Steady bipartite coherence induced by non-equilibrium environment

NASA Astrophysics Data System (ADS)

Huangfu, Yong; Jing, Jun

2018-01-01

We study the steady state of two coupled two-level atoms interacting with a non-equilibrium environment that consists of two heat baths at different temperatures. Specifically, we analyze four cases with respect to the configuration about the interactions between atoms and heat baths. Using secular approximation, the conventional master equation usually neglects steady-state coherence, even when the system is coupled with a non-equilibrium environment. When employing the master equation with no secular approximation, we find that the system coherence in our model, denoted by the off-diagonal terms in the reduced density matrix spanned by the eigenvectors of the system Hamiltonian, would survive after a long-time decoherence evolution. The absolute value of residual coherence in the system relies on different configurations of interaction channels between the system and the heat baths. We find that a large steady quantum coherence term can be achieved when the two atoms are resonant. The absolute value of quantum coherence decreases in the presence of additional atom-bath interaction channels. Our work sheds new light on the mechanism of steady-state coherence in microscopic quantum systems in non-equilibrium environments.

Control of electron spin and orbital resonances in quantum dots through spin-orbit interactions

NASA Astrophysics Data System (ADS)

Stano, Peter; Fabian, Jaroslav

2008-01-01

The influence of a resonant oscillating electromagnetic field on a single electron in coupled lateral quantum dots in the presence of phonon-induced relaxation and decoherence is investigated. Using symmetry arguments, it is shown that the spin and orbital resonances can be efficiently controlled by spin-orbit interactions. The control is possible due to the strong sensitivity of the Rabi frequency to the dot configuration (the orientation of the dot and the applied static magnetic field); the sensitivity is a result of the anisotropy of the spin-orbit interactions. The so-called easy passage configuration is shown to be particularly suitable for a magnetic manipulation of spin qubits, ensuring long spin relaxation times and protecting the spin qubits from electric field disturbances accompanying on-chip manipulations.

Threshold resummation S factor in QCD: The case of unequal masses

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

Solovtsova, O. P., E-mail: olsol@theor.jinr.r; Chernichenko, Yu. D., E-mail: chern@gstu.gomel.b

A new relativistic Coulomb-like threshold resummation S factor in quantum chromodynamics is obtained. The analysis in question is performed within the quantum-field-theory quasipotential approach formulated in the relativistic configuration representation for the case of interaction between two relativistic particles that have unequal masses.

Coulomb versus spin-orbit interaction in few-electron carbon-nanotube quantum dots

NASA Astrophysics Data System (ADS)

Secchi, Andrea; Rontani, Massimo

2009-07-01

Few-electron states in carbon-nanotube quantum dots are studied by means of the configuration-interaction method. The peculiar noninteracting feature of the tunneling spectrum for two electrons, recently measured by F. Kuemmeth, S. Ilani, D. C. Ralph, and P. L. McEuen [Nature (London) 452, 448 (2008)], is explained by the splitting of a low-lying isospin multiplet due to spin-orbit interaction. Nevertheless, the strongly interacting ground state forms a “Wigner molecule” made of electrons localized in space. Signatures of the electron molecule may be seen in tunneling spectra by varying the tunable dot confinement potential.

Tuning of few-electron states and optical absorption anisotropy in GaAs quantum rings.

PubMed

Wu, Zhenhua; Li, Jian; Li, Jun; Yin, Huaxiang; Liu, Yu

2017-11-15

The electronic and optical properties of a GaAs quantum ring (QR) with few electrons in the presence of the Rashba spin-orbit interaction (RSOI) and the Dresselhaus spin-orbit interaction (DSOI) have been investigated theoretically. The configuration interaction (CI) method is employed to calculate the eigenvalues and eigenstates of the multiple-electron QR accurately. Our numerical results demonstrate that the symmetry breaking induced by the RSOI and DSOI leads to an anisotropic distribution of multi-electron states. The Coulomb interaction offers additional modulation of the electron distribution and thus the optical absorption indices in the quantum rings. By tuning the magnetic/electric fields and/or electron numbers in a quantum ring, one can change its optical properties significantly. Our theory provides a new way to control the multi-electron states and optical properties of a QR by hybrid modulations or by electrical means only.

Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo

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

Thomas, Robert E.; Overy, Catherine; Opalka, Daniel

Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, “replica” ensemble of walkers, whose population evolves in imaginary time independently from the first and which entails only modest additional computational overheads. The matrices obtained from this approach are shown to be representative of full configuration-interaction quality and hence provide a realistic opportunity to achieve high-quality results for a range of properties whose operators do not necessarily commute with the Hamiltonian. A density-matrix formulated quasi-variational energy estimator having been already proposed and investigated, themore » present work extends the scope of the theory to take in studies of analytic nuclear forces, molecular dipole moments, and polarisabilities, with extensive comparison to exact results where possible. These new results confirm the suitability of the sampling technique and, where sufficiently large basis sets are available, achieve close agreement with experimental values, expanding the scope of the method to new areas of investigation.« less

BPHZ renormalization in configuration space for the A4-model

NASA Astrophysics Data System (ADS)

Pottel, Steffen

2018-02-01

Recent developments for BPHZ renormalization performed in configuration space are reviewed and applied to the model of a scalar quantum field with quartic self-interaction. An extension of the results regarding the short-distance expansion and the Zimmermann identity is shown for a normal product, which is quadratic in the field operator. The realization of the equation of motion is computed for the interacting field and the relation to parametric differential equations is indicated.

Comment on "Propagation of a TE surface mode in a relativistic electron beam-quantum plasma system" [Phys. Lett. A 376 (2012) 169

NASA Astrophysics Data System (ADS)

Moradi, Afshin

2016-07-01

In a recent paper Abdel Aziz [Phys. Lett. A 376 (2012) 169] obtained the dispersion properties of TE surface modes propagating at the interface between a magnetized quantum plasma and vacuum in the Faraday configuration, where these TE surface waves are excited during the interaction of relativistic electron beam with magnetized quantum plasma. The present Comment points out that in the Faraday configuration the surface waves acquire both TM and TE components due to the cyclotron motion of electrons. Therefore, the TE surface waves cannot propagate on surface of the present system and the general dispersion relations for surface waves, derived by Abdel Aziz are incorrect.

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo.

PubMed

Overy, Catherine; Booth, George H; Blunt, N S; Shepherd, James J; Cleland, Deidre; Alavi, Ali

2014-12-28

Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems.

Fano effect dominance over Coulomb blockade in transport properties of parallel coupled quantum dot system

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

Brogi, Bharat Bhushan, E-mail: brogi-221179@yahoo.in; Ahluwalia, P. K.; Chand, Shyam

2015-06-24

Theoretical study of the Coulomb blockade effect on transport properties (Transmission Probability and I-V characteristics) for varied configuration of coupled quantum dot system has been studied by using Non Equilibrium Green Function(NEGF) formalism and Equation of Motion(EOM) method in the presence of magnetic flux. The self consistent approach and intra-dot Coulomb interaction is being taken into account. As the key parameters of the coupled quantum dot system such as dot-lead coupling, inter-dot tunneling and magnetic flux threading through the system can be tuned, the effect of asymmetry parameter and magnetic flux on this tuning is being explored in Coulomb blockademore » regime. The presence of the Coulomb blockade due to on-dot Coulomb interaction decreases the width of transmission peak at energy level ε + U and by adjusting the magnetic flux the swapping effect in the Fano peaks in asymmetric and symmetric parallel configuration sustains despite strong Coulomb blockade effect.« less

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

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

Overy, Catherine; Blunt, N. S.; Shepherd, James J.

2014-12-28

Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamicmore » itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems.« less

Optical signatures of coupled quantum dots.

PubMed

Stinaff, E A; Scheibner, M; Bracker, A S; Ponomarev, I V; Korenev, V L; Ware, M E; Doty, M F; Reinecke, T L; Gammon, D

2006-02-03

An asymmetric pair of coupled InAs quantum dots is tuned into resonance by applying an electric field so that a single hole forms a coherent molecular wave function. The optical spectrum shows a rich pattern of level anticrossings and crossings that can be understood as a superposition of charge and spin configurations of the two dots. Coulomb interactions shift the molecular resonance of the optically excited state (charged exciton) with respect to the ground state (single charge), enabling light-induced coupling of the quantum dots. This result demonstrates the possibility of optically coupling quantum dots for application in quantum information processing.

Optical Signatures of Coupled Quantum Dots

NASA Astrophysics Data System (ADS)

Stinaff, E. A.; Scheibner, M.; Bracker, A. S.; Ponomarev, I. V.; Korenev, V. L.; Ware, M. E.; Doty, M. F.; Reinecke, T. L.; Gammon, D.

2006-02-01

An asymmetric pair of coupled InAs quantum dots is tuned into resonance by applying an electric field so that a single hole forms a coherent molecular wave function. The optical spectrum shows a rich pattern of level anticrossings and crossings that can be understood as a superposition of charge and spin configurations of the two dots. Coulomb interactions shift the molecular resonance of the optically excited state (charged exciton) with respect to the ground state (single charge), enabling light-induced coupling of the quantum dots. This result demonstrates the possibility of optically coupling quantum dots for application in quantum information processing.

Studies of excited states of HeH by the multi-reference configuration-interaction method

NASA Astrophysics Data System (ADS)

Lee, Chun-Woo; Gim, Yeongrok

2013-11-01

The excited states of a HeH molecule for an n of up to 4 are studied using the multi-reference configuration-interaction method and Kaufmann's Rydberg basis functions. The advantages of using two different ways of locating Rydberg orbitals, either on the atomic nucleus or at the charge centre of molecules, are exploited by limiting their application to different ranges of R. Using this method, the difference between the experimental binding energies of the lower Rydberg states obtained by Ketterle and the ab initio results obtained by van Hemert and Peyerimhoff is reduced from a few hundreds of wave numbers to a few tens of wave numbers. A substantial improvement in the accuracy allows us to obtain quantum defect curves characterized by the correct behaviour. We obtain several Rydberg series that have more than one member, such as the ns series (n = 2, 3 and 4), npσ series (n = 3 and 4), npπ (n = 2, 3, 4) series and ndπ (n = 3, 4) series. These quantum defect curves are compared to the quantum defect curves obtained by the R-matrix or the multichannel quantum defect theory methods.

Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer.

