics of the system crucially depends on the momentum susceptibilities which can be modified by the spin-orbit coupling. We reveal the effects of the spin-orbit coupling on the sound velocities and the dipole mode frequency of the gases by applying our formalism to the ideal Fermi gas. We also discuss the generalization of our results to other situations. PMID:26483090

Hydrodynamics of Normal Atomic Gases with Spin-orbit Coupling.

PubMed

Hou, Yan-Hua; Yu, Zhenhua

2015-10-20

Successful realization of spin-orbit coupling in atomic gases by the NIST scheme opens the prospect of studying the effects of spin-orbit coupling on many-body physics in an unprecedentedly controllable way. Here we derive the linearized hydrodynamic equations for the normal atomic gases of the spin-orbit coupling by the NIST scheme with zero detuning. We show that the hydrodynamics of the system crucially depends on the momentum susceptibilities which can be modified by the spin-orbit coupling. We reveal the effects of the spin-orbit coupling on the sound velocities and the dipole mode frequency of the gases by applying our formalism to the ideal Fermi gas. We also discuss the generalization of our results to other situations.

Inversion of ferrimagnetic magnetization by ferroelectric switching via a novel magnetoelectric coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weng, Yakui; Lin, Lingfang; Dagotto, Elbio

2016-07-12

Although several multiferroic materials or heterostructures have been extensively studied, finding strong magnetoelectric couplings for the electric field control of the magnetization remains challenging. Here, a novel interfacial magnetoelectric coupling based on three components (ferroelectric dipole, magnetic moment, and antiferromagnetic order) is analytically formulated. As an extension of carrier-mediated magnetoelectricity, the new coupling is shown to induce an electric-magnetic hysteresis loop. In addition, realizations employing BiFeO 3 bilayers grown along the [111] axis are proposed. Without involving magnetic phase transitions, the magnetization orientation can be switched by the carrier modulation driven by the field effect, as confirmed using first-principles calculations.

Magnetosphere - Ionosphere - Thermosphere (MIT) Coupling at Jupiter

NASA Astrophysics Data System (ADS)

Yates, J. N.; Ray, L. C.; Achilleos, N.

2017-12-01

Jupiter's upper atmospheric temperature is considerably higher than that predicted by Solar Extreme Ultraviolet (EUV) heating alone. Simulations incorporating magnetosphere-ionosphere coupling effects into general circulation models have, to date, struggled to reproduce the observed atmospheric temperatures under simplifying assumptions such as azimuthal symmetry and a spin-aligned dipole magnetic field. Here we present the development of a full three-dimensional thermosphere model coupled in both hemispheres to an axisymmetric magnetosphere model. This new coupled model is based on the two-dimensional MIT model presented in Yates et al., 2014. This coupled model is a critical step towards to the development of a fully coupled 3D MIT model. We discuss and compare the resulting thermospheric flows, energy balance and MI coupling currents to those presented in previous 2D MIT models.

Orientation-Dependent Exciton-Plasmon Coupling in Embedded Organic/Metal Nanowire Heterostructures.

PubMed

Li, Yong Jun; Hong, Yan; Peng, Qian; Yao, Jiannian; Zhao, Yong Sheng

2017-10-24

The excitation of surface plasmons by optical emitters based on exciton-plasmon coupling is important for plasmonic devices with active optical properties. It has been theoretically demonstrated that the orientation of exciton dipole can significantly influence the coupling strength, yet systematic study of the coupling process in nanostructures is still hindered by the lack of proper material systems. In this work, we have experimentally investigated the orientation-dependent exciton-plasmon coupling in a rationally designed organic/metal nanowire heterostructure system. The heterostructures were prepared by inserting silver nanowires into crystalline organic waveguides during the self-assembly of dye molecules. Structures with different exciton orientations exhibited varying coupling efficiencies. The near-field exciton-plasmon coupling facilitates the design of nanophotonic devices based on the directional surface plasmon polariton propagations.

Silicon quantum processor with robust long-distance qubit couplings.

PubMed

Tosi, Guilherme; Mohiyaddin, Fahd A; Schmitt, Vivien; Tenberg, Stefanie; Rahman, Rajib; Klimeck, Gerhard; Morello, Andrea

2017-09-06

Practical quantum computers require a large network of highly coherent qubits, interconnected in a design robust against errors. Donor spins in silicon provide state-of-the-art coherence and quantum gate fidelities, in a platform adapted from industrial semiconductor processing. Here we present a scalable design for a silicon quantum processor that does not require precise donor placement and leaves ample space for the routing of interconnects and readout devices. We introduce the flip-flop qubit, a combination of the electron-nuclear spin states of a phosphorus donor that can be controlled by microwave electric fields. Two-qubit gates exploit a second-order electric dipole-dipole interaction, allowing selective coupling beyond the nearest-neighbor, at separations of hundreds of nanometers, while microwave resonators can extend the entanglement to macroscopic distances. We predict gate fidelities within fault-tolerance thresholds using realistic noise models. This design provides a realizable blueprint for scalable spin-based quantum computers in silicon.Quantum computers will require a large network of coherent qubits, connected in a noise-resilient way. Tosi et al. present a design for a quantum processor based on electron-nuclear spins in silicon, with electrical control and coupling schemes that simplify qubit fabrication and operation.

SYMBMAT: Symbolic computation of quantum transition matrix elements

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.

2012-08-01

We have developed a set of Mathematica notebooks to compute symbolically quantum transition matrices relevant for atomic ionization processes. The utilization of a symbolic language allows us to obtain analytical expressions for the transition matrix elements required in charged-particle and laser induced ionization of atoms. Additionally, by using a few simple commands, it is possible to export these symbolic expressions to standard programming languages, such as Fortran or C, for the subsequent computation of differential cross sections or other observables. One of the main drawbacks in the calculation of transition matrices is the tedious algebraic work required when initial states other than the simple hydrogenic 1s state need to be considered. Using these notebooks the work is dramatically reduced and it is possible to generate exact expressions for a large set of bound states. We present explicit examples of atomic collisions (in First Born Approximation and Distorted Wave Theory) and laser-matter interactions (within the Dipole and Strong Field Approximations and different gauges) using both hydrogenic wavefunctions and Slater-Type Orbitals with arbitrary nlm quantum numbers as initial states. Catalogue identifier: AEMI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 71 628 No. of bytes in distributed program, including test data, etc.: 444 195 Distribution format: tar.gz Programming language: Mathematica Computer: Single machines using Linux or Windows (with cores with any clock speed, cache memory and bits in a word) Operating system: Any OS that supports Mathematica. The notebooks have been tested under Windows and Linux and with versions 6.x, 7.x and 8.x Classification: 2.6 Nature of problem: The notebooks generate analytical expressions for quantum transition matrix elements required in diverse atomic processes: ionization by ion, electron, or photon impact and ionization within the framework of strong field physics. In charged-particle collisions approaches based on perturbation theory enjoy widespread utilization. Accordingly, we have chosen the First Born Approximation and Distorted Wave theories as examples. In light-matter interactions, the main ingredient for many types of calculations is the dipole transition matrix in its different formulations, i.e. length, velocity, and acceleration gauges. In all these cases the transitions of interest occur between a bound state and a continuum state which can be described in different ways. With the notebooks developed in the present work it is possible to calculate transition matrix elements analytically for any set of quantum numbers nlm of initial hydrogenic states or Slater-Type Orbitals and for plane waves or Coulomb waves as final continuum states. Solution method: The notebooks employ symbolic computation to generate analytical expressions for transition matrix elements used in both collision and light-matter interaction physics. fba_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the First Born Approximation (FBA). The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a plane wave (PW) or a Coulomb wave (CW). distorted_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in Distorted Wave (DW) theories. The transitions considered are from a (distorted) bound hydrogenic state with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the Strong Field Approximation (SFA)) or a CW (the Coulomb-Volkov Approximation (CVA)). dipoleVelocity_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). For the case of the CVA we only include the transition from the 1s state to a continuum state represented by a CW. fba_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the FBA. The transitions considered are from a Slater-Type Orbital (STO) with arbitrary quantum numbers nlm to a continuum state represented by a PW or a CW. distorted_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in DW theories. The transitions considered are from a (distorted) STO with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleVelocity_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). The symbolic expressions obtained within each notebook can be exported to standard programming languages such as Fortran or C using the Format.m package (see the text and Ref. Sofroniou (1993) [16] for details). Running time: Computational times vary according to the transition matrix selected and quantum numbers nlm of the initial state used. The typical running time is several minutes, but it will take longer for large values of nlm.

Assessment of the simulation of Indian Ocean Dipole in the CESM—Impacts of atmospheric physics and model resolution

NASA Astrophysics Data System (ADS)

Yao, Zhixiong; Tang, Youmin; Chen, Dake; Zhou, Lei; Li, Xiaojing; Lian, Tao; Ul Islam, Siraj

2016-12-01

This study examines the possible impacts of coupling processes on simulations of the Indian Ocean Dipole (IOD). Emphasis is placed on the atmospheric model resolution and physics. Five experiments were conducted for this purpose, including one control run of the ocean-only model, four coupled experiments using two different versions of the Community Atmosphere Model (CAM4 and CAM5) and two different resolutions. The results show that the control run could effectively simulate various features of the IOD. The coupled experiments run at the higher resolution yielded more realistic IOD period and intensity than their counterparts at the low resolution. The coupled experiments using CAM5 generally showed a better simulation skill in the tropical Indian SST climatology and phase-locking than those using CAM4, but the wind anomalies were stronger and the IOD period were longer in the former experiments than in the latter. In all coupled experiments, the IOD intensity was much stronger than the observed intensity, which is attributable to wind-thermocline depth feedback and thermocline depth-subsurface temperature feedback. The CAM5 physics seems beneficial for the simulation of summer rainfall over the eastern equatorial Indian Ocean and the CAM4 physics tends to produce less biases over the western equatorial Indian Ocean, whereas the higher resolution tends to generate unrealistically strong meridional winds. The IOD-ENSO relationship was captured reasonably well in coupled experiments, with improvements in CAM5 relative to CAM4. However, the teleconnection of the IOD-Indian summer monsoon and ENSO-Indian summer monsoon was not realistically simulated in all experiments.

Coulomb excitations for a short linear chain of metallic shells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhemchuzhna, Liubov, E-mail: lzhemchuzhna@unm.edu; Center for High Technology Materials, University of New Mexico, Albuquerque, New Mexico 87106; Gumbs, Godfrey

2015-03-15

A self-consistent-field theory is given for the electronic collective modes of a chain containing a finite number, N, of Coulomb-coupled spherical two-dimensional electron gases arranged with their centers along a straight line, for simulating electromagnetic response of a narrow-ribbon of metallic shells. The separation between nearest-neighbor shells is arbitrary and because of the quantization of the electron energy levels due to their confinement to the spherical surface, all angular momenta L of the Coulomb excitations, as well as their projections M on the quantization axis, are coupled. However, for incoming light with a given polarization, only one angular momentum quantummore » number is usually required. Therefore, the electromagnetic response of the narrow-ribbon of metallic shells is expected to be controlled externally by selecting different polarizations for incident light. We show that, when N = 3, the next-nearest-neighbor Coulomb coupling is larger than its value if they are located at opposite ends of a right-angle triangle forming the triad. Additionally, the frequencies of the plasma excitations are found to depend on the orientation of the line joining them with respect to the axis of quantization since the magnetic field generated from the induced oscillating electric dipole moment on one sphere can couple to the induced magnetic dipole moment on another. Although the transverse inter-shell electromagnetic coupling can be modeled by an effective dynamic medium, the longitudinal inter-shell Coulomb coupling, on the other hand, can still significantly modify the electromagnetic property of this effective medium between shells.« less

A simple crunching of the AGS 'bare' machine ORM data - February 2007 - to extract some aspects of AGS transverse coupling at injection and extraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahrens, L.

2010-11-01

The objective of this note is to (once again) explore the AGS 'ORM' (orbit response matrix) data taken (by Operations) early during the 2007 run with an AGS bare machine and gold beam. Indeed the present motivation is to extract as much information about the AGS inherent transverse coupling as possible - from general arguments and the copious ORM data. And taking this one step further, (though not accomplished yet) the goal really should be to tell the model how to describe this coupling. 'Bare' as used here means the AGS with no quadrupole, sextupole or octupole magnets powered. Onlymore » the main (combined-function) magnet string and dipole bumps necessary to optimize beam survival are powered. 'ORM data' means the systematic recording of the equilibrium orbit beam position monitor response to powering individual dipole corrector magnets. The 'matrix' results from looking at the effect of each of the (12 superperiods X 4 dipoles per superperiod) 'kicks' on each of the (12 X 6) pick up electrodes (pues) in each transverse plane. So then we have two (48 X 72) matrices of numbers from the ORM data. (Though 'pue' usually refers to the hardware in the vacuum chamber and 'bpm' to the beam position monitoring system, the two labels will be used casually here.) The exercise is carried out at two magnet rigidities, injection (AGS field {approx}434 Gauss) and extraction to RHIC ({approx}9730 Gauss), - a ratio of rigidities of about 22.4. Since we stick with a bare machine, we are also stuck with the bare tunes which means the tunes are rather close together and near 8.75. Injection: (h,v) {approx} (8.73, 8.76).« less

Effective axial-vector strength and β-decay systematics

NASA Astrophysics Data System (ADS)

Delion, D. S.; Suhonen, J.

2014-09-01

We use the weak axial-vector coupling strength g_{\\text{A}} as a key parameter to reproduce simultaneously the available data for both the Gamow-Teller \\beta^- and \\beta^+/\\text{EC} decay rates in nine triplets of isobars with mass numbers A=70,78,100,104,106,110,116,128,130 . We use the proton-neutron quasiparticle random-phase approximation (pnQRPA) with schematic dipole interaction containing particle-particle and particle-hole parts with mass-dependent strengths. Our analysis points to a strongly quenched effective value g_{\\text{A}}\\approx 0.3 , with a relative error of 28%. We then perform a systematic computation of 218 experimentally known \\beta^- and \\beta^+/\\text{EC} decays with quite a remarkable success. The presently extracted value of g_{\\text{A}} should be taken as an effective one, specific for a given nuclear theory framework. Present studies suggest that the effective g_{\\text{A}} is suitable for the description of decay transitions to 1^+ states at moderate excitation, below the Gamow-Teller giant resonance region.

One-dimensional model of interacting-step fluctuations on vicinal surfaces: Analytical formulas and kinetic Monte-Carlo simulations

NASA Astrophysics Data System (ADS)

Patrone, Paul; Einstein, T. L.; Margetis, Dionisios

2011-03-01

We study a 1+1D, stochastic, Burton-Cabrera-Frank (BCF) model of interacting steps fluctuating on a vicinal crystal. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. Our goal is to formulate and validate a self-consistent mean-field (MF) formalism to approximately solve the system of coupled, nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. We derive formulas for the time-dependent terrace width distribution (TWD) and its steady-state limit. By comparison with kinetic Monte-Carlo simulations, we show that our MF formalism improves upon models in which step interactions are linearized. We also indicate how fitting parameters of our steady state MF TWD may be used to determine the mass transport regime and step interaction energy of certain experimental systems. PP and TLE supported by NSF MRSEC under Grant DMR 05-20471 at U. of Maryland; DM supported by NSF under Grant DMS 08-47587.

Multipole plasmons in graphene nanoellipses

NASA Astrophysics Data System (ADS)

Wang, Weihua; Song, Zhengyong

2018-02-01

We study multipole plasmons in graphene nanoellipses under the quasi-static approximation. The graphene is characterized by a homogeneous surface conductivity, and two coupled differential and integral equations are solved self-consistently to investigate the plasmonic modes in nanoellipses with a fixed area. With respect to the major axis, the symmetric and antisymmetric modes originally doubly degenerate in nanodisks will show different behavior as the semi-major axis increases. The eigen frequencies of the symmetric modes decrease, while those of the antisymmetric modes increase. At the edges, the phase changes of the symmetric dipole modes are linear and independent on structural changes; the phase changes of antisymmetric modes deviate from linear relationship, and the deviation depends on the semi-major axis. As a very large aspect ratio, they exhibit sharp peaks at the endpoints of the minor axis and zero phase changes at the endpoints of the major axis. The non-degenerate breathing mode shows its hot spots at the endpoints of the minor axis, and its eigen frequency gradually increases as the semi-major axis increases.

Dark state with counter-rotating dissipative channels.

PubMed

Zhou, Zheng-Yang; Chen, Mi; Wu, Lian-Ao; Yu, Ting; You, J Q

2017-07-24

Dark state as a consequence of interference between different quantum states has great importance in the fields of chip-scale atomic clock and quantum information. For the Λ-type three-level system, this dark state is generally regarded as being dissipation-free because it is a superposition of two lowest states without dipole transition between them. However, previous studies are based on the rotating-wave approximation (RWA) by neglecting the counter-rotating terms in the system-environment interaction. In this work, we study non-Markovian quantum dynamics of the dark state in a Λ-type three-level system coupled to two bosonic baths and reveal the effect of counter-rotating terms on the dark state. In contrast to the dark state within the RWA, leakage of the dark state occurs even at zero temperature, as a result of these counter-rotating terms. Also, we present a method to restore the quantum coherence of the dark state by applying a leakage elimination operator to the system.

Design of UV laser pulses for the preparation of matrix isolated homonuclear diatomic molecules in selective vibrational superposition states.

PubMed

Korolkov, M V; Manz, J

2007-05-07

The preparation of matrix isolated homonuclear diatomic molecules in a vibrational superposition state c0Phie=1,v=0+cjPhie=1,v=j, with large (|c0|2 approximately 1) plus small contributions (|cj|2<1) of the ground v=0 and specific v=j low excited vibrational eigenstates, respectively, in the electronic ground (e=1) state, and without any net population transfer to electronic excited (e>1) states, is an important challenge; it serves as a prerequisite for coherent spin control. For this purpose, the authors investigate two scenarios of laser pulse control, involving sequential or intrapulse pump- and dump-type transitions via excited vibronic states Phiex,k with a dominant singlet or triplet character. The mechanisms are demonstrated by means of quantum simulations for representative nuclear wave packets on coupled potential energy surfaces, using as an example a one-dimensional model for Cl2 in an Ar matrix. A simple three-state model (including Phi1,0, Phi1,j and Phiex,k) allows illuminating analyses and efficient determinations of the parameters of the laser pulses based on the values of the transition energies and dipole couplings of the transient state which are derived from the absorption spectra.

A multimode vibronic treatment of absorption, resonance Raman, and hyper-Rayleigh scattering of excitonically coupled molecular dimers

NASA Astrophysics Data System (ADS)

Myers Kelley, Anne

2003-08-01

The linear absorption spectra, resonance Raman excitation profiles and depolarization dispersion curves, and hyper-Rayleigh scattering profiles are calculated for excitonically coupled homodimers of a model electron donor-acceptor "push-pull" conjugated chromophore as a function of dimer geometry. The vibronic eigenstates of the dimer are calculated by diagonalizing the matrix of transition dipole couplings among the vibronic transitions of the constituent monomers. The absorption spectra show the usual red- or blueshifted transitions for J-type or H-type dimers, respectively. When the electronic coupling is large compared with the vibronic width of the monomer spectrum, the dimer absorption spectra exhibit simple Franck-Condon progressions having reduced vibronic intensities compared with the monomer, and the resonance Raman excitation profiles are shifted but otherwise only weakly perturbed. When the coupling is comparable to the vibronic width, the H-dimer absorption spectra exhibit irregular vibronic frequency spacings and intensity patterns and the effects on the Raman excitation profiles are larger. There is strong dispersion in the Raman depolarization ratios for dimer geometries in which both transitions carry oscillator strength. The first hyperpolarizabilities are somewhat enhanced in J-dimers and considerably reduced in H-dimers. These effects on the molecular β will amplify the effects of dimerization on the ground-state dipole moment in electro-optic materials formed from chromophore-doped polymers that must be electric field poled to obtain the net alignment needed for a macroscopic χ(2).