PubMed

Sharma, Sandeep; Yanai, Takeshi; Booth, George H; Umrigar, C J; Chan, Garnet Kin-Lic

2014-03-14

We combine explicit correlation via the canonical transcorrelation approach with the density matrix renormalization group and initiator full configuration interaction quantum Monte Carlo methods to compute a near-exact beryllium dimer curve, without the use of composite methods. In particular, our direct density matrix renormalization group calculations produce a well-depth of D(e) = 931.2 cm(-1) which agrees very well with recent experimentally derived estimates D(e) = 929.7±2 cm(-1) [J. M. Merritt, V. E. Bondybey, and M. C. Heaven, Science 324, 1548 (2009)] and D(e) = 934.6 cm(-1) [K. Patkowski, V. Špirko, and K. Szalewicz, Science 326, 1382 (2009)], as well the best composite theoretical estimates, D(e) = 938±15 cm(-1) [K. Patkowski, R. Podeszwa, and K. Szalewicz, J. Phys. Chem. A 111, 12822 (2007)] and D(e) = 935.1±10 cm(-1) [J. Koput, Phys. Chem. Chem. Phys. 13, 20311 (2011)]. Our results suggest possible inaccuracies in the functional form of the potential used at shorter bond lengths to fit the experimental data [J. M. Merritt, V. E. Bondybey, and M. C. Heaven, Science 324, 1548 (2009)]. With the density matrix renormalization group we also compute near-exact vertical excitation energies at the equilibrium geometry. These provide non-trivial benchmarks for quantum chemical methods for excited states, and illustrate the surprisingly large error that remains for 1 ¹Σ(g)⁻ state with approximate multi-reference configuration interaction and equation-of-motion coupled cluster methods. Overall, we demonstrate that explicitly correlated density matrix renormalization group and initiator full configuration interaction quantum Monte Carlo methods allow us to fully converge to the basis set and correlation limit of the non-relativistic Schrödinger equation in small molecules.

Linear-algebraic bath transformation for simulating complex open quantum systems

DOE PAGES

Huh, Joonsuk; Mostame, Sarah; Fujita, Takatoshi; ...

2014-12-02

In studying open quantum systems, the environment is often approximated as a collection of non-interacting harmonic oscillators, a configuration also known as the star-bath model. It is also well known that the star-bath can be transformed into a nearest-neighbor interacting chain of oscillators. The chain-bath model has been widely used in renormalization group approaches. The transformation can be obtained by recursion relations or orthogonal polynomials. Based on a simple linear algebraic approach, we propose a bath partition strategy to reduce the system-bath coupling strength. As a result, the non-interacting star-bath is transformed into a set of weakly coupled multiple parallelmore » chains. Furthermore, the transformed bath model allows complex problems to be practically implemented on quantum simulators, and it can also be employed in various numerical simulations of open quantum dynamics.« less

A quantum relativistic battle of the sexes cellular automaton

NASA Astrophysics Data System (ADS)

Alonso-Sanz, Ramón; Situ, Haozhen

2017-02-01

The effect of variable entangling on the dynamics of a spatial quantum relativistic formulation of the iterated battle of the sexes game is studied in this work. The game is played in the cellular automata manner, i.e., with local and synchronous interaction. The game is assessed in fair and unfair contests. Despite the full range of quantum parameters initially accessible, they promptly converge into fairly stable configurations, that often show rich spatial structures in simulations with no negligible entanglement.

Entangling spin-spin interactions of ions in individually controlled potential wells

NASA Astrophysics Data System (ADS)

Wilson, Andrew; Colombe, Yves; Brown, Kenton; Knill, Emanuel; Leibfried, Dietrich; Wineland, David

2014-03-01

Physical systems that cannot be modeled with classical computers appear in many different branches of science, including condensed-matter physics, statistical mechanics, high-energy physics, atomic physics and quantum chemistry. Despite impressive progress on the control and manipulation of various quantum systems, implementation of scalable devices for quantum simulation remains a formidable challenge. As one approach to scalability in simulation, here we demonstrate an elementary building-block of a configurable quantum simulator based on atomic ions. Two ions are trapped in separate potential wells that can individually be tailored to emulate a number of different spin-spin couplings mediated by the ions' Coulomb interaction together with classical laser and microwave fields. We demonstrate deterministic tuning of this interaction by independent control of the local wells and emulate a particular spin-spin interaction to entangle the internal states of the two ions with 0.81(2) fidelity. Extension of the building-block demonstrated here to a 2D-network, which ion-trap micro-fabrication processes enable, may provide a new quantum simulator architecture with broad flexibility in designing and scaling the arrangement of ions and their mutual interactions. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), ONR, and the NIST Quantum Information Program.

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.

Driven-dissipative quantum Monte Carlo method for open quantum systems

NASA Astrophysics Data System (ADS)

Nagy, Alexandra; Savona, Vincenzo

2018-05-01

We develop a real-time full configuration-interaction quantum Monte Carlo approach to model driven-dissipative open quantum systems with Markovian system-bath coupling. The method enables stochastic sampling of the Liouville-von Neumann time evolution of the density matrix thanks to a massively parallel algorithm, thus providing estimates of observables on the nonequilibrium steady state. We present the underlying theory and introduce an initiator technique and importance sampling to reduce the statistical error. Finally, we demonstrate the efficiency of our approach by applying it to the driven-dissipative two-dimensional X Y Z spin-1/2 model on a lattice.

Plasmon-Exciton Interactions Probed Using Spatial Coentrapment of Nanoparticles by Topological Singularities.

PubMed

Ackerman, Paul J; Mundoor, Haridas; Smalyukh, Ivan I; van de Lagemaat, Jao

2015-12-22

We study plasmon-exciton interaction by using topological singularities to spatially confine, selectively deliver, cotrap and optically probe colloidal semiconductor and plasmonic nanoparticles. The interaction is monitored in a single quantum system in the bulk of a liquid crystal medium where nanoparticles are manipulated and nanoconfined far from dielectric interfaces using laser tweezers and topological configurations containing singularities. When quantum dot-in-a-rod particles are spatially colocated with a plasmonic gold nanoburst particle in a topological singularity core, its fluorescence increases because blinking is significantly suppressed and the radiative decay rate increases by nearly an order of magnitude owing to the Purcell effect. We argue that the blinking suppression is the result of the radiative rate change that mitigates Auger recombination and quantum dot ionization, consequently reducing nonradiative recombination. Our work demonstrates that topological singularities are an effective platform for studying and controlling plasmon-exciton interactions.

Plasmon–Exciton Interactions Probed Using Spatial Coentrapment of Nanoparticles by Topological Singularities

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

Ackerman, Paul J.; Mundoor, Haridas; Smalyukh, Ivan I.

2015-12-22

We study plasmon-exciton interaction by using topological singularities to spatially confine, selectively deliver, cotrap and optically probe colloidal semiconductor and plasmonic nanoparticles. The interaction is monitored in a single quantum system in the bulk of a liquid crystal medium where nanoparticles are manipulated and nanoconfined far from dielectric interfaces using laser tweezers and topological configurations containing singularities. When quantum dot-in-a-rod particles are spatially colocated with a plasmonic gold nanoburst particle in a topological singularity core, its fluorescence increases because blinking is significantly suppressed and the radiative decay rate increases by nearly an order of magnitude owing to the Purcell effect.more » We argue that the blinking suppression is the result of the radiative rate change that mitigates Auger recombination and quantum dot ionization, consequently reducing nonradiative recombination. Our work demonstrates that topological singularities are an effective platform for studying and controlling plasmon-exciton interactions.« less

Rydberg blockade in three-atom systems

NASA Astrophysics Data System (ADS)

Barredo, Daniel; Ravets, Sylvain; Labuhn, Henning; Beguin, Lucas; Vernier, Aline; Chicireanu, Radu; Nogrette, Florence; Lahaye, Thierry; Browaeys, Antoine

2014-05-01

The control of individual neutral atoms in arrays of optical tweezers is a promising avenue for quantum science and technology. Here we demonstrate unprecedented control over a system of three Rydberg atoms arranged in linear and triangular configurations. The interaction between Rydberg atoms results in the observation of an almost perfect van der Waals blockade. When the single-atom Rabi frequency for excitation to the Rydberg state is comparable to the interaction energy, we directly observe the anisotropy of the interaction between nD-states. Using the independently measured two-body interaction energy shifts we fully reproduce the dynamics of the three-atom system with a model based on a master equation without any adjustable parameter. Combined with our ability to trap single atoms in arbitrary patterns of 2D arrays of up to 100 traps separated by a few microns, these results are very promising for a scalable implementation of quantum simulation of frustrated quantum magnetism with Rydberg atoms.

Quantum trajectory analysis of multimode subsystem-bath dynamics.

PubMed

Wyatt, Robert E; Na, Kyungsun

2002-01-01

The dynamics of a swarm of quantum trajectories is investigated for systems involving the interaction of an active mode (the subsystem) with an M-mode harmonic reservoir (the bath). Equations of motion for the position, velocity, and action function for elements of the probability fluid are integrated in the Lagrangian (moving with the fluid) picture of quantum hydrodynamics. These fluid elements are coupled through the Bohm quantum potential and as a result evolve as a correlated ensemble. Wave function synthesis along the trajectories permits an exact description of the quantum dynamics for the evolving probability fluid. The approach is fully quantum mechanical and does not involve classical or semiclassical approximations. Computational results are presented for three systems involving the interaction on an active mode with M=1, 10, and 15 bath modes. These results include configuration space trajectory evolution, flux analysis of the evolving ensemble, wave function synthesis along trajectories, and energy partitioning along specific trajectories. These results demonstrate the feasibility of using a small number of quantum trajectories to obtain accurate quantum results on some types of open quantum systems that are not amenable to standard quantum approaches involving basis set expansions or Eulerian space-fixed grids.

Two-qubit logical operations in three quantum dots system.