Accurate, precise, and efficient theoretical methods to calculate anion-π interaction energies in model structures.

PubMed

Mezei, Pál D; Csonka, Gábor I; Ruzsinszky, Adrienn; Sun, Jianwei

2015-01-13

A correct description of the anion-π interaction is essential for the design of selective anion receptors and channels and important for advances in the field of supramolecular chemistry. However, it is challenging to do accurate, precise, and efficient calculations of this interaction, which are lacking in the literature. In this article, by testing sets of 20 binary anion-π complexes of fluoride, chloride, bromide, nitrate, or carbonate ions with hexafluorobenzene, 1,3,5-trifluorobenzene, 2,4,6-trifluoro-1,3,5-triazine, or 1,3,5-triazine and 30 ternary π-anion-π' sandwich complexes composed from the same monomers, we suggest domain-based local-pair natural orbital coupled cluster energies extrapolated to the complete basis-set limit as reference values. We give a detailed explanation of the origin of anion-π interactions, using the permanent quadrupole moments, static dipole polarizabilities, and electrostatic potential maps. We use symmetry-adapted perturbation theory (SAPT) to calculate the components of the anion-π interaction energies. We examine the performance of the direct random phase approximation (dRPA), the second-order screened exchange (SOSEX), local-pair natural-orbital (LPNO) coupled electron pair approximation (CEPA), and several dispersion-corrected density functionals (including generalized gradient approximation (GGA), meta-GGA, and double hybrid density functional). The LPNO-CEPA/1 results show the best agreement with the reference results. The dRPA method is only slightly less accurate and precise than the LPNO-CEPA/1, but it is considerably more efficient (6-17 times faster) for the binary complexes studied in this paper. For 30 ternary π-anion-π' sandwich complexes, we give dRPA interaction energies as reference values. The double hybrid functionals are much more efficient but less accurate and precise than dRPA. The dispersion-corrected double hybrid PWPB95-D3(BJ) and B2PLYP-D3(BJ) functionals perform better than the GGA and meta-GGA functionals for the present test set.

Chiral separation and twin-beam photonics

NASA Astrophysics Data System (ADS)

Bradshaw, David S.; Andrews, David L.

2016-03-01

It is well-known that, in a homogeneous fluid medium, most optical means that afford discrimination between molecules of opposite handedness are intrinsically weak effects. The reason is simple: the wide variety of origins for differential response commonly feature real or virtual electronic transitions that break a parity condition. Despite being electric dipole allowed, they manifest the chirality of the material in which they occur by breaking a selection rule that would otherwise preclude the simultaneous involvement of magnetic dipole or electric quadrupole forms of coupling. Although the latter are typically weaker than electric dipole effects by several orders of magnitude, it is the involvement of these weak forms of interaction that are responsible for chiral sensitivity. There have been a number of attempts to cleverly exploit novel optical configurations to enhance the relative magnitude - and hence potentially the efficiency - of chiral discrimination. The prospect of success in any such venture is enticing, because of the huge impact that such an advance might be expected to have in the health, food and medical sectors. Some of these proposals have utilized mirror reflection, and others surface plasmon coupling, or optical binding methods. Several recent works in the literature have drawn attention to a further possibility: the deployment of optical beam interference as a means to achieve chiral separations of sizeable extent. In this paper the underlying theory is fully developed to identify the true scope and limitations of such an approach.

Reverberation effects on directionality and response of stationary monopole and dipole sources in a wind tunnel

NASA Technical Reports Server (NTRS)

Baumeister, K. J.

1985-01-01

Analytical solutions for the three dimensional inhomogeneous wave equation with flow in a hardwall rectangular wind tunnel and in the free field are presented for a stationary monopole noise source. Dipole noise sources are calculated by combining two monopoles 180 deg out of phase. Numerical calculations for the modal content, spectral response and directivity for both monopole and dipole sources are presented. In addition, the effect of tunnel alterations, such as the addition of a mounting plate, on the tunnels reverberant response are considered. In the frequency range of practical importance for the turboprop response, important features of the free field directivity can be approximated in a hardwall wind tunnel with flow if the major lobe of the noise source is not directed upstream. However, for an omnidirectional source, such as a monopole, the hardwall wind tunnel and free field response are not comparable.

Testing the anisotropy of cosmic acceleration from Pantheon supernovae sample

NASA Astrophysics Data System (ADS)

Sun, Z. Q.; Wang, F. Y.

2018-05-01

In this paper, we study the anisotropy of cosmic acceleration the using Pantheon sample, which includes 1049 spectroscopically confirmed type Ia supernovae (SNe Ia) covering the redshift range 0.01 < z < 2.3. In hemisphere comparison method, we find the dipole direction is (l = 110 ± 11°, b = 15 ± 19°) with the maximum anisotropy level of δ =0.105 {}^{+0.002}_{-0.005}. From the dipole fitting method, we find that the magnitude of anisotropy is A = (2.6 ± 2.6) × 10-4, and the direction of the dipole (l = 108.2°+43.0°-76.9°, b = 7.1°+41.2°-77.5°) in the galactic coordinate system. The result is weakly dependent on redshift from the redshift tomography analysis. The anisotropy is small and the isotropic cosmological model is an excellent approximation.

Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

NASA Astrophysics Data System (ADS)

Kosobukin, V. A.; Korotchenkov, A. V.

2016-12-01

A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.

Medium-induced change of the optical response of metal clusters in rare-gas matrices

NASA Astrophysics Data System (ADS)

Xuan, Fengyuan; Guet, Claude

2017-10-01

Interaction with the surrounding medium modifies the optical response of embedded metal clusters. For clusters from about ten to a few hundreds of silver atoms, embedded in rare-gas matrices, we study the environment effect within the matrix random phase approximation with exact exchange (RPAE) quantum approach, which has proved successful for free silver clusters. The polarizable surrounding medium screens the residual two-body RPAE interaction, adds a polarization term to the one-body potential, and shifts the vacuum energy of the active delocalized valence electrons. Within this model, we calculate the dipole oscillator strength distribution for Ag clusters embedded in helium droplets, neon, argon, krypton, and xenon matrices. The main contribution to the dipole surface plasmon red shift originates from the rare-gas polarization screening of the two-body interaction. The large size limit of the dipole surface plasmon agrees well with the classical prediction.

Demonstration of current drive by a rotating magnetic dipole field

NASA Astrophysics Data System (ADS)

Giersch, L.; Slough, J. T.; Winglee, R.

2007-04-01

Abstract.A dipole-like rotating magnetic field was produced by a pair of circular, orthogonal coils inside a metal vacuum chamber. When these coils were immersed in plasma, large currents were driven outside the coils: the currents in the plasma were generated and sustained by the rotating magnetic dipole (RMD) field. The peak RMD-driven current was at roughly two RMD coil radii, and this current (60 kA m-) was sufficient to reverse the ambient magnetic field (33 G). Plasma density, electron temperature, magnetic field and current probes indicated that plasma formed inside the coils, then expanded outward until the plasma reached equilibrium. This equilibrium configuration was adequately described by single-fluid magnetohydrodynamic equilibrium, wherein the cross product of the driven current and magnetic filed was approximately equal to the pressure gradient. The ratio of plasma pressure to magnetic field pressure, β, was locally greater than unity.

Isospin Character of Low-Lying Pygmy Dipole States in Pb208 via Inelastic Scattering of O17 Ions

NASA Astrophysics Data System (ADS)

Crespi, F. C. L.; Bracco, A.; Nicolini, R.; Mengoni, D.; Pellegri, L.; Lanza, E. G.; Leoni, S.; Maj, A.; Kmiecik, M.; Avigo, R.; Benzoni, G.; Blasi, N.; Boiano, C.; Bottoni, S.; Brambilla, S.; Camera, F.; Ceruti, S.; Giaz, A.; Million, B.; Morales, A. I.; Vandone, V.; Wieland, O.; Bednarczyk, P.; Ciemała, M.; Grebosz, J.; Krzysiek, M.; Mazurek, K.; Zieblinski, M.; Bazzacco, D.; Bellato, M.; Birkenbach, B.; Bortolato, D.; Calore, E.; Cederwall, B.; Charles, L.; de Angelis, G.; Désesquelles, P.; Eberth, J.; Farnea, E.; Gadea, A.; Görgen, A.; Gottardo, A.; Isocrate, R.; Jolie, J.; Jungclaus, A.; Karkour, N.; Korten, W.; Menegazzo, R.; Michelagnoli, C.; Molini, P.; Napoli, D. R.; Pullia, A.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Siebeck, B.; Siem, S.; Simpson, J.; Söderström, P.-A.; Stezowski, O.; Theisen, Ch.; Ur, C.; Valiente-Dobón, J. J.

2014-07-01

The properties of pygmy dipole states in Pb208 were investigated using the Pb208(O17, O17'γ) reaction at 340 MeV and measuring the γ decay with high resolution with the AGATA demonstrator array. Cross sections and angular distributions of the emitted γ rays and of the scattered particles were measured. The results are compared with (γ, γ') and (p, p') data. The data analysis with the distorted wave Born approximation approach gives a good description of the elastic scattering and of the inelastic excitation of the 2+ and 3- states. For the dipole transitions a form factor obtained by folding a microscopically calculated transition density was used for the first time. This has allowed us to extract the isoscalar component of the 1- excited states from 4 to 8 MeV.

The influence of train leakage currents on the LEP dipole field

NASA Astrophysics Data System (ADS)

Bravin, E.; Brun, G.; Dehning, B.; Drees, A.; Galbraith, P.; Geitz, M.; Henrichsen, K.; Koratzinos, M.; Mugnai, G.; Tonutti, M.

The determination of the mass and the width of the Z boson at CERN's LEP accelerator, an e+e- storage ring with a circumference of approximately 27 km, imposes heavy demands on the knowledge of the LEP counter-rotating electron and positron beam energies. The precision required is of the order of 1 MeV or ≈ 20 ppm. Due to its size, the LEP collider is influenced by various macroscopic and regional factors such as the position of the moon or seasonal changes of the rainfall in the area, as reported earlier. A new and not less surprising effect on the LEP energy was observed in 1995: railroad trains in the Geneva region perturb the dipole field. A parasitic flow of electricity, originating from the trains, travels along the LEP vacuum chamber, affecting the LEP dipole field. An account of the phenomenon with its explanation substantiated by dedicated measurements is presented.

Effect of homogeneous-heterogeneous reactions on ferrofluid in the presence of magnetic dipole along a stretching cylinder

NASA Astrophysics Data System (ADS)

Nadeem, Sohail; Ullah, Naeem; Khan, Arif Ullah; Akbar, Tanvir

This article characterizes the influence of magnetic dipole in a non-Newtonian ferrofluid. The flow is caused by an incompressible stretchable cylinder. The effects of homogeneous and heterogeneous reactions are taken into account. Heat flux is evaluated by the Fourier's law of heat conduction. Characteristics of pertinent parameters on magneto-thermomechanical coupling and chemical reactions are explored numerically. It is depicted that the magneto-thermomechanical interaction slows down the motion of fluid particles, thereby increases skin friction and decreasing rate of heat transfer at the surface of a cylinder. Comparison with available results for some cases is found good agreements.

Towards a feasible implementation of quantum neural networks using quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altaisky, Mikhail V., E-mail: altaisky@mx.iki.rssi.ru, E-mail: nzolnik@iki.rssi.ru; Zolnikova, Nadezhda N., E-mail: altaisky@mx.iki.rssi.ru, E-mail: nzolnik@iki.rssi.ru; Kaputkina, Natalia E., E-mail: nataly@misis.ru

2016-03-07

We propose an implementation of quantum neural networks using an array of quantum dots with dipole-dipole interactions. We demonstrate that this implementation is both feasible and versatile by studying it within the framework of GaAs based quantum dot qubits coupled to a reservoir of acoustic phonons. Using numerically exact Feynman integral calculations, we have found that the quantum coherence in our neural networks survive for over a hundred ps even at liquid nitrogen temperatures (77 K), which is three orders of magnitude higher than current implementations, which are based on SQUID-based systems operating at temperatures in the mK range.

One-dimensional model of interacting-step fluctuations on vicinal surfaces: Analytical formulas and kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Patrone, Paul N.; Einstein, T. L.; Margetis, Dionisios

2010-12-01

We study analytically and numerically a one-dimensional model of interacting line defects (steps) fluctuating on a vicinal crystal. Our goal is to formulate and validate analytical techniques for approximately solving systems of coupled nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. In our analytical approach, the starting point is the Burton-Cabrera-Frank (BCF) model by which step motion is driven by diffusion of adsorbed atoms on terraces and atom attachment-detachment at steps. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. By including Gaussian white noise to the equations of motion for terrace widths, we formulate large systems of SDEs under different choices of diffusion coefficients for the noise. We simplify this description via (i) perturbation theory and linearization of the step interactions and, alternatively, (ii) a mean-field (MF) approximation whereby widths of adjacent terraces are replaced by a self-consistent field but nonlinearities in step interactions are retained. We derive simplified formulas for the time-dependent terrace-width distribution (TWD) and its steady-state limit. Our MF analytical predictions for the TWD compare favorably with kinetic Monte Carlo simulations under the addition of a suitably conservative white noise in the BCF equations.

Current induced incoherent magnetization dynamics in ferromagnetic/non-magnetic metallic multilayer nanowires

NASA Astrophysics Data System (ADS)

Al-Rashid, Md Mamun; Maqableh, Mazin; Stadler, Bethanie; Atulasimha, Jayasimha

High density arrays of electrodeposited nanowires consisting of ferromagnetic/non-magnetic (Co/Cu) multilayers are promising as magnetic memory devices. For individual nanowires containing multiple (Co/Cu) bilayers, the stable magnetization orientations of the Co layers (with respect to each other and the nanowire axis) are dependent on the Cu layer thickness, even when the Co layer dimensions are fixed. This dependence is a result of the competition between shape anisotropy, magneto-crystalline anisotropy and intra-wire dipole coupling. However, when the nanowires are closely packed in arrays, inter-wire dipole coupling can result in complex and tunable domain structures comprising segments of multiple nanowires. This work explores the dependence of these domain structures and their switching on the non-magnetic layer thickness and intra-wire spacing both experimentally and via rigorous micromagnetic simulation. These domain structures play a crucial role in determining the current and time required for STT switching. NSF CAREER Grant CCF-1253370.

Broadband electromagnetic dipole scattering by coupled multiple nanospheres

NASA Astrophysics Data System (ADS)

Jing, Xufeng; Ye, Qiufeng; Hong, Zhi; Zhu, Dongshuo; Shi, Guohua

2017-11-01

With the development of nanotechnology, the ability to manipulate light at the nanoscale is critical to future optical functional devices. The use of high refractive index dielectric single silicon nanoparticle can achieve electromagnetic dipole resonant properties. Compared with single nanosphere, the use of dimer and trimer introduces an additional dimension (gap size) for improving the performance of dielectric optical devices through the coupling between closely connected silicon nanospheres. When changing the gap size between the nanospheres, the interaction between the particles can be from weak to strong. Compared with single nanospheres, dimerized or trimeric nanospheres exhibit more pronounced broadband scattering properties. In addition, by introducing more complex interaction, the trimericed silicon nanospheres exhibit a more significant increase in bandwidth than expected. In addition, the presence of the substrate will also contribute to the increase in the bandwidth of the nanospheres. The broadband response in dielectric nanostructures can be effectively applied to broadband applications such as dielectric nanoantennas or solar cells.

Energy transfer and correlations in cavity-embedded donor-acceptor configurations.

PubMed

Reitz, Michael; Mineo, Francesca; Genes, Claudiu

2018-06-13

The rate of energy transfer in donor-acceptor systems can be manipulated via the common interaction with the confined electromagnetic modes of a micro-cavity. We analyze the competition between the near-field short range dipole-dipole energy exchange processes and the cavity mediated long-range interactions in a simplified model consisting of effective two-level quantum emitters that could be relevant for molecules in experiments under cryogenic conditions. We find that free-space collective incoherent interactions, typically associated with sub- and superradiance, can modify the traditional resonant energy transfer scaling with distance. The same holds true for cavity-mediated collective incoherent interactions in a weak-coupling but strong-cooperativity regime. In the strong coupling regime, we elucidate the effect of pumping into cavity polaritons and analytically identify an optimal energy flow regime characterized by equal donor/acceptor Hopfield coefficients in the middle polariton. Finally we quantify the build-up of quantum correlations in the donor-acceptor system via the two-qubit concurrence as a measure of entanglement.

Defect dynamics and coarsening dynamics in smectic-C films

NASA Astrophysics Data System (ADS)

Pargellis, A. N.; Finn, P.; Goodby, J. W.; Panizza, P.; Yurke, B.; Cladis, P. E.

1992-12-01

We study the dynamics of defects generated in free-standing films of liquid crystals following a thermal quench from the smectic-A phase to the smectic-C phase. The defects are type-1 disclinations, and the strain field between defect pairs is confined to 2π walls. We compare our observations with a phenomenological model that includes dipole coupling of the director field to an external ordering field. This model is able to account for both the observed coalescence dynamics and the observed ordering dynamics. In the absence of an ordering field, our model predicts the defect density ρ to scale with time t as ρ lnρ~t-1. When the dipole coupling of the director field to an external ordering field is included, both the model and experiments show the defect coarsening proceeds as ρ~e-αt with the strain field confined to 2π walls. The external ordering field most likely arises from the director's tendency to align with edge dislocations within the liquid-crystal film.

Rayleigh scattering in an emitter-nanofiber-coupling system

NASA Astrophysics Data System (ADS)

Tang, Shui-Jing; Gao, Fei; Xu, Da; Li, Yan; Gong, Qihuang; Xiao, Yun-Feng

2017-04-01

Scattering is a general process in both fundamental and applied physics. In this paper, we investigate Rayleigh scattering of a solid-state-emitter coupled to a nanofiber, by S -matrix-like theory in k -space description. Under this model, both Rayleigh scattering and dipole interaction are studied between a two-level artificial atom embedded in a nanocrystal and fiber modes (guided and radiation modes). It is found that Rayleigh scattering plays a critical role in the transport properties and quantum statistics of photons. On the one hand, Rayleigh scattering produces the transparency in the optical transmitted field of the nanofiber, accompanied by the change of atomic phase, population, and frequency shift. On the other hand, the interference between two kinds of scattering fields by Rayleigh scattering and dipole transition modifies the photon statistics (second-order autocorrelation function) of output fields, showing a strong wavelength dependence. This study provides guidance for the solid-state emitter acting as a single-photon source and can be extended to explore the scattering effect in many-body physics.

Aromatic Polythiourea Dielectrics with High Energy Density, High Breakdown Strength, and Low Dielectric Loss

NASA Astrophysics Data System (ADS)

Wu, Shan; Burlingame, Quinn; Lin, Minren; Zhang, Qiming

2013-03-01

There is an increasing demand on dielectric materials with high electric energy density and low loss for a broad range of applications in modern electronics and electrical power systems such as hybrid electric vehicles (HEV), medical defibrillators, filters, and switched-mode power supplies. One major challenge in developing dielectric polymers is how to achieve high energy density Ue while maintaining low dielectric loss, even at very high-applied electric fields. Here we show that amorphous polar-polymers with very low impurity concentration can be promising for realizing such a dielectric polymer. Polar-polymer with high dipole moment and weak dipole coupling can provide relatively high dielectric constant for high Ue, eliminate polarization and conduction losses due to weak dipolar coupling and strong polar-scattering to charge carriers. Indeed, an aromatic polythiourea thin film can maintain low loss to high fields (>1 GV/m) with a high Ue (~ 24 J/cm3) , which is very attractive for energy storage capacitors.