PubMed

Łuczak, Jakub; Bułka, Bogdan R

2018-06-06

We consider a model of two interacting always-on, exchange-only qubits for which controlled phase (CPHASE), controlled NOT (CNOT), quantum Fourier transform (QFT) and SWAP operations can be implemented only in a few electrical pulses in a nanosecond time scale. Each qubit is built of three quantum dots (TQD) in a triangular geometry with three electron spins which are always kept coupled by exchange interactions only. The qubit states are encoded in a doublet subspace and are fully electrically controlled by a voltage applied to gate electrodes. The two qubit quantum gates are realized by short electrical pulses which change the triangular symmetry of TQD and switch on exchange interaction between the qubits. We found an optimal configuration to implement the CPHASE gate by a single pulse of the order 2.3 ns. Using this gate, in combination with single qubit operations, we searched for optimal conditions to perform the other gates: CNOT, QFT and SWAP. Our studies take into account environment effects and leakage processes as well. The results suggest that the system can be implemented for fault tolerant quantum computations.

Quantum phases of a three-level matter-radiation interaction model using SU(3) coherent states with different cooperation numbers

NASA Astrophysics Data System (ADS)

Quezada, L. F.; Nahmad-Achar, E.

2018-06-01

We use coherent states as trial states for a variational approach to study a system of a finite number of three-level atoms interacting in a dipolar approximation with a one-mode electromagnetic field. The atoms are treated as semidistinguishable using different cooperation numbers and representations of SU(3). We focus our analysis on the quantum phases of the system as well as the behavior of the most relevant observables near the phase transitions. The results are computed for all three possible configurations (Ξ , Λ , and V ) of the three-level atoms.

Spin-dependent transport through an interacting quantum dot.

PubMed

Zhang, Ping; Xue, Qi-Kun; Wang, Yupeng; Xie, X C

2002-12-31

We study the nonequilibrium spin transport through a quantum dot coupled to the magnetic electrodes. A formula for the spin-dependent current is obtained and is applied to discuss the linear conductance and magnetoresistance in the interacting regime. We show that the Kondo resonance and the correlation-induced spin splitting of the dot levels may be systematically controlled by internal magnetization in the electrodes. As a result, when the electrodes are in parallel magnetic configuration, the linear conductance is characterized by two spin-resolved peaks. Furthermore, the presence of the spin-flip process in the dot splits the Kondo resonance into three peaks.

Switching between attractive and repulsive Coulomb-interaction-mediated drag in an ambipolar GaAs/AlGaAs bilayer device

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

Zheng, B.; Croxall, A. F.; Waldie, J., E-mail: jw353@cam.ac.uk

2016-02-08

We present measurements of Coulomb drag in an ambipolar GaAs/AlGaAs double quantum well structure that can be configured as both an electron-hole bilayer and a hole-hole bilayer, with an insulating barrier of only 10 nm between the two quantum wells. Coulomb drag resistivity is a direct measure of the strength of interlayer particle-particle interactions. We explore the strongly interacting regime of low carrier densities (2D interaction parameter r{sub s} up to 14). Our ambipolar device design allows a comparison between the effects of the attractive electron-hole and repulsive hole-hole interactions and also shows the effects of the different effective masses ofmore » electrons and holes in GaAs.« less

Impact of nonlinear effective interactions on group field theory quantum gravity condensates

NASA Astrophysics Data System (ADS)

Pithis, Andreas G. A.; Sakellariadou, Mairi; Tomov, Petar

2016-09-01

We present the numerical analysis of effectively interacting group field theory models in the context of the group field theory quantum gravity condensate analog of the Gross-Pitaevskii equation for real Bose-Einstein condensates including combinatorially local interaction terms. Thus, we go beyond the usually considered construction for free models. More precisely, considering such interactions in a weak regime, we find solutions for which the expectation value of the number operator N is finite, as in the free case. When tuning the interaction to the strongly nonlinear regime, however, we obtain solutions for which N grows and eventually blows up, which is reminiscent of what one observes for real Bose-Einstein condensates, where a strong interaction regime can only be realized at high density. This behavior suggests the breakdown of the Bogoliubov ansatz for quantum gravity condensates and the need for non-Fock representations to describe the system when the condensate constituents are strongly correlated. Furthermore, we study the expectation values of certain geometric operators imported from loop quantum gravity in the free and interacting cases. In particular, computing solutions around the nontrivial minima of the interaction potentials, one finds, already in the weakly interacting case, a nonvanishing condensate population for which the spectra are dominated by the lowest nontrivial configuration of the quantum geometry. This result indicates that the condensate may indeed consist of many smallest building blocks giving rise to an effectively continuous geometry, thus suggesting the interpretation of the condensate phase to correspond to a geometric phase.

Invited Article: Autonomous assembly of atomically perfect nanostructures using a scanning tunneling microscope.

PubMed

Celotta, Robert J; Balakirsky, Stephen B; Fein, Aaron P; Hess, Frank M; Rutter, Gregory M; Stroscio, Joseph A

2014-12-01

A major goal of nanotechnology is to develop the capability to arrange matter at will by placing individual atoms at desired locations in a predetermined configuration to build a nanostructure with specific properties or function. The scanning tunneling microscope has demonstrated the ability to arrange the basic building blocks of matter, single atoms, in two-dimensional configurations. An array of various nanostructures has been assembled, which display the quantum mechanics of quantum confined geometries. The level of human interaction needed to physically locate the atom and bring it to the desired location limits this atom assembly technology. Here we report the use of autonomous atom assembly via path planning technology; this allows atomically perfect nanostructures to be assembled without the need for human intervention, resulting in precise constructions in shorter times. We demonstrate autonomous assembly by assembling various quantum confinement geometries using atoms and molecules and describe the benefits of this approach.

Transport electron through a quantum wire by side-attached asymmetric quantum-dot rings

NASA Astrophysics Data System (ADS)

Rostami, A.; Zabihi, S.; Rasooli S., H.; Seyyedi, S. K.

2011-12-01

The electronic conductance at zero temperature through a quantum wire with side-attached asymmetric quantum ring (as a scatter system) is theoretically studied using the non-interacting Anderson tunneling Hamiltonian method. We show that the asymmetric configuration of QD- scatter system strongly impresses the amplitude and spectrum of quantum wire nanostructure transmission characteristics. It is shown that whenever the balanced number of quantum dots in two rings is substituted by unbalanced scheme, the number of forbidden mini-bands in quantum wire conductance increases and QW-nanostructure electronic conductance contains rich spectral properties due to appearance of the new anti-resonance and resonance points in spectrum. Considering the suitable gap between nano-rings can strengthen the amplitude of new resonant peaks in the QW conductance spectrum. The proposed asymmetric quantum ring scatter system idea in this paper opens a new insight on designing quantum wire nano structure for given electronic conductance.

Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

NASA Astrophysics Data System (ADS)

Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

2017-03-01

The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Nanoscale solid-state quantum computing

NASA Astrophysics Data System (ADS)

Ardavan, A.; Austwick, M.; Benjamin, S.C.; Briggs, G.A.D.; Dennis, T.J.S.; Ferguson, A.; Hasko, D.G.; Kanai, M.; Khlobystov, A.N.; Lovett, B.W.; Morley, G.W.; Oliver, R.A.; Pettifor, D.G.; Porfyrakis, K.; Reina, J.H.; Rice, J.H.; Smith, J.D.; Taylor, R.A.; Williams, D.A.; Adelmann, C.; Mariette, H.; Hamers, R.J.

2003-07-01

Most experts agree that it is too early to say how quantum computers will eventually be built, and several nanoscale solid-state schemes are being implemented in a range of materials. Nanofabricated quantum dots can be made in designer configurations, with established technology for controlling interactions and for reading out results. Epitaxial quantum dots can be grown in vertical arrays in semiconductors, and ultrafast optical techniques are available for controlling and measuring their excitations. Single-walled carbon nanotubes can be used for molecular self-assembly of endohedral fullerenes, which can embody quantum information in the electron spin. The challenges of individual addressing in such tiny structures could rapidly become intractable with increasing numbers of qubits, but these schemes are amenable to global addressing methods for computation.

Influence of the quantum dot geometry on p -shell transitions in differently charged quantum dots

NASA Astrophysics Data System (ADS)

Holtkemper, M.; Reiter, D. E.; Kuhn, T.

2018-02-01

Absorption spectra of neutral, negatively, and positively charged semiconductor quantum dots are studied theoretically. We provide an overview of the main energetic structure around the p -shell transitions, including the influence of nearby nominally dark states. Based on the envelope function approximation, we treat the four-band Luttinger theory as well as the direct and short-range exchange Coulomb interactions within a configuration interaction approach. The quantum dot confinement is approximated by an anisotropic harmonic potential. We present a detailed investigation of state mixing and correlations mediated by the individual interactions. Differences and similarities between the differently charged quantum dots are highlighted. Especially large differences between negatively and positively charged quantum dots become evident. We present a visualization of energetic shifts and state mixtures due to changes in size, in-plane asymmetry, and aspect ratio. Thereby we provide a better understanding of the experimentally hard to access question of quantum dot geometry effects. Our findings show a method to determine the in-plane asymmetry from photoluminescence excitation spectra. Furthermore, we supply basic knowledge for tailoring the strength of certain state mixtures or the energetic order of particular excited states via changes of the shape of the quantum dot. Such knowledge builds the basis to find the optimal QD geometry for possible applications and experiments using excited states.

Device and Method of Scintillating Quantum Dots for Radiation Imaging

NASA Technical Reports Server (NTRS)

Burke, Eric R. (Inventor); DeHaven, Stanton L. (Inventor); Williams, Phillip A. (Inventor)

2017-01-01

A radiation imaging device includes a radiation source and a micro structured detector comprising a material defining a surface that faces the radiation source. The material includes a plurality of discreet cavities having openings in the surface. The detector also includes a plurality of quantum dots disclosed in the cavities. The quantum dots are configured to interact with radiation from the radiation source, and to emit visible photons that indicate the presence of radiation. A digital camera and optics may be used to capture images formed by the detector in response to exposure to radiation.