An ϵ' improvement from right-handed currents

DOE PAGES

Cirigliano, Vincenzo; Dekens, Wouter Gerard; de Vries, Jordy; ...

2017-01-23

Recent lattice QCD calculations of direct CP violation in K L → ππ decays indicate tension with the experimental results. Assuming this tension to be real, we investigate a possible beyond-the-Standard Model explanation via right-handed charged currents. By using chiral perturbation theory in combination with lattice QCD results, we accurately calculate the modification of ϵ'/ϵ induced by right-handed charged currents and extract values of the couplings that are necessary to explain the discrepancy, pointing to a scale around 10–100 TeV. We find that couplings of this size are not in conflict with constraints from other precision experiments, but next-generation hadronicmore » electric dipole moment searches (such as neutron and 225Ra) can falsify this scenario. As a result, we work out in detail a direct link, based on chiral perturbation theory, between CP violation in the kaon sector and electric dipole moments induced by right-handed currents which can be used in future analyses of left-right symmetric models.« less

Cancellations Between Two-Loop Contributions to the Electron Electric Dipole Moment with a CP-Violating Higgs Sector.

PubMed

Bian, Ligong; Liu, Tao; Shu, Jing

2015-07-10

We present a class of cancellation conditions for suppressing the total contributions of Barr-Zee diagrams to the electron electric dipole moment (eEDM). Such a cancellation is of particular significance after the new eEDM upper limit was released by the ACME Collaboration, which strongly constrains the allowed magnitude of CP violation in Higgs couplings and hence the feasibility of electroweak baryogenesis (EWBG). Explicitly, if both the CP-odd Higgs-photon-photon (Z boson) and the CP-odd Higgs-electron-positron couplings are turned on, a cancellation may occur either between the contributions of a CP-mixing Higgs boson, with the other Higgs bosons being decoupled, or between the contributions of CP-even and CP-odd Higgs bosons. With a cancellation, large CP violation in the Higgs sector is still allowed, yielding successful EWBG. The reopened parameter regions would be probed by future neutron, mercury EDM measurements, and direct measurements of Higgs CP properties at the Large Hadron Collider Run II and future colliders.

Silicon quantum processor with robust long-distance qubit couplings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tosi, Guilherme; Mohiyaddin, Fahd A.; Schmitt, Vivien

Practical quantum computers require a large network of highly coherent qubits, interconnected in a design robust against errors. Donor spins in silicon provide state-of-the-art coherence and quantum gate fidelities, in a platform adapted from industrial semiconductor processing. Here we present a scalable design for a silicon quantum processor that does not require precise donor placement and leaves ample space for the routing of interconnects and readout devices. We introduce the flip-flop qubit, a combination of the electron-nuclear spin states of a phosphorus donor that can be controlled by microwave electric fields. Two-qubit gates exploit a second-order electric dipole-dipole interaction, allowingmore » selective coupling beyond the nearest-neighbor, at separations of hundreds of nanometers, while microwave resonators can extend the entanglement to macroscopic distances. We predict gate fidelities within fault-tolerance thresholds using realistic noise models. This design provides a realizable blueprint for scalable spin-based quantum computers in silicon.« less

Hybrid fluid-particle simulation of whistler-mode waves in a compressed dipole magnetic field: Implications for dayside high-latitude chorus

NASA Astrophysics Data System (ADS)

da Silva, C. L.; Wu, S.; Denton, R. E.; Hudson, M. K.; Millan, R. M.

2017-01-01

In this work we present a methodology for simulating whistler-mode waves self-consistently generated by electron temperature anisotropy in the inner magnetosphere. We present simulation results using a hybrid fluid/particle-in-cell code that treats the hot, anisotropic (i.e., ring current) electron population as particles and the background (i.e., the cold and inertialess) electrons as fluid. Since the hot electrons are only a small fraction of the total population, warm (and isotropic) particle electrons are added to the simulation to increase the fraction of particles with mass, providing a more accurate characterization of the wave dispersion relation. Ions are treated as a fixed background of positive charge density. The plasma transport equations are coupled to Maxwell's equations and solved in a meridional plane (a 2-D simulation with 3-D fields). We use a curvilinear coordinate system that follows the topological curvature of Earth's geomagnetic field lines, based on an analytic expression for a compressed dipole magnetic field. Hence, we are able to simulate whistler wave generation at dawn (pure dipole field lines) and dayside (compressed dipole) by simply adjusting one scalar quantity. We demonstrate how, on the dayside, whistler-mode waves can be locally generated at a range of high latitudes, within pockets of minimum magnetic field, and propagate equatorward. The obtained dayside waves (in a compressed dipole field) have similar amplitude and frequency content to their dawn sector counterparts (in a pure dipole field) but tend to propagate more field aligned.

Direct evidence of three-body interactions in a cold {sup 85}Rb Rydberg gas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han Jianing

2010-11-15

Cold Rydberg atoms trapped in a magneto-optical trap (MOT) are not isolated and they interact through dipole-dipole and multipole-multipole interactions. First-order dipole-dipole interactions and van der Waals interactions between two atoms have been intensively studied. However, the facts that the first-order dipole-dipole interactions and van der Waals interactions show the same size of broadening [A. Reinhard, K. C. Younge, T. C. Liebisch, B. Knuffman, P. R. Berman, and G. Raithel, Phys. Rev. Lett. 100, 233201 (2008)] and there are transitions between two dimer states [S. M. Farooqi, D. Tong, S. Krishnan, J. Stanojevic, Y. P. Zhang, J. R. Ensher, A.more » S. Estrin, C. Boisseau, R. Cote, E. E. Eyler, and P. L. Gould, Phys. Rev. Lett. 91, 183002 (2003); K. R. Overstreet, Arne Schwettmann, Jonathan Tallant, and James P. Shaffer, Phys. Rev. A 76, 011403(R) (2007)] cannot be explained by the two-atom picture. The purpose of this article is to show the few-body nature of a dense cold Rydberg gas by studying the molecular-state microwave spectra. Specifically, three-body energy levels have been calculated. Moreover, the transition from three-body energy levels to two-body coupled molecular energy levels and to isolated atomic energy levels as a function of the internuclear spacing is studied. Finally, single-body, two-body, and three-body interaction regions are estimated according to the experimental data. The results reported here provides useful information for plasma formation, further cooling, and superfluid formation.« less

Isovector and isoscalar dipole excitations in 9Be and 10Be studied with antisymmetrized molecular dynamics

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2016-02-01

Isovector and isoscalar dipole excitations in 9Be and 10Be are investigated in the framework of antisymmetrized molecular dynamics, in which angular-momentum and parity projections are performed. In the present method, 1p-1h excitation modes built on the ground state and a large amplitude α -cluster mode are taken into account. The isovector giant dipole resonance (GDR) in E >20 MeV shows the two-peak structure, which is understood from the dipole excitation in the 2 α core part with the prolate deformation. Because of valence neutron modes against the 2 α core, low-energy E 1 resonances appear in E <20 MeV, exhausting about 20 % of the Thomas-Reiche-Kuhn sum rule and 10 % of the calculated energy-weighted sum. The dipole resonance at E ˜15 MeV in 10Be can be interpreted as the parity partner of the ground state having a 6He+α structure and has remarkable E 1 strength because of the coherent contribution of two valence neutrons. The isoscalar dipole strength for some low-energy resonances is significantly enhanced by the coupling with the α -cluster mode. For the E 1 strength of 9Be, the calculation overestimates the energy-weighted sum (EWS) in the low-energy (E <20 MeV) and GDR (20

Forward modeling to investigate inversion artifacts resulting from time-lapse electrical resistivity tomography during rainfall simulations

NASA Astrophysics Data System (ADS)

Carey, Austin M.; Paige, Ginger B.; Carr, Bradley J.; Dogan, Mine

2017-10-01

Time-lapse electrical resistivity tomography (ERT) is commonly used as a minimally invasive tool to study infiltration processes. In 2014, we conducted field studies coupling variable intensity rainfall simulation with high-resolution ERT to study the real-time partitioning of rainfall into surface and subsurface response. The significant contrast in resistivity in the subsurface from large changes in subsurface moisture resulted in artifacts during the inversion process of the time-lapse ERT data collected using a dipole-dipole electrode array. These artifacts, which are not representative of real subsurface moisture dynamics, have been shown to arise during time-lapse inversion of ERT data and may be subject to misinterpretation. Forward modeling of the infiltration process post field experiments using a two-layer system (saprolite overlain by a soil layer) was used to generate synthetic datasets. The synthetic data were used to investigate the influence of both changes in volumetric moisture content and electrode configuration on the development of the artifacts identified in the field datasets. For the dipole-dipole array, we found that a decrease in the resistivity of the bottom layer by 67% resulted in a 50% reduction in artifact development. Artifacts for the seven additional array configurations tested, ranged from a 19% increase in artifact development (using an extended dipole-dipole array) to as much as a 96% decrease in artifact development (using a wenner-alpha array), compared to that of the dipole-dipole array. Moreover, these arrays varied in their ability to accurately delineate the infiltration front. Model results showed that the modified pole-dipole array was able to accurately image the infiltration zone and presented fewer artifacts for our experiments. In this study, we identify an optimal array type for imaging rainfall-infiltration dynamics that reduces artifacts. The influence of moisture contrast between the infiltrating water and the bulk subsurface material was characterized and shown to be a major factor in contributing to artifact development. Through forward modeling, this study highlights the importance of considering array type and subsurface moisture conditions when using time-lapse resistivity to obtain reliable estimates of vadose zone flow processes during rainfall-infiltration events.

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

PubMed Central

Onufriev, Alexey V.

2013-01-01

We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA) retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance the extent of the charge distribution–the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom), is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å ) is half that of the point multipole expansion up to the octupole order. PMID:23861790

Form factors of the d*(2380 ) resonance

NASA Astrophysics Data System (ADS)

Dong, Yubing; Shen, Pengnian; Zhang, Zongye

2018-06-01

In order to explore the possible physical quantities for judging different structures of the newly observed resonance d*(2380 ), we study its electromagnetic form factors. In addition to the electric charge monopole C 0 , we calculate its electric quadrupole E 2 , magnetic dipole M 1 , and magnetic octupole M 3 form factors on the base of the realistic coupled Δ Δ +C8C8 channel d* wave function with both the S - and D -partial waves. The results show that the magnetic dipole moment and electric quadrupole deformation of d* are 7.602 and 2.53 ×10-2 fm2 , respectively. The calculated magnetic dipole moment in the naive constituent quark model is also compared with the result of D12π picture. By comparing with partial results where the d* state is considered with a single Δ Δ and with a D12π structures, we find that in addition to the charge distribution of d*, the magnetic dipole moment and magnetic radius can be used to discriminate different structures of d*. Moreover, a quite small electric quadrupole deformation indicates that d* is more inclined to a slightly oblate shape due to our compact hexaquark dominated structure of d*.

Mutual Coupling Analysis for Conformal Microstrip Antennas.

DTIC Science & Technology

1984-12-01

6 0.001/ko, and the infinite integral is terminated at k 150 ko . 28*,-J ." . .. C. MUTUAL COUPLING ANALYSIS In this section, the moment method ...fact that it does provide an attractive alternative to the Green’s function method on which the analysis in later sections is based. In the present...by the moment method , the chosen set of expansion dipole modes plays a very important role. The efficiency as well as accuracy of the analysis depend

Subtraction method in the Second Random Phase Approximation

NASA Astrophysics Data System (ADS)

Gambacurta, Danilo

2018-02-01

We discuss the subtraction method applied to the Second Random Phase Approximation (SRPA). This method has been proposed to overcome double counting and stability issues appearing in beyond mean-field calculations. We show that the subtraction procedure leads to a considerable reduction of the SRPA downwards shift with respect to the random phase approximation (RPA) spectra and to results that are weakly cutoff dependent. Applications to the isoscalar monopole and quadrupole response in 16O and to the low-lying dipole response in 48Ca are shown and discussed.

Changes in solar wind-magnetosphere coupling with solar cycle, season, and time relative to stream interfaces

NASA Astrophysics Data System (ADS)

McPherron, Robert L.; Baker, Daniel N.; Pulkkinen, T. I.; Hsu, T.-S.; Kissinger, J.; Chu, X.

2013-07-01

Geomagnetic activity depends on a variety of factors including solar zenith angle, solar UV, strength of the interplanetary magnetic field, speed and density of the solar wind, orientation of the Earth’s dipole, distance of the Earth from Sun, occurrence of CMEs and CIRs, and possibly other parameters. We have investigated some of these using state-dependant linear prediction filters. For a given state a prediction filter transforms a coupling function such as rectified solar wind electric field (VBs) to an output like the auroral electrojet index (AL). The area of this filter calculated from the sum of the filter coefficients measures the strength of the coupling. When the input and output are steady for a time longer than the duration of the filter the ratio of output to input is equal to this area. We find coupling strength defined in this way for Es=VBs to AL (and AU) is weakest at solar maximum and strongest at solar minimum. AL coupling displays a semiannual variation being weakest at the solstices and strongest at the equinoxes. AU coupling has only an annual variation being strongest at summer solstice. AL and AU coupling also vary with time relative to a stream interface. Es coupling is weaker after the interface, but ULF coupling is stronger. Total prediction efficiency remains about constant at the interface. The change in coupling strength with the solar cycle can be explained as an effect of more frequent saturation of the polar cap potential causing a smaller ratio of AL to Es. Stronger AL coupling at the equinoxes possibly indicates some process that makes magnetic reconnection less efficient when the dipole axis is tilted along the Earth-Sun line. Strong AU coupling at summer solstice is likely due to high conductivity in northern summer. Coupling changes at a stream interface are correlated with the presence of strong wave activity in ground and satellite measurements and may be an artifact of the method by which solar wind data are propagated.

Kramers–Henneberger Form of Strong Field Theory with the Correction of Dipole Approximation

NASA Astrophysics Data System (ADS)

Huo, Yi-Ning; Li, Jian; Ma, Feng-Cai

2018-04-01

Not Available Supported by the National Natural Science Foundation of China under Grant Nos 11274149 and 11304185, and the Program of Shenyang Key Laboratory of Optoelectronic Materials and Technology under Grant No F12-254-1-00.

Magnetic quenching of photonic activity in Fe3O4-elastomer composite

NASA Astrophysics Data System (ADS)

Ma, Danhao; Hess, Dustin T.; Shetty, Pralav P.; Adu, Kofi W.; Bell, Richard C.; Terrones, Mauricio

2016-01-01

We report a quenching phenomenon within the visible region of the electromagnetic spectrum in the photonic response of a passive Fe3O4-silicone elastomer composite film due to magnetically aligned Fe3O4 nanoparticles. We performed systematic studies of the polarization dependence, the effect of particle size, and an in- and out-of-plane particle alignment on the optical response of the Fe3O4-silicone elastomer composites using a UV/vis/NIR spectrometer. We observed systematic redshifts in the response of the out-of-plane composite films with increasing particle alignment and weight that are attributed to dipole-induced effects. There were no observable shifts in the spectra of the in-plane films, suggesting the orientation of the magnetic dipole and the induced electric dipole play a crucial role in the optical response. A dramatic suppression to near quenching of the photonic response occurred in films containing moderate concentrations of the aligned nanoparticles. This is attributed to the interplay between the intra- and the interparticle dipoles. This occurred even when low magnetic fields were used during the curing process, suggesting that particle alignment and particle size limitation are critical in the manipulation of the photonic properties. A dipole approximation model is used to explain the quenching phenomenon. An active system of such a composite has a potential application in magneto-optic switches.

Increased in Variability in Climatological Means and Extremes in the Great Plains

NASA Astrophysics Data System (ADS)

Basara, J. B.; Flanagan, P. X.; Christian, J.; Christian, K.

2016-12-01

The Great Plains (GP) of North America is characterized by orthogonal gradients of temperature and precipitation extending from the Gulf of Mexico in the south to the coniferous forests of Canada to the north and are bordered on the west by the Rocky Mountains and then spread east approximately 1000 km into the interior regions of North America. As a result, significant biodiversity exists across relatively short distances within the region. However, because the gradient of precipitation is large across the GP, multiple environmental factors can lead to significant variability in temperature and precipitation at periods spanning seasonal, to interannual, to decadal scales. In addition, the GP region has shown significant coupling between the surface and the atmosphere, especially during the warm season. As a result, the GP often experiences significant hydrometeorological and hydroclimatological extremes across varying spatial and temporal scales including long-term drought, flash drought, flash flooding, and long-term pluvial periods with significant impacts to ecosystem function. Results into analyses of drought to pluvial dipole events in the GP noted that on average, over twice as many dipoles existed in the latter half of the dataset (1955-2013) relative to the first half (1896-1954). In addition an Asynchronous Difference Index (ADI) computed by determining the difference between the dates of precipitation and temperature maxima revealed two physically distinct regimes of ADI (positive and negative), with comparable shifts in the timing of both the maximum of precipitation and temperature within the GP. Time series analysis of decadal average ADI yielded moderate shifts in ADI with increased variability occurring over much of the GP region.

Pyroelectricity of water ice.

PubMed

Wang, Hanfu; Bell, Richard C; Iedema, Martin J; Schenter, Gregory K; Wu, Kai; Cowin, James P

2008-05-22

Water ice usually is thought to have zero pyroelectricity by symmetry. However, biasing it with ions breaks the symmetry because of the induced partial dipole alignment. This unmasks a large pyroelectricity. Ions were soft-landed upon 1 mum films of water ice at temperatures greater than 160 K. When cooled below 140-150 K, the dipole alignment locks in. Work function measurements of these films then show high and reversible pyroelectric activity from 30 to 150 K. For an initial approximately 10 V induced by the deposited ions at 160 K, the observed bias below 150 K varies approximately as 10 Vx(T/150 K)2. This implies that water has pyroelectric coefficients as large as that of many commercial pyroelectrics, such as lead zirconate titanate (PZT). The pyroelectricity of water ice, not previously reported, is in reasonable agreement with that predicted using harmonic analysis of a model system of SPC ice. The pyroelectricity is observed in crystalline and compact amorphous ice, deuterated or not. This implies that for water ice between 0 and 150 K (such as astrophysical ices), temperature changes can induce strong electric fields (approximately 10 MV/m) that can influence their chemistry, ion trajectories, or binding.

How coupling affects closely packed rectenna arrays used for wireless power transmission

NASA Astrophysics Data System (ADS)

Walls, Deidra; Choi, Sang H.; Yoon, Hargsoon; Geddis, Demetris; Song, Kyo D.

2017-04-01

The development of power transmission by microwave beam power harvesting attracts manufactures for use of wireless power transmission. Optimizing maximum conversion efficiency is affected by many design parameters, and has been mainly focused previously. Combining several rectennas in one array potentially aides in the amount of microwave energy that can be harvested for energy conversion. Closely packed rectenna arrays is the result of the demand to minimize size and weight for flexibility. This paper specifically focuses on the coupling effects on power; mutual coupling, comparing sparameters and gain total while varying effective parameters. This paper investigates how coupling between each dipole positively and negatively affects the microwave energy, harvesting, and the design limitations.