Full Configuration Interaction Quantum Monte Carlo and Diffusion Monte Carlo: A Comparative Study of the 3D Homogeneous Electron Gas

NASA Astrophysics Data System (ADS)

Shepherd, James J.; López Ríos, Pablo; Needs, Richard J.; Drummond, Neil D.; Mohr, Jennifer A.-F.; Booth, George H.; Grüneis, Andreas; Kresse, Georg; Alavi, Ali

2013-03-01

Full configuration interaction quantum Monte Carlo1 (FCIQMC) and its initiator adaptation2 allow for exact solutions to the Schrödinger equation to be obtained within a finite-basis wavefunction ansatz. In this talk, we explore an application of FCIQMC to the homogeneous electron gas (HEG). In particular we use these exact finite-basis energies to compare with approximate quantum chemical calculations from the VASP code3. After removing the basis set incompleteness error by extrapolation4,5, we compare our energies with state-of-the-art diffusion Monte Carlo calculations from the CASINO package6. Using a combined approach of the two quantum Monte Carlo methods, we present the highest-accuracy thermodynamic (infinite-particle) limit energies for the HEG achieved to date. 1 G. H. Booth, A. Thom, and A. Alavi, J. Chem. Phys. 131, 054106 (2009). 2 D. Cleland, G. H. Booth, and A. Alavi, J. Chem. Phys. 132, 041103 (2010). 3 www.vasp.at (2012). 4 J. J. Shepherd, A. Grüneis, G. H. Booth, G. Kresse, and A. Alavi, Phys. Rev. B. 86, 035111 (2012). 5 J. J. Shepherd, G. H. Booth, and A. Alavi, J. Chem. Phys. 136, 244101 (2012). 6 R. Needs, M. Towler, N. Drummond, and P. L. Ríos, J. Phys.: Condensed Matter 22, 023201 (2010).

CNOT sequences for heterogeneous spin qubit architectures in a noisy environment

NASA Astrophysics Data System (ADS)

Ferraro, Elena; Fanciulli, Marco; de Michielis, Marco

Explicit CNOT gate sequences for two-qubits mixed architectures are presented in view of applications for large-scale quantum computation. Different kinds of coded spin qubits are combined allowing indeed the favorable physical properties of each to be employed. The building blocks for such composite systems are qubit architectures based on the electronic spin in electrostatically defined semiconductor quantum dots. They are the single quantum dot spin qubit, the double quantum dot singlet-triplet qubit and the double quantum dot hybrid qubit. The effective Hamiltonian models expressed by only exchange interactions between pair of electrons are exploited in different geometrical configurations. A numerical genetic algorithm that takes into account the realistic physical parameters involved is adopted. Gate operations are addressed by modulating the tunneling barriers and the energy offsets between different couple of quantum dots. Gate infidelities are calculated considering limitations due to unideal control of gate sequence pulses, hyperfine interaction and unwanted charge coupling. Second affiliation: Dipartimento di Scienza dei Materiali, University of Milano Bicocca, Via R. Cozzi, 55, 20126 Milano, Italy.

Excitonic fine-structure splitting in telecom-wavelength InAs/GaAs quantum dots: Statistical distribution and height-dependence

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

Goldmann, Elias, E-mail: goldmann@itp.uni-bremen.de; Barthel, Stefan; Florian, Matthias

The variation of the excitonic fine-structure splitting is studied for semiconductor quantum dots under the influence of a strain-reducing layer, utilized to shift the emission wavelength of the excitonic transition into the telecom-wavelength regime of 1.3–1.5 μm. By means of a sp{sup 3}s{sup *}-tight-binding model and configuration interaction, we calculate wavelength shifts and fine-structure splittings for various quantum dot geometries. We find the splittings remaining small and even decreasing with strain-reducing layer composition for quantum dots with large height. Combined with an observed increased emission efficiency, the applicability for generation of entanglement photons is persistent.

Tunable Stable Levitation Based on Casimir Interaction between Nanostructures

NASA Astrophysics Data System (ADS)

Liu, Xianglei; Zhang, Zhuomin M.

2016-03-01

Quantum levitation enabled by repulsive Casimir force has been desirable due to the potential exciting applications in passive-suspension devices and frictionless bearings. In this paper, dynamically tunable stable levitation is theoretically demonstrated based on the configuration of dissimilar gratings separated by an intervening fluid using exact scattering theory. The levitation position is insensitive to temperature variations and can be actively tuned by adjusting the lateral displacement between the two gratings. This work investigates the possibility of applying quantum Casimir interactions into macroscopic mechanical devices working in a noncontact and low-friction environment for controlling the position or transducing lateral movement into vertical displacement at the nanoscale.

Spin-dependent thermoelectric effect and spin battery mechanism in triple quantum dots with Rashba spin-orbital interaction

NASA Astrophysics Data System (ADS)

Xu, Wei-Ping; Zhang, Yu-Ying; Wang, Qiang; Nie, Yi-Hang

2016-11-01

We have studied spin-dependent thermoelectric transport through parallel triple quantum dots with Rashba spin-orbital interaction (RSOI) embedded in an Aharonov-Bohm interferometer connected symmetrically to leads using nonequilibrium Green’s function method in the linear response regime. Under the appropriate configuration of magnetic flux phase and RSOI phase, the spin figure of merit can be enhanced and is even larger than the charge figure of merit. In particular, the charge and spin thermopowers as functions of both the magnetic flux phase and the RSOI phase present quadruple-peak structures in the contour graphs. For some specific configuration of the two phases, the device can provide a mechanism that converts heat into a spin voltage when the charge thermopower vanishes while the spin thermopower is not zero, which is useful in realizing the thermal spin battery and inducing a pure spin current in the device. Project supported by the National Natural Science Foundation of China (Grant Nos. 11274208 and 11447170).

New Advancements in the Study of the Uniform Electron Gas with Full Configuration Interaction Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Ruggeri, Michele; Luo, Hongjun; Alavi, Ali

Full Configuration Interaction Quantum Monte Carlo (FCIQMC) is able to give remarkably accurate results in the study of atoms and molecules. The study of the uniform electron gas (UEG) on the other hand has proven to be much harder, particularly in the low density regime. The source of this difficulty comes from the strong interparticle correlations that arise at low density, and essentially forbid the study of the electron gas in proximity of Wigner crystallization. We extend a previous study on the three dimensional electron gas computing the energy of a fully polarized gas for N=27 electrons at high and medium density (rS = 0 . 5 to 5 . 0). We show that even when dealing with a polarized UEG the computational cost of the study of systems with rS > 5 . 0 is prohibitive; in order to deal with correlations and to extend the density range that to be studied we introduce a basis of localized states and an effective transcorrelated Hamiltonian.

A new approach to barrier-top fission dynamics

NASA Astrophysics Data System (ADS)

Bertsch, G. F.; Mehlhaff, J. M.

2016-06-01

We proposed a calculational framework for describing induced fission that avoids the Bohr-Wheeler assumption of well-defined fission channels. The building blocks of our approach are configurations that form a discrete, orthogonal basis and can be characterized by both energy and shape. The dynamics is to be determined by interaction matrix elements between the states rather than by a Hill-Wheeler construction of a collective coordinate. Within our approach, several simple limits can be seen: diffusion; quantized conductance; and ordinary decay through channels. The specific proposal for the discrete basis is to use the Kπ quantum numbers of the axially symmetric Hartree-Fock approximation to generate the configurations. Fission paths would be determined by hopping from configuration to configuration via the residual interaction. We show as an example the configurations needed to describe a fictitious fission decay 32S → 16 O + 16 O. We also examine the geometry of the path for fission of 236U, measuring distances by the number of jumps needed to go to a new Kπ partition.

Tunnel magnetoresistance for coherent spin-flip processes on an interacting quantum dot.

PubMed

Rudziński, W

2009-01-28

Spin-polarized electronic tunneling through a quantum dot coupled to ferromagnetic electrodes is investigated within a nonequilibrium Green function approach. An interplay between coherent intradot spin-flip transitions, tunneling processes and Coulomb correlations on the dot is studied for current-voltage characteristics of the tunneling junction in parallel and antiparallel magnetic configurations of the leads. It is found that due to the spin-flip processes electric current in the antiparallel configuration tends to the current characteristics in the parallel configuration, thus giving rise to suppression of the tunnel magnetoresistance (TMR) between the threshold bias voltages at which the dot energy level becomes active in tunneling. Also, the effect of a negative differential conductance in symmetrical junctions, splitting of the conductance peaks, significant modulation of TMR peaks around the threshold bias voltages as well as suppression of the diode-like behavior in asymmetrical junctions is discussed in the context of coherent intradot spin-flip transitions. It is also shown that TMR may be inverted at selected gate voltages, which qualitatively reproduces the TMR behavior predicted recently for temperatures in the Kondo regime, and observed experimentally beyond the Kondo regime for a semiconductor InAs quantum dot coupled to nickel electrodes.

Observation of Mollow Triplets with Tunable Interactions in Double Lambda Systems of Individual Hole Spins

NASA Astrophysics Data System (ADS)

Lagoudakis, K. G.; Fischer, K. A.; Sarmiento, T.; McMahon, P. L.; Radulaski, M.; Zhang, J. L.; Kelaita, Y.; Dory, C.; Müller, K.; Vučković, J.

2017-01-01

Although individual spins in quantum dots have been studied extensively as qubits, their investigation under strong resonant driving in the scope of accessing Mollow physics is still an open question. Here, we have grown high quality positively charged quantum dots embedded in a planar microcavity that enable enhanced light-matter interactions. Under a strong magnetic field in the Voigt configuration, individual positively charged quantum dots provide a double lambda level structure. Using a combination of above-band and resonant excitation, we observe the formation of Mollow triplets on all optical transitions. We find that when the strong resonant drive power is used to tune the Mollow-triplet lines through each other, we observe anticrossings. We also demonstrate that the interaction that gives rise to the anticrossings can be controlled in strength by tuning the polarization of the resonant laser drive. Quantum-optical modeling of our system fully captures the experimentally observed spectra and provides insight on the complicated level structure that results from the strong driving of the double lambda system.

Dynamics of tripartite quantum entanglement and discord under a classical dephasing random telegraph noise

NASA Astrophysics Data System (ADS)

Kenfack, Lionel Tenemeza; Tchoffo, Martin; Fai, Lukong Cornelius

2017-02-01

We address the dynamics of quantum correlations, including entanglement and quantum discord of a three-qubit system interacting with a classical pure dephasing random telegraph noise (RTN) in three different physical environmental situations (independent, mixed and common environments). Two initial entangled states of the system are examined, namely the Greenberger-Horne-Zeilinger (GHZ)- and Werner (W)-type states. The classical noise is introduced as a stochastic process affecting the energy splitting of the qubits. With the help of suitable measures of tripartite entanglement (entanglement witnesses and lower bound of concurrence) and quantum discord (global quantum discord and quantum dissension), we show that the evolution of quantum correlations is not only affected by the type of the system-environment interaction but also by the input configuration of the qubits and the memory properties of the environmental noise. Indeed, depending on the memory properties of the environmental noise and the initial state considered, we find that independent, common and mixed environments can play opposite roles in preserving quantum correlations, and that the sudden death and revival phenomena or the survival of quantum correlations may occur. On the other hand, we also show that the W-type state has strong dynamics under this noise than the GHZ-type ones.