Parity-violating electric-dipole transitions in helium

NASA Technical Reports Server (NTRS)

Hiller, J.; Sucher, J.; Bhatia, A. K.; Feinberg, G.

1980-01-01

The paper examines parity-violating electric-dipole transitions in He in order to gain insight into the reliability of approximate calculations which are carried out for transitions in many-electron atoms. The contributions of the nearest-lying states are computed with a variety of wave functions, including very simple product wave functions, Hartree-Fock functions and Hylleraas-type wave functions with up to 84 parameters. It is found that values of the matrix elements of the parity-violating interaction can differ considerably from the values obtained from the good wave functions, even when these simple wave functions give accurate values for the matrix elements in question

Second order optical nonlinearity of graphene due to electric quadrupole and magnetic dipole effects.

PubMed

Cheng, J L; Vermeulen, N; Sipe, J E

2017-03-06

We present a practical scheme to separate the contributions of the electric quadrupole-like and the magnetic dipole-like effects to the forbidden second order optical nonlinear response of graphene, and give analytic expressions for the second order optical conductivities, calculated from the independent particle approximation, with relaxation described in a phenomenological way. We predict strong second order nonlinear effects, including second harmonic generation, photon drag, and difference frequency generation. We discuss in detail the controllability of these effects by tuning the chemical potential, taking advantage of the dominant role played by interband optical transitions in the response.

Molecular ub figure-of-merit studies of solid solutions

NASA Astrophysics Data System (ADS)

Healy, David; Thomas, Philip R.; Szablewski, Marek; Cross, Graham H.

1995-10-01

The dipole moments ((mu) ) of a series of zwitterionic nonlinear optical chromophores doped into poly(methyl methacrylate) have been determined. Values of between 34 D and 38 D have been measured through the fitting of a uncurtailed Langevin function to the incidence angle dependence of the p-p second harmonic intensity generated from corona poled films. It is shown that accurate values of dipole moment can only be determined when the poling fields are lower than approximately 100 MVm-1 above which existing electric field poling models appear to be inadequate. The reasons for this are as yet unknown, possible mechanisms of the effect are presented.

Geoid Anomalies and the Near-Surface Dipole Distribution of Mass

NASA Technical Reports Server (NTRS)

Turcotte, D. L.; Ockendon, J. R.

1978-01-01

Although geoid or surface gravity anomalies cannot be uniquely related to an interior distribution of mass, they can be related to a surface mass distribution. However, over horizontal distances greater than about 100 km, the condition of isostatic equilibrium above the asthenosphere is a good approximation and the total mass per unit column is zero. Thus the surface distribution of mass is also zero. For this case we show that the surface gravitational potential anomaly can be uniquely related to a surface dipole distribution of mass. Variations in the thickness of the crust and lithosphere can be expected to produce undulations in the geoid.

Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. I. General axially nonadiabatic channel treatment.

PubMed

Auzinsh, M; Dashevskaya, E I; Litvin, I; Nikitin, E E; Troe, J

2013-08-28

The rate coefficients for capture of charged particles by dipolar polarizable symmetric top molecules in the quantum collision regime are calculated within an axially nonadiabatic channel approach. It uses the adiabatic approximation with respect to rotational transitions of the target within first-order charge-dipole interaction and takes into account the gyroscopic effect that decouples the intrinsic angular momentum from the collision axis. The results are valid for a wide range of collision energies (from single-wave capture to the classical limit) and dipole moments (from the Vogt-Wannier and fly-wheel to the adiabatic channel limit).

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

List, Nanna Holmgaard, E-mail: nhl@sdu.dk; Jensen, Hans Jørgen Aagaard; Kauczor, Joanna

2015-06-28

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure ofmore » the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.« less

Lidar cross-sections of soot fractal aggregates: Assessment of equivalent-sphere models

NASA Astrophysics Data System (ADS)

Ceolato, Romain; Gaudfrin, Florian; Pujol, Olivier; Riviere, Nicolas; Berg, Matthew J.; Sorensen, Christopher M.

2018-06-01

This work assesses the ability of equivalent-sphere models to reproduce the optical properties of soot aggregates relevant for lidar remote sensing, i.e. the backscattering and extinction cross sections. Lidar cross-sections are computed with a spectral discrete dipole approximation model over the visible-to-infrared (400-5000 nm) spectrum and compared with equivalent-sphere approximations. It is shown that the equivalent-sphere approximation, applied to fractal aggregates, has a limited ability to calculate such cross-sections well. The approximation should thus be used with caution for the computation of broadband lidar cross-sections, especially backscattering, at small and intermediate wavelengths (e.g. UV to visible).

The UAH Spinning Terrella Experiment: A Laboratory Analog for the Earth's Magnetosphere

NASA Technical Reports Server (NTRS)

Sheldon, R. B.; Gallagher, D. L.; Craven, P. D.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

The UAH Spinning Terrella Experiment has been modified to include the effect of a second magnet. This is a simple laboratory demonstration of the well-known double-dipole approximation to the Earth's magnetosphere. In addition, the magnet has been biassed $\\sim$-400V which generates a DC glow discharge and traps it in a ring current around the magnet. This ring current is easily imaged with a digital camera and illustrates several significant topological properties of a dipole field. In particular, when the two dipoles are aligned, and therefore repel, they emulate a northward IMF Bz magnetosphere. Such a geometry traps plasma in the high latitude cusps as can be clearly seen in the movies. Likewise, when the two magnets are anti-aligned, they emulate a southward IMF Bz magnetosphere with direct feeding of plasma through the x-line. We present evidence for trapping and heating of the plasma, comparing the dipole-trapped ring current to the cusp-trapped population. We also present a peculiar asymmetric ring current produced in by the plasma at low plasma densities. We discuss the similarities and dissimilarities of the laboratory analog to the collisionless Earth plasma, and implications for the interpretation of IMAGE data.

Relativistic coupled-cluster and density-functional studies of argon at high pressure

NASA Astrophysics Data System (ADS)

Schwerdtfeger, Peter; Steenbergen, Krista G.; Pahl, Elke

2017-06-01

The equation of state P (V ,T ) for solid argon is determined by the calculation of accurate static and vibrational terms in the free energy. The static component comes from a quantum theoretical many-body expansion summing over all energetic contributions from two-, three-, and four-body fragments treated with relativistic coupled cluster theory, while the lattice vibrations are described at an anharmonic level including two- and three-body forces as well as temperature effects. The dynamic part is calculated within the Debye and Einstein approximation, as well as by a more accurate phonon treatment where the vibrational motions in the lattice are coupled. Our results are in good agreement with room-temperature high-pressure experimental data up to ˜20 GPa. In the 20-100 GPa pressure range, however, we see considerable deviations between experiment and theory, perhaps indicating missing four-body contributions (beyond the quadruple dipole terms included here), missing five and higher-body effects, and the need to go beyond the coupled cluster singles-doubles with perturbative triples treatment in such higher-body forces. This contrasts with the results for solid neon, where excellent agreement has been achieved taking only two- and three-body forces into account [P. Schwerdtfeger and A. Hermann, Phys. Rev. B 80, 064106 (2009), 10.1103/PhysRevB.80.064106]. We demonstrate that the phase transition from fcc to hcp cannot account for the large discrepancies observed. Density functional calculations give very mixed results in the high-pressure region, but some functionals such as optB88-vdW (proposed by Lundqvist and co-workers) describe the many-body forces in argon reasonably well over the range of pressures investigated. Theoretical investigations of the heavier rare gas solids reaching experimental accuracy in the high-pressure regime therefore remain a significant challenge.

Rolf Landauer and Charles H. Bennett Award Talk: Experimental development of spin qubits in silicon

NASA Astrophysics Data System (ADS)

Morello, Andrea

The modern information era is built on silicon nanoelectronic devices. The future quantum information era might be built on silicon too, if we succeed in controlling the interactions between individual spins hosted in silicon nanostructures. Spins in silicon constitute excellent solid-state qubits, because of the weak spin-orbit coupling and the possibility to remove nuclear spins from the environment through 28Si isotopic enrichment. Substitutional 31P atoms in silicon behave approximately like hydrogen in vacuum, providing two spin 1/2 qubits - the donor-bound electron and the 31P nucleus - that can be coherently controlled, read out in single-shot, and are naturally coupled through the hyperfine interaction. In isotopically-enriched 28Si, these single-atom qubits have demonstrated outstanding coherence times, up to 35 seconds for the nuclear spin, and 1-qubit gate fidelities well above 99.9% for both the electron and the nucleus. The hyperfine coupling provides a built-in interaction to entangle the two qubits within one atom. The combined initialization, control and readout fidelities result in a violation of Bell's inequality with S = 2 . 70 , a record value for solid-state qubits. Despite being identical atomic systems, 31P atoms can be addressed individually by locally modifying the hyperfine interaction through electrostatic gating. Multi-qubit logic gates can be mediated either by the exchange interaction or by electric dipole coupling. Scaling up beyond a single atom presents formidable challenges, but provides a pathway to building quantum processors that are compatible with standard semiconductor fabrication, and retain a nanometric footprint, important for truly large-scale quantum computers. Work supported by US Army Research Office (W911NF-13-1-0024) and Australian Research Council (CE110001027).

Estimation of electronic coupling in π-stacked donor-bridge-acceptor systems: Correction of the two-state model

NASA Astrophysics Data System (ADS)

Voityuk, Alexander A.