Three-terminal quantum-dot thermal management devices

NASA Astrophysics Data System (ADS)

Zhang, Yanchao; Zhang, Xin; Ye, Zhuolin; Lin, Guoxing; Chen, Jincan

2017-04-01

We theoretically demonstrate that the heat flows can be manipulated by designing a three-terminal quantum-dot system consisting of three Coulomb-coupled quantum dots connected to respective reservoirs. In this structure, the electron transport between the quantum dots is forbidden, but the heat transport is allowed by the Coulomb interaction to transmit heat between the reservoirs with a temperature difference. We show that such a system is capable of performing thermal management operations, such as heat flow swap, thermal switch, and heat path selector. An important thermal rectifier, i.e., a thermal diode, can be implemented separately in two different paths. The asymmetric configuration of a quantum-dot system is a necessary condition for thermal management operations in practical applications. These results should have important implications in providing the design principle for quantum-dot thermal management devices and may open up potential applications for the thermal management of quantum-dot systems at the nanoscale.

Classical-processing and quantum-processing signal separation methods for qubit uncoupling

NASA Astrophysics Data System (ADS)

Deville, Yannick; Deville, Alain

2012-12-01

The Blind Source Separation problem consists in estimating a set of unknown source signals from their measured combinations. It was only investigated in a non-quantum framework up to now. We propose its first quantum extensions. We thus introduce the Quantum Source Separation field, investigating both its blind and non-blind configurations. More precisely, we show how to retrieve individual quantum bits (qubits) only from the global state resulting from their undesired coupling. We consider cylindrical-symmetry Heisenberg coupling, which e.g. occurs when two electron spins interact through exchange. We first propose several qubit uncoupling methods which typically measure repeatedly the coupled quantum states resulting from individual qubits preparations, and which then statistically process the classical data provided by these measurements. Numerical tests prove the effectiveness of these methods. We then derive a combination of quantum gates for performing qubit uncoupling, thus avoiding repeated qubit preparations and irreversible measurements.

Transient quantum coherent effects in the acetylene-filled hollow-core photonic crystal fiber

NASA Astrophysics Data System (ADS)

Stepanov, S.; Rodríguez Casillas, N.; Ocegueda Miramontes, M.; Hernández Hernández, E.

2017-02-01

Low-pressure acetylene in the hollow-core photonic crystal structure fibers is an excellent medium for the room-temperature investigation of the coherent quantum effects in communication wavelength region. Pulsed excitation enables observation of new coherent phenomena like optical nutation or photon echo and evaluation of important temporal characteristics of the light-molecule interactions. We also report original experimental results on the pulsed excitation of the electromagnetically induced transparency in co- and counter-propagation configurations.

Invited Article: Autonomous assembly of atomically perfect nanostructures using a scanning tunneling microscope

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

Celotta, Robert J., E-mail: robert.celotta@nist.gov, E-mail: joseph.stroscio@nist.gov; Hess, Frank M.; Rutter, Gregory M.

2014-12-15

A major goal of nanotechnology is to develop the capability to arrange matter at will by placing individual atoms at desired locations in a predetermined configuration to build a nanostructure with specific properties or function. The scanning tunneling microscope has demonstrated the ability to arrange the basic building blocks of matter, single atoms, in two-dimensional configurations. An array of various nanostructures has been assembled, which display the quantum mechanics of quantum confined geometries. The level of human interaction needed to physically locate the atom and bring it to the desired location limits this atom assembly technology. Here we report themore » use of autonomous atom assembly via path planning technology; this allows atomically perfect nanostructures to be assembled without the need for human intervention, resulting in precise constructions in shorter times. We demonstrate autonomous assembly by assembling various quantum confinement geometries using atoms and molecules and describe the benefits of this approach.« less

Dye-sensitization of CdS nano-cage - A density functional theory approach

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

Jain, Kalpna; Singh, Kh. S.; Kishor, Shyam

2016-05-23

Quantum dots a few nanometer in size exhibit unique properties in comparison to bulk due to quantum confinement. Their properties can be tuned according to their sizes. Dye sensitized quantum dot (DSQD) solar cells are based on the same principle with surface dangling bonds as a challenge. Researches have shown the existence and stability of nano-cages which are assembled such as to minimize the surface dangling bonds and hence maximize stability. Here, we report a first principles DFT study of optical and electronic properties of CdS-cage (Cd{sub 34}S{sub 34}) sensitized with nkx-2388 dye in three different geometric configurations of dyemore » attachment. A significant distortion is found to occur in the geometric structure of the cage when it interacts strongly with the dye. The relative positioning of dye and cage energy levels is found to be different in different configurations. The absorption spectrum has been analyzed with the help of natural transition orbitals (NTO).« less

Perfect Spin Filter by Periodic Drive of a Ferromagnetic Quantum Barrier

NASA Astrophysics Data System (ADS)

Thuberg, Daniel; Muñoz, Enrique; Eggert, Sebastian; Reyes, Sebastián A.

2017-12-01

We consider the problem of particle tunneling through a periodically driven ferromagnetic quantum barrier connected to two leads. The barrier is modeled by an impurity site representing a ferromagnetic layer or a quantum dot in a tight-binding Hamiltonian with a local magnetic field and an ac-driven potential, which is solved using the Floquet formalism. The repulsive interactions in the quantum barrier are also taken into account. Our results show that the time-periodic potential causes sharp resonances of perfect transmission and reflection, which can be tuned by the frequency, the driving strength, and the magnetic field. We demonstrate that a device based on this configuration could act as a highly tunable spin valve for spintronic applications.

Adiabatic Quantum Computation with Neutral Atoms

NASA Astrophysics Data System (ADS)

Biedermann, Grant

2013-03-01

We are implementing a new platform for adiabatic quantum computation (AQC)[2] 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,[3,4] 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. In collaboration with Lambert Parazzoli, Sandia National Laboratories; Aaron Hankin, Center for Quantum Information and Control (CQuIC), University of New Mexico; James Chin-Wen Chou, Yuan-Yu Jau, Peter Schwindt, Cort Johnson, and George Burns, Sandia National Laboratories; Tyler Keating, Krittika Goyal, and Ivan Deutsch, Center for Quantum Information and Control (CQuIC), University of New Mexico; and Andrew Landahl, Sandia National Laboratories. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories

Cavity QED implementation of non-adiabatic holonomies for universal quantum gates in decoherence-free subspaces with nitrogen-vacancy centers.

PubMed

Zhou, Jian; Yu, Wei-Can; Gao, Yu-Mei; Xue, Zheng-Yuan

2015-06-01

A cavity QED implementation of the non-adiabatic holonomic quantum computation in decoherence-free subspaces is proposed with nitrogen-vacancy centers coupled commonly to the whispering-gallery mode of a microsphere cavity, where a universal set of quantum gates can be realized on the qubits. In our implementation, with the assistant of the appropriate driving fields, the quantum evolution is insensitive to the cavity field state, which is only virtually excited. The implemented non-adiabatic holonomies, utilizing optical transitions in the Λ type of three-level configuration of the nitrogen-vacancy centers, can be used to construct a universal set of quantum gates on the encoded logical qubits. Therefore, our scheme opens up the possibility of realizing universal holonomic quantum computation with cavity assisted interaction on solid-state spins characterized by long coherence times.

Frequency-encoded photonic qubits for scalable quantum information processing

DOE PAGES

Lukens, Joseph M.; Lougovski, Pavel

2016-12-21

Among the objectives for large-scale quantum computation is the quantum interconnect: a device that uses photons to interface qubits that otherwise could not interact. However, the current approaches require photons indistinguishable in frequency—a major challenge for systems experiencing different local environments or of different physical compositions altogether. Here, we develop an entirely new platform that actually exploits such frequency mismatch for processing quantum information. Labeled “spectral linear optical quantum computation” (spectral LOQC), our protocol offers favorable linear scaling of optical resources and enjoys an unprecedented degree of parallelism, as an arbitrary Ν-qubit quantum gate may be performed in parallel onmore » multiple Ν-qubit sets in the same linear optical device. Here, not only does spectral LOQC offer new potential for optical interconnects, but it also brings the ubiquitous technology of high-speed fiber optics to bear on photonic quantum information, making wavelength-configurable and robust optical quantum systems within reach.« less

Frequency-encoded photonic qubits for scalable quantum information processing

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

Lukens, Joseph M.; Lougovski, Pavel

Among the objectives for large-scale quantum computation is the quantum interconnect: a device that uses photons to interface qubits that otherwise could not interact. However, the current approaches require photons indistinguishable in frequency—a major challenge for systems experiencing different local environments or of different physical compositions altogether. Here, we develop an entirely new platform that actually exploits such frequency mismatch for processing quantum information. Labeled “spectral linear optical quantum computation” (spectral LOQC), our protocol offers favorable linear scaling of optical resources and enjoys an unprecedented degree of parallelism, as an arbitrary Ν-qubit quantum gate may be performed in parallel onmore » multiple Ν-qubit sets in the same linear optical device. Here, not only does spectral LOQC offer new potential for optical interconnects, but it also brings the ubiquitous technology of high-speed fiber optics to bear on photonic quantum information, making wavelength-configurable and robust optical quantum systems within reach.« less

Observation of Mollow Triplets with Tunable Interactions in Double Lambda Systems of Individual Hole Spins.

NASA Astrophysics Data System (ADS)

Lagoudakis, K. G.; Fischer, K. A.; Sarmiento, T.; McMahon, P. L.; Radulaski, M.; Zhang, J. L.; Kelaita, Y.; Dory, C.; Mueller, K. M.; Vuckovic, J.

Although individual spins in quantum dots have been extensively used as qubits, their investigation under strong resonant driving in view of accessing Mollow physics is still an open question. We have grown high quality positively charged quantum dots (QD) embedded in a planar microcavity that enable enhanced light matter interactions. Applying a strong magnetic field in the Voigt configuration, individual positively charged quantum dots provide a double lambda level structure. Using a combination of above band and resonant excitation, we observe the formation of Mollow triplets. We investigate the regime where the Mollow sideband splittings are equal to the Zeeman splitting; we observe strong interactions between the Mollow sidebands of the inner transitions and the outer transitions in the form of very clear anticrossings. We investigated these anticrossings and we were able to modify the observed anticrossing splittings on demand by rotating the polarization of the resonant laser. We also developed a quantum-optical model of our system that fully captures the experimentally observed spectra and provides insight on the complicated level structure that results from the strong driving of our positively charged quantum dot. The authors acknowledge financial support from the Army Research Office (Grant No. W911NF1310309) and support from the National Science Foundation, Division of Materials Research (Grant No. 1503759).

A well-scaling natural orbital theory

DOE PAGES

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-11-01

Here, we introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals ofmore » the oneparticle density matrix.« less

A well-scaling natural orbital theory

PubMed Central

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-01-01

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals of the one-particle density matrix. PMID:27803328

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

PubMed

Smith, Daniel G A; Burns, Lori A; Sirianni, Dominic A; Nascimento, Daniel R; Kumar, Ashutosh; James, Andrew M; Schriber, Jeffrey B; Zhang, Tianyuan; Zhang, Boyi; Abbott, Adam S; Berquist, Eric J; Lechner, Marvin H; Cunha, Leonardo A; Heide, Alexander G; Waldrop, Jonathan M; Takeshita, Tyler Y; Alenaizan, Asem; Neuhauser, Daniel; King, Rollin A; Simmonett, Andrew C; Turney, Justin M; Schaefer, Henry F; Evangelista, Francesco A; DePrince, A Eugene; Crawford, T Daniel; Patkowski, Konrad; Sherrill, C David

2018-06-11

Psi4NumPy demonstrates the use of efficient computational kernels from the open-source Psi4 program through the popular NumPy library for linear algebra in Python to facilitate the rapid development of clear, understandable Python computer code for new quantum chemical methods, while maintaining a relatively low execution time. Using these tools, reference implementations have been created for a number of methods, including self-consistent field (SCF), SCF response, many-body perturbation theory, coupled-cluster theory, configuration interaction, and symmetry-adapted perturbation theory. Furthermore, several reference codes have been integrated into Jupyter notebooks, allowing background, underlying theory, and formula information to be associated with the implementation. Psi4NumPy tools and associated reference implementations can lower the barrier for future development of quantum chemistry methods. These implementations also demonstrate the power of the hybrid C++/Python programming approach employed by the Psi4 program.

Probing 1D superlattices at the LaAlO3 / SrTiO3 interface

NASA Astrophysics Data System (ADS)

Briggeman, M.; Huang, M.; Tylan-Tyler, A.; Irvin, P.; Levy, J.; Lee, J.-W.; Lee, H.; Eom, C.-B.

Complex oxides and other quantum systems exhibit behavior that is currently too complex to be understood using analytic or computational methods. One approach is to use a configurable quantum system whose Hamiltonian can be mapped onto the system of interest. This approach, known as quantum simulation, requires a rich physical system whose quanta and interactions can be controlled precisely, at the level of single electrons and other degrees of freedom. Here we describe steps toward developing a quantum simulation platform, using the complex oxide heterostructure LaAlO3 / SrTiO3 , by creating quantum systems with features comparable to the mean spacing between electrons. This interface has strong, sign changing, gate-tunable electron-electron interactions that can strongly influence the quantum ground state. We explore the magnetotransport properties of 1D superlattices, where periodic modulation produces reproducible dispersive features not seen in control structures. The results of these experiments can be compared with effective 1D model Hamiltonians to bridge experiment and theory and enable quantum simulation of more complex systems. We gratefully acknowledge financial support from AFOSR (FA9550-12-1- 0057 (JL) and FA9550-12-1-0342 (CBE)), ONR N00014-15-1-2847 (JL), and NSF DMR-1234096 (CBE).

Suppression of Pauli Spin Blockade in Few Hole Laterally Gated Double Quantum Dots

NASA Astrophysics Data System (ADS)

Gaudreau, Louis; Bogan, Alex; Studenikin, Sergei; Korkusinski, Marek; Aers, Geof; Zawadzki, Piotr; Sachrajda, Andy; Tracy, Lisa; Reno, John; Hargett, Terry; National Research Council Team; Sandia Labs Team

Hole spins have attracted increasing attention as candidates for qubits in quantum information applications. The p-type character of their wavefunction leads to smaller hyperfine interaction with the nuclei resulting in longer coherence times. Additionally, strong spin-orbit interaction allows for enhanced all-electrical manipulation of spin qubit states. Single hole spins have been electrically studied in InSb and Si nanowire quantum dots, however, electrostatically confined hole spins in a 2D hole gas have thus far been limited to the many hole regime. In this talk we will present a full description of the two-hole spin spectrum in a lateral GaAs/AlGaAs double quantum. High-bias magneto-transport spectroscopy reveals all four states of the spectrum (singlet and triplets) in both the (1,1) and (2,0) configurations, essential for spin readout based on Pauli spin blockade. We show that spin-flip tunneling between dots is as strong as spin conserving tunneling, a consequence of the strong spin-orbit interaction. This suppresses the Pauli spin blockade. Our results suggest that alternate techniques for single hole spin qubit readout need to be explored.

Analysis of wavelength-dependent photoisomerization quantum yields in bilirubins by fitting two exciton absorption bands

NASA Astrophysics Data System (ADS)

Mazzoni, M.; Agati, G.; Troup, G. J.; Pratesi, R.

2003-09-01

The absorption spectra of bilirubins were deconvoluted by two Gaussian curves of equal width representing the exciton bands of the non-degenerate molecular system. The two bands were used to study the wavelength dependence of the (4Z, 15Z) rightarrow (4Z, 15E) configurational photoisomerization quantum yield of the bichromophoric bilirubin-IXalpha (BR-IX), the intrinsically asymmetric bile pigment associated with jaundice and the symmetrically substituted bilirubins (bilirubin-IIIalpha and mesobilirubin-XIIIalpha), when they are irradiated in aqueous solution bound to human serum albumin (HSA). The same study was performed for BR-IX in ammoniacal methanol solution (NH4OH/MeOH). The quantum yields of the configurational photoprocesses were fitted with a combination function of the two Gaussian bands normalized to the total absorption, using the proportionality coefficients and a scaling factor as parameters. The decrease of the (4Z, 15Z) rightarrow (4Z, 15E) quantum yield with increasing wavelength, which occurs for wavelengths longer than the most probable Franck-Condon transition of the molecule, did not result in a unique function of the exciton absorptions. In particular we found two ranges corresponding to different exciton interactions with different proportionality coefficients and scaling factors. The wavelength-dependent photoisomerization of bilirubins was described as an abrupt change in quantum yield as soon as the resulting excitation was strongly localized in each chromophore. The change was correlated to a variation of the interaction between the two chromophores when the short-wavelength exciton absorption became vanishingly small. With the help of the circular dichroism (CD) spectrum of BR-IX in HSA, a small band was resolved in the bilirubin absorption spectrum, delivering part of the energy required for the (4Z, 15Z) rightarrow (4Z, 15E) photoisomerization of the molecule.

A method to measure neutron polarization using P-even asymmetry of {gamma}-quantum emission in the neutron-nuclear interaction

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

Gledenov, Yu. M.; Nesvizhevsky, V. V.; Sedyshev, P. V.

2012-07-15

A new method to measure polarization of cold/thermal neutrons using P-even asymmetry in nuclear reactions induced by polarized neutrons is proposed. A scheme profiting from a large correlation of the neutron spin and the circular {gamma}-quantum polarization in the reaction (n, {gamma}) of polarized neutrons with nuclei is analyzed. This method could be used, for instance, to measure the neutron-beam polarization in experiments with frequently varying configuration. We show that high accuracy and reliability of measurements could be expected.

Quantum Monte Carlo Studies of Interaction-Induced Localization in Quantum Dots and Wires

NASA Astrophysics Data System (ADS)

Devrim Güçlü, A.

2009-03-01

We investigate interaction-induced localization of electrons in both quantum dots and inhomogeneous quantum wires using variational and diffusion quantum Monte Carlo methods. Quantum dots and wires are highly tunable systems that enable the study of the physics of strongly correlated electrons. With decreasing electronic density, interactions become stronger and electrons are expected to localize at their classical positions, as in Wigner crystallization in an infinite 2D system. (1) Dots: We show that the addition energy shows a clear progression from features associated with shell structure to those caused by commensurability of a Wigner crystal. This cross-over is, then, a signature of localization; it occurs near rs˜20. For higher values of rs, the configuration symmetry of the quantum dot becomes fully consistent with the classical ground state. (2) Wires: We study an inhomogeneous quasi-one-dimensional system -- a wire with two regions, one at low density and the other high. We find that strong localization occurs in the low density quantum point contact region as the gate potential is increased. The nature of the transition from high to low density depends on the density gradient -- if it is steep, a barrier develops between the two regions, causing Coulomb blockade effects. We find no evidence for ferromagnetic spin polarization for the range of parameters studied. The picture emerging here is in good agreement with the experimental measurements of tunneling between two wires. Collaborators: C. J. Umrigar (Cornell), Hong Jiang (Fritz Haber Institut), Amit Ghosal (IISER Calcutta), and H. U. Baranger (Duke).

Evaluation of atomic constants for optical radiation, volume 2

NASA Technical Reports Server (NTRS)

Kylstra, C. D.; Schneider, R. J.

1974-01-01

Various atomic constant for 23 elements from helium to mercury were computed and are presented in tables. The data given for each element start with the element name, its atomic number, its ionic state, and the designation and series limit for each parent configuration. This is followed by information on the energy level, parent configuration, and designation for each term available to the program. The matrix elements subtables are ordered by the sequence numbers, which represent the initial and final levels of the transitions. Each subtable gives the following: configuration of the core or parent, designation and energy level for the reference state, effective principal quantum number, energy of the series limit, value of the matrix element for the reference state interacting with itself, and sum of all of the dipole matrix elements listed in the subtable. Dipole and quadrupole interaction data are also given.

Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units.