2006-02-01

Comparison of donor-acceptor electronic couplings calculated within two-state and three-state models suggests that the two-state treatment can provide unreliable estimates of Vda because of neglecting the multistate effects. We show that in most cases accurate values of the electronic coupling in a π stack, where donor and acceptor are separated by a bridging unit, can be obtained as Ṽda=(E2-E1)μ12/Rda+(2E3-E1-E2)2μ13μ23/Rda2, where E1, E2, and E3 are adiabatic energies of the ground, charge-transfer, and bridge states, respectively, μij is the transition dipole moments between the states i and j, and Rda is the distance between the planes of donor and acceptor. In this expression based on the generalized Mulliken-Hush approach, the first term corresponds to the coupling derived within a two-state model, whereas the second term is the superexchange correction accounting for the bridge effect. The formula is extended to bridges consisting of several subunits. The influence of the donor-acceptor energy mismatch on the excess charge distribution, adiabatic dipole and transition moments, and electronic couplings is examined. A diagnostic is developed to determine whether the two-state approach can be applied. Based on numerical results, we showed that the superexchange correction considerably improves estimates of the donor-acceptor coupling derived within a two-state approach. In most cases when the two-state scheme fails, the formula gives reliable results which are in good agreement (within 5%) with the data of the three-state generalized Mulliken-Hush model.

Estimation of electronic coupling in pi-stacked donor-bridge-acceptor systems: correction of the two-state model.

PubMed

Voityuk, Alexander A

2006-02-14

Comparison of donor-acceptor electronic couplings calculated within two-state and three-state models suggests that the two-state treatment can provide unreliable estimates of V(da) because of neglecting the multistate effects. We show that in most cases accurate values of the electronic coupling in a pi stack, where donor and acceptor are separated by a bridging unit, can be obtained as V(da) = (E(2)-E(1))mu(12)R(da) + (2E(3)-E(1)-E(2))2mu(13)mu(23)R(da) (2), where E(1), E(2), and E(3) are adiabatic energies of the ground, charge-transfer, and bridge states, respectively, mu(ij) is the transition dipole moments between the states i and j, and R(da) is the distance between the planes of donor and acceptor. In this expression based on the generalized Mulliken-Hush approach, the first term corresponds to the coupling derived within a two-state model, whereas the second term is the superexchange correction accounting for the bridge effect. The formula is extended to bridges consisting of several subunits. The influence of the donor-acceptor energy mismatch on the excess charge distribution, adiabatic dipole and transition moments, and electronic couplings is examined. A diagnostic is developed to determine whether the two-state approach can be applied. Based on numerical results, we showed that the superexchange correction considerably improves estimates of the donor-acceptor coupling derived within a two-state approach. In most cases when the two-state scheme fails, the formula gives reliable results which are in good agreement (within 5%) with the data of the three-state generalized Mulliken-Hush model.

Stable dipole solitons and soliton complexes in the nonlinear Schrödinger equation with periodically modulated nonlinearity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lebedev, M. E., E-mail: gloriouslair@gmail.com, E-mail: galfimov@yahoo.com; Alfimov, G. L., E-mail: gloriouslair@gmail.com, E-mail: galfimov@yahoo.com; Malomed, Boris A., E-mail: malomed@post.tau.ac.il

We develop a general classification of the infinite number of families of solitons and soliton complexes in the one-dimensional Gross-Pitaevskii/nonlinear Schrödinger equation with a nonlinear lattice pseudopotential, i.e., periodically modulated coefficient in front of the cubic term, which takes both positive and negative local values. This model finds direct implementations in atomic Bose-Einstein condensates and nonlinear optics. The most essential finding is the existence of two branches of dipole solitons (DSs), which feature an antisymmetric shape, being essentially squeezed into a single cell of the nonlinear lattice. This soliton species was not previously considered in nonlinear lattices. We demonstrate thatmore » one branch of the DS family (namely, which obeys the Vakhitov-Kolokolov criterion) is stable, while unstable DSs spontaneously transform into stable fundamental solitons (FSs). The results are obtained in numerical and approximate analytical forms, the latter based on the variational approximation. Some stable bound states of FSs are found too.« less

Probing top-Z dipole moments at the LHC and ILC

DOE PAGES

Röntsch, Raoul; Schulze, Markus

2015-08-11

We investigate the weak electric and magnetic dipole moments of top quark-Z boson interactions at the Large Hadron Collider (LHC) and the International Linear Collider (ILC). Their vanishingly small magnitude in the Standard Model makes these couplings ideal for probing New Physics interactions and for exploring the role of top quarks in electroweak symmetry breaking. In our analysis, we consider the production of two top quarks in association with a Z boson at the LHC, and top quark pairs mediated by neutral gauge bosons at the ILC. These processes yield direct sensitivity to top quark-Z boson interactions and complement indirectmore » constraints from electroweak precision data. Our computation is accurate to next-to-leading order in QCD, we include the full decay chain of top quarks and the Z boson, and account for theoretical uncertainties in our constraints. Furthermore, we find that LHC experiments will soon be able to probe weak dipole moments for the first time.« less

A biophysical observation model for field potentials of networks of leaky integrate-and-fire neurons.

PubMed

Beim Graben, Peter; Rodrigues, Serafim

2012-01-01

We present a biophysical approach for the coupling of neural network activity as resulting from proper dipole currents of cortical pyramidal neurons to the electric field in extracellular fluid. Starting from a reduced three-compartment model of a single pyramidal neuron, we derive an observation model for dendritic dipole currents in extracellular space and thereby for the dendritic field potential (DFP) that contributes to the local field potential (LFP) of a neural population. This work aligns and satisfies the widespread dipole assumption that is motivated by the "open-field" configuration of the DFP around cortical pyramidal cells. Our reduced three-compartment scheme allows to derive networks of leaky integrate-and-fire (LIF) models, which facilitates comparison with existing neural network and observation models. In particular, by means of numerical simulations we compare our approach with an ad hoc model by Mazzoni et al. (2008), and conclude that our biophysically motivated approach yields substantial improvement.

Terahertz radiation in graphene hyperbolic medium excited by an electric dipole.

PubMed

Feng, Xiaodong; Gong, Sen; Zhong, Renbin; Zhao, Tao; Hu, Min; Zhang, Chao; Liu, Shenggang

2018-03-01

In this Letter, the enhanced and directional radiation in a wide terahertz (THz) frequency range in a graphene hyperbolic medium excited by an electric dipole is presented. The numerical simulations and theoretical analyses indicate that the enhanced radiation comes from the strong surface plasmon couplings in the graphene hyperbolic medium, consisting of alternative graphene and dielectric substrate layers. The simulation results also show that the peak power flow of the enhanced THz radiation in the graphene hyperbolic medium is dramatically enhanced by more than 1 order of magnitude over that in a general medium within a certain distance from the dipole, and the electromagnetic fields are strongly concentrated in a narrow angle. Also, the radiation fields can be manipulated, and the fields' angular distributions can be tuned by adjusting the dielectric permittivity and thickness of the substrates, and the chemical potential of graphene. Accordingly, it provides a good opportunity for developing miniature, integratable, high-power-density, and tunable radiation sources in the THz band at room temperature.

Theoretical Foundation for Electric-Dipole-Allowed Chiral-Specific Fluorescence Optical Rotary Dispersion (F-ORD) from Interfacial Assemblies.

PubMed

Deng, Fengyuan; Ulcickas, James R W; Simpson, Garth J

2016-11-03

Fluorescence optical rotary dispersion (F-ORD) is proposed as a novel chiral-specific and interface-specific spectroscopic method. F-ORD measurements of uniaxial assemblies are predicted to be fully electric-dipole-allowed, with corresponding increases in sensitivity to chirality relative to chiral-specific measurements in isotropic assemblies that are commonly interpreted through coupling between electric and magnetic dynamic dipoles. Observations of strong chiral sensitivity in prior single-molecule fluorescence measurements of chiral interfacial molecules are in excellent qualitative agreement with the predictions of the F-ORD mechanism and challenging to otherwise explain. F-ORD may provide methods to suppress background fluorescence in studies of biological interfaces, as the detected signal requires both polar local order and interfacial chirality. In addition, the molecular-level descriptions of the mechanisms underpinning F-ORD may also potentially apply to aid in interpreting chiral-specific Raman and surface-enhanced Raman spectroscopy measurements of uniaxially oriented assemblies, opening up opportunities for chiral-specific and interface-specific vibrational spectroscopy.

Maser Emission from Gravitational States on Isolated Neutron Stars

NASA Astrophysics Data System (ADS)

Tepliakov, Nikita V.; Vovk, Tatiana A.; Rukhlenko, Ivan D.; Rozhdestvensky, Yuri V.

2018-04-01

Despite years of research on neutron stars, the source of their radio emission is still under debate. Here we propose a new coherent mechanism of pulsar radio emission based on transitions between gravitational states of electrons confined above the pulsar atmosphere. Our mechanism assumes that the coherent radiation is generated upon the electric and magnetic dipole transitions of electrons falling onto the polar caps of the pulsar, and predicts that this radiation occurs at radio frequencies—in full agreement with the observed emission spectra. We show that while the linearly polarized electric dipole radiation propagates parallel to the neutron star surface and has a fan-shape angular spectrum, the magnetic dipole emission comes from the magnetic poles of the pulsar in the form of two narrow beams and is elliptically polarized due to the spin–orbit coupling of electrons confined by the magnetic field. By explaining the main observables of the pulsar radio emission, the proposed mechanism indicates that gravitational quantum confinement plays an essential role in the physics of neutron stars.

A biophysical observation model for field potentials of networks of leaky integrate-and-fire neurons

PubMed Central

beim Graben, Peter; Rodrigues, Serafim

2013-01-01

We present a biophysical approach for the coupling of neural network activity as resulting from proper dipole currents of cortical pyramidal neurons to the electric field in extracellular fluid. Starting from a reduced three-compartment model of a single pyramidal neuron, we derive an observation model for dendritic dipole currents in extracellular space and thereby for the dendritic field potential (DFP) that contributes to the local field potential (LFP) of a neural population. This work aligns and satisfies the widespread dipole assumption that is motivated by the “open-field” configuration of the DFP around cortical pyramidal cells. Our reduced three-compartment scheme allows to derive networks of leaky integrate-and-fire (LIF) models, which facilitates comparison with existing neural network and observation models. In particular, by means of numerical simulations we compare our approach with an ad hoc model by Mazzoni et al. (2008), and conclude that our biophysically motivated approach yields substantial improvement. PMID:23316157