PubMed

Fales, B Scott; Levine, Benjamin G

2015-10-13

Methods based on a full configuration interaction (FCI) expansion in an active space of orbitals are widely used for modeling chemical phenomena such as bond breaking, multiply excited states, and conical intersections in small-to-medium-sized molecules, but these phenomena occur in systems of all sizes. To scale such calculations up to the nanoscale, we have developed an implementation of FCI in which electron repulsion integral transformation and several of the more expensive steps in σ vector formation are performed on graphical processing unit (GPU) hardware. When applied to a 1.7 × 1.4 × 1.4 nm silicon nanoparticle (Si72H64) described with the polarized, all-electron 6-31G** basis set, our implementation can solve for the ground state of the 16-active-electron/16-active-orbital CASCI Hamiltonian (more than 100,000,000 configurations) in 39 min on a single NVidia K40 GPU.

Dislocation core structures of tungsten with dilute solute hydrogen

NASA Astrophysics Data System (ADS)

Wang, Yinan; Li, Qiulin; Li, Chengliang; Shu, Guogang; Xu, Ben; Liu, Wei

2017-12-01

In this paper, a combination of quantum mechanical and interatomic potential-based atomistic calculations are used to predict the core structures of screw and edge dislocations in tungsten in the presence of a particular concentration of hydrogen atoms. These configurations of the core structures are the results of two competing energies: the interaction between the partial dislocations and the corresponding generalized stacking fault energy in between the two partial dislocations, which are presented in this work. With this, we can precisely predict the configurations of the hydrogen-doped dislocation core structures.

On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States

NASA Technical Reports Server (NTRS)

Thuemmel, Helmar T.; Langhoff, Stephen (Technical Monitor)

1996-01-01

Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.

Hybrid annealing: Coupling a quantum simulator to a classical computer

NASA Astrophysics Data System (ADS)

Graß, Tobias; Lewenstein, Maciej

2017-05-01

Finding the global minimum in a rugged potential landscape is a computationally hard task, often equivalent to relevant optimization problems. Annealing strategies, either classical or quantum, explore the configuration space by evolving the system under the influence of thermal or quantum fluctuations. The thermal annealing dynamics can rapidly freeze the system into a low-energy configuration, and it can be simulated well on a classical computer, but it easily gets stuck in local minima. Quantum annealing, on the other hand, can be guaranteed to find the true ground state and can be implemented in modern quantum simulators; however, quantum adiabatic schemes become prohibitively slow in the presence of quasidegeneracies. Here, we propose a strategy which combines ideas from simulated annealing and quantum annealing. In such a hybrid algorithm, the outcome of a quantum simulator is processed on a classical device. While the quantum simulator explores the configuration space by repeatedly applying quantum fluctuations and performing projective measurements, the classical computer evaluates each configuration and enforces a lowering of the energy. We have simulated this algorithm for small instances of the random energy model, showing that it potentially outperforms both simulated thermal annealing and adiabatic quantum annealing. It becomes most efficient for problems involving many quasidegenerate ground states.

Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets.

PubMed

Boese, A Daniel; Forbert, Harald; Masia, Marco; Tekin, Adem; Marx, Dominik; Jansen, Georg

2011-08-28

The infrared spectroscopy of molecules, complexes, and molecular aggregates dissolved in superfluid helium clusters, commonly called HElium NanoDroplet Isolation (HENDI) spectroscopy, is an established, powerful experimental technique for extracting high resolution ro-vibrational spectra at ultra-low temperatures. Realistic quantum simulations of such systems, in particular in cases where the solute is undergoing a chemical reaction, require accurate solute-helium potentials which are also simple enough to be efficiently evaluated over the vast number of steps required in typical Monte Carlo or molecular dynamics sampling. This precludes using global potential energy surfaces as often parameterized for small complexes in the realm of high-resolution spectroscopic investigations that, in view of the computational effort imposed, are focused on the intermolecular interaction of rigid molecules with helium. Simple Lennard-Jones-like pair potentials, on the other hand, fall short in providing the required flexibility and accuracy in order to account for chemical reactions of the solute molecule. Here, a general scheme of constructing sufficiently accurate site-site potentials for use in typical quantum simulations is presented. This scheme employs atom-based grids, accounts for local and global minima, and is applied to the special case of a HCl(H(2)O)(4) cluster solvated by helium. As a first step, accurate interaction energies of a helium atom with a set of representative configurations sampled from a trajectory following the dissociation of the HCl(H(2)O)(4) cluster were computed using an efficient combination of density functional theory and symmetry-adapted perturbation theory, i.e. the DFT-SAPT approach. For each of the sampled cluster configurations, a helium atom was placed at several hundred positions distributed in space, leading to an overall number of about 400,000 such quantum chemical calculations. The resulting total interaction energies, decomposed into several energetic contributions, served to fit a site-site potential, where the sites are located at the atomic positions and, additionally, pseudo-sites are distributed along the lines joining pairs of atom sites within the molecular cluster. This approach ensures that this solute-helium potential is able to describe both undissociated molecular and dissociated (zwitter-) ionic configurations, as well as the interconnecting reaction pathway without re-adjusting partial charges or other parameters depending on the particular configuration. Test calculations of the larger HCl(H(2)O)(5) cluster interacting with helium demonstrate the transferability of the derived site-site potential. This specific potential can be readily used in quantum simulations of such HCl/water clusters in bulk helium or helium nanodroplets, whereas the underlying construction procedure can be generalized to other molecular solutes in other atomic solvents such as those encountered in rare gas matrix isolation spectroscopy.

Negative muon chemistry: the quantum muon effect and the finite nuclear mass effect.

PubMed

Posada, Edwin; Moncada, Félix; Reyes, Andrés

2014-10-09

The any-particle molecular orbital method at the full configuration interaction level has been employed to study atoms in which one electron has been replaced by a negative muon. In this approach electrons and muons are described as quantum waves. A scheme has been proposed to discriminate nuclear mass and quantum muon effects on chemical properties of muonic and regular atoms. This study reveals that the differences in the ionization potentials of isoelectronic muonic atoms and regular atoms are of the order of millielectronvolts. For the valence ionizations of muonic helium and muonic lithium the nuclear mass effects are more important. On the other hand, for 1s ionizations of muonic atoms heavier than beryllium, the quantum muon effects are more important. In addition, this study presents an assessment of the nuclear mass and quantum muon effects on the barrier of Heμ + H2 reaction.

Quantum control on entangled bipartite qubits

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

Delgado, Francisco

2010-04-15

Ising interactions between qubits can produce distortion on entangled pairs generated for engineering purposes (e.g., for quantum computation or quantum cryptography). The presence of parasite magnetic fields destroys or alters the expected behavior for which it was intended. In addition, these pairs are generated with some dispersion in their original configuration, so their discrimination is necessary for applications. Nevertheless, discrimination should be made after Ising distortion. Quantum control helps in both problems; making some projective measurements upon the pair to decide the original state to replace it, or just trying to reconstruct it using some procedures which do not altermore » their quantum nature. Results about the performance of these procedures are reported. First, we will work with pure systems studying restrictions and advantages. Then, we will extend these operations for mixed states generated with uncertainty in the time of distortion, correcting them by assuming the control prescriptions for the most probable one.« less

Dynamics and manipulation of entanglement in coupled harmonic systems with many degrees of freedom

NASA Astrophysics Data System (ADS)

Plenio, M. B.; Hartley, J.; Eisert, J.

2004-03-01

We study the entanglement dynamics of a system consisting of a large number of coupled harmonic oscillators in various configurations and for different types of nearest-neighbour interactions. For a one-dimensional chain, we provide compact analytical solutions and approximations to the dynamical evolution of the entanglement between spatially separated oscillators. Key properties such as the speed of entanglement propagation, the maximum amount of transferred entanglement and the efficiency for the entanglement transfer are computed. For harmonic oscillators coupled by springs, corresponding to a phonon model, we observe a non-monotonic transfer efficiency in the initially prepared amount of entanglement, i.e. an intermediate amount of initial entanglement is transferred with the highest efficiency. In contrast, within the framework of the rotating-wave approximation (as appropriate, e.g. in quantum optical settings) one finds a monotonic behaviour. We also study geometrical configurations that are analogous to quantum optical devices (such as beamsplitters and interferometers) and observe characteristic differences when initially thermal or squeezed states are entering these devices. We show that these devices may be switched on and off by changing the properties of an individual oscillator. They may therefore be used as building blocks of large fixed and pre-fabricated but programmable structures in which quantum information is manipulated through propagation. We discuss briefly possible experimental realizations of systems of interacting harmonic oscillators in which these effects may be confirmed experimentally.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-03-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-06-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Observation of two-orbital spin-exchange interactions with ultracold SU(N)-symmetric fermions

NASA Astrophysics Data System (ADS)

Scazza, F.; Hofrichter, C.; Höfer, M.; de Groot, P. C.; Bloch, I.; Fölling, S.

2014-10-01

Spin-exchanging interactions govern the properties of strongly correlated electron systems such as many magnetic materials. When orbital degrees of freedom are present, spin exchange between different orbitals often dominates, leading to the Kondo effect, heavy fermion behaviour or magnetic ordering. Ultracold ytterbium or alkaline-earth ensembles have attracted much recent interest as model systems for these effects, with two (meta-) stable electronic configurations representing independent orbitals. We report the observation of spin-exchanging contact interactions in a two-orbital SU(N)-symmetric quantum gas realized with fermionic 173Yb. We find strong inter-orbital spin exchange by spectroscopic characterization of all interaction channels and demonstrate SU(N = 6) symmetry within our measurement precision. The spin-exchange process is also directly observed through the dynamic equilibration of spin imbalances between ensembles in separate orbitals. The realization of an SU(N)-symmetric two-orbital Hubbard Hamiltonian opens the route to quantum simulations with extended symmetries and with orbital magnetic interactions, such as the Kondo lattice model.

Charge and spin control of ultrafast electron and hole dynamics in single CdSe/ZnSe quantum dots

NASA Astrophysics Data System (ADS)

Hinz, C.; Gumbsheimer, P.; Traum, C.; Holtkemper, M.; Bauer, B.; Haase, J.; Mahapatra, S.; Frey, A.; Brunner, K.; Reiter, D. E.; Kuhn, T.; Seletskiy, D. V.; Leitenstorfer, A.

2018-01-01

We study the dynamics of photoexcited electrons and holes in single negatively charged CdSe/ZnSe quantum dots with two-color femtosecond pump-probe spectroscopy. An initial characterization of the energy level structure is performed at low temperatures and magnetic fields of up to 5 T. Emission and absorption resonances are assigned to specific transitions between few-fermion states by a theoretical model based on a configuration interaction approach. To analyze the dynamics of individual charge carriers, we initialize the quantum system into excited trion states with defined energy and spin. Subsequently, the time-dependent occupation of the trion ground state is monitored by spectrally resolved differential transmission measurements. We observe subpicosecond dynamics for a hole excited to the D shell. The energy dependence of this D -to-S shell intraband transition is investigated in quantum dots of varying size. Excitation of an electron-hole pair in the respective p shells leads to the formation of singlet and triplet spin configurations. Relaxation of the p -shell singlet is observed to occur on a time scale of a few picoseconds. Pumping of p -shell triplet transitions opens up two pathways with distinctly different scattering times. These processes are shown to be governed by the mixing of singlet and triplet states due to exchange interactions enabling simultaneous electron and hole spin flips. To isolate the relaxation channels, we align the spin of the residual electron by a magnetic field and employ laser pulses of defined helicity. This step provides ultrafast preparation of a fully inverted trion ground state of the quantum dot with near unity probability, enabling deterministic addition of a single photon to the probe pulse. Therefore our experiments represent a significant step towards using single quantum emitters with well-controled inversion to manipulate the photon statistics of ultrafast light pulses.

A molecular model for ice nucleation and growth, attachment 1

NASA Technical Reports Server (NTRS)

Plummer, P. L. M.

1981-01-01

The quantum mechanical technique is used to study ionic, configurational, and impurity defects in the ice surface. In addition to static calculations of the energetics of the water monomer-ice surface interactions, molecular dynamics studies were initiated. The calculations of the monomer-ice surface interaction, molecular dynamics studies were initiated. The calculations of monomer-ice surface interactions indicate that many adsorption sites exist on the ice surfaces and that the barriers between bonding sites are relatively low. Bonding on the prism face of ice is preferentially above lattice sites.

Suppression of spin and optical gaps in phosphorene quantum dots

NASA Astrophysics Data System (ADS)

Zhang, Yingjie; Sheng, Weidong

2018-05-01

Electronic structure and optical properties of triangular phosphorene quantum dots have been investigated theoretically. Based on systematic configuration interaction calculations, the ground and excited states of the interacting many-electron system together with its optical absorption spectrum are obtained. For the nanodot with 60 phosphorus atoms in various dielectric environments, it is found that the spin gap of the correlated system surprisingly overlaps its optical gap over a large range of the effective dielectric constant. The overlapping of the spin and optical gaps can be attributed to the fact that the extra correlation energy in the spin singlet almost compensates the exchange energy in the spin triplet in the presence of strong long-range electron-electron interactions. Moreover, both the spin and optical gaps are shown to be greatly suppressed as the screening effect becomes strong. When the dielectric constant decreases below 2.65, it is seen that the spin gap becomes negative and the quantum dot undergoes a phase transition from nonmagnetic to ferromagnetic. Our results are compared with the previous experimental and theoretical works.

Deep Neural Network Detects Quantum Phase Transition

NASA Astrophysics Data System (ADS)

Arai, Shunta; Ohzeki, Masayuki; Tanaka, Kazuyuki

2018-03-01

We detect the quantum phase transition of a quantum many-body system by mapping the observed results of the quantum state onto a neural network. In the present study, we utilized the simplest case of a quantum many-body system, namely a one-dimensional chain of Ising spins with the transverse Ising model. We prepared several spin configurations, which were obtained using repeated observations of the model for a particular strength of the transverse field, as input data for the neural network. Although the proposed method can be employed using experimental observations of quantum many-body systems, we tested our technique with spin configurations generated by a quantum Monte Carlo simulation without initial relaxation. The neural network successfully identified the strength of transverse field only from the spin configurations, leading to consistent estimations of the critical point of our model Γc = J.

Optimizing Teleportation Cost in Distributed Quantum Circuits

NASA Astrophysics Data System (ADS)

Zomorodi-Moghadam, Mariam; Houshmand, Mahboobeh; Houshmand, Monireh

2018-03-01

The presented work provides a procedure for optimizing the communication cost of a distributed quantum circuit (DQC) in terms of the number of qubit teleportations. Because of technology limitations which do not allow large quantum computers to work as a single processing element, distributed quantum computation is an appropriate solution to overcome this difficulty. Previous studies have applied ad-hoc solutions to distribute a quantum system for special cases and applications. In this study, a general approach is proposed to optimize the number of teleportations for a DQC consisting of two spatially separated and long-distance quantum subsystems. To this end, different configurations of locations for executing gates whose qubits are in distinct subsystems are considered and for each of these configurations, the proposed algorithm is run to find the minimum number of required teleportations. Finally, the configuration which leads to the minimum number of teleportations is reported. The proposed method can be used as an automated procedure to find the configuration with the optimal communication cost for the DQC. This cost can be used as a basic measure of the communication cost for future works in the distributed quantum circuits.

Nonlocal Polarization Feedback in a Fractional Quantum Hall Ferromagnet.

PubMed

Hennel, Szymon; Braem, Beat A; Baer, Stephan; Tiemann, Lars; Sohi, Pirouz; Wehrli, Dominik; Hofmann, Andrea; Reichl, Christian; Wegscheider, Werner; Rössler, Clemens; Ihn, Thomas; Ensslin, Klaus; Rudner, Mark S; Rosenow, Bernd

2016-04-01

In a quantum Hall ferromagnet, the spin polarization of the two-dimensional electron system can be dynamically transferred to nuclear spins in its vicinity through the hyperfine interaction. The resulting nuclear field typically acts back locally, modifying the local electronic Zeeman energy. Here we report a nonlocal effect arising from the interplay between nuclear polarization and the spatial structure of electronic domains in a ν=2/3 fractional quantum Hall state. In our experiments, we use a quantum point contact to locally control and probe the domain structure of different spin configurations emerging at the spin phase transition. Feedback between nuclear and electronic degrees of freedom gives rise to memristive behavior, where electronic transport through the quantum point contact depends on the history of current flow. We propose a model for this effect which suggests a novel route to studying edge states in fractional quantum Hall systems and may account for so-far unexplained oscillatory electronic-transport features observed in previous studies.

Dynamics of tripartite quantum correlations and decoherence in flux qubit systems under local and non-local static noise

NASA Astrophysics Data System (ADS)

Arthur, Tsamouo Tsokeng; Martin, Tchoffo; Fai, Lukong Cornelius

2018-06-01

We investigate the dynamics of entanglement, decoherence and quantum discord in a system of three non-interacting superconducting flux qubits (fqubits) initially prepared in a Greenberger-Horne-Zeilinger (GHZ) state and subject to static noise in different, bipartite and common environments, since it is recognized that different noise configurations generally lead to completely different dynamical behavior of physical systems. The noise is modeled by randomizing the single fqubit transition amplitude. Decoherence and quantum correlations dynamics are strongly affected by the purity of the initial state, type of system-environment interaction and the system-environment coupling strength. Specifically, quantum correlations can persist when the fqubits are commonly coupled to a noise source, and reaches a saturation value respective to the purity of the initial state. As the number of decoherence channels increases (bipartite and different environments), decoherence becomes stronger against quantum correlations that decay faster, exhibiting sudden death and revival phenomena. The residual entanglement can be successfully detected by means of suitable entanglement witness, and we derive a necessary condition for entanglement detection related to the tunable and non-degenerated energy levels of fqubits. In accordance with the current literature, our results further suggest the efficiency of fqubits over ordinary ones, as far as the preservation of quantum correlations needed for quantum processing purposes is concerned.

Effects of external magnetic field and magnetic anisotropy on chiral spin structures of square nanodisks investigated with a quantum simulation approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2016-04-01

We employed a quantum simulation approach to investigate the magnetic properties of monolayer square nanodisks with Dzyaloshinsky-Moriya (DM) interaction. The computational program converged very quickly, and generated chiral spin structures on the disk planes with good symmetry. When the DM interaction is sufficiently strong, multi-domain structures appears, their sizes or average distance between each pair of domains can be approximately described by a modified grid theory. We further found that the external magnetic field and uniaxial magnetic anisotropy both normal to the disk plane lead to reductions of the total free energy and total energy of the nanosystems, thus are able to stabilize and/or induce the vortical structures, however, the chirality of the vortex is still determined by the sign of the DM interaction parameter. Moreover, the geometric shape of the nanodisk affects the spin configuration on the disk plane as well.

Quantum plasmonic sensing

DOE PAGES

Fan, Wenjiang; Lawrie, Benjamin J.; Pooser, Raphael C.

2015-11-04

Surface plasmon resonance (SPR) sensors can reach the quantum noise limit of the optical readout field in various configurations. We demonstrate that two-mode intensity squeezed states produce a further enhancement in sensitivity compared with a classical optical readout when the quantum noise is used to transduce an SPR sensor signal in the Kretschmann configuration. The quantum noise reduction between the twin beams when incident at an angle away from the plasmonic resonance, combined with quantum noise resulting from quantum anticorrelations when on resonance, results in an effective SPR-mediated modulation that yields a measured sensitivity 5 dB better than that withmore » a classical optical readout in this configuration. Furthermore, the theoretical potential of this technique points to resolving particle concentrations with more accuracy than is possible via classical approaches to optical transduction.« less

Design considerations for multielectron double quantum dot qubits in silicon

NASA Astrophysics Data System (ADS)

Nielsen, Erik; Barnes, Edwin; Kestner, Jason

2014-03-01

Solid state double quantum dot (DQD) spin qubits can be created by confining two electrons to a DQD potential. We present results showing the viability and potential advantages of creating a DQD spin qubit with greater than two electrons, and which suggest that silicon devices which could realize these advantages are experimentally possible. Our analysis of a six-electron DQD uses full configuration interaction methods and shows an isolated qubit space in regimes which 3D quantum device simulations indicate are accessible experimentally. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations.

PubMed

Burkatzki, M; Filippi, Claudia; Dolg, M

2008-10-28

We extend our recently published set of energy-consistent scalar-relativistic Hartree-Fock pseudopotentials by the 3d-transition metal elements, scandium through zinc. The pseudopotentials do not exhibit a singularity at the nucleus and are therefore suitable for quantum Monte Carlo (QMC) calculations. The pseudopotentials and the accompanying basis sets (VnZ with n=T,Q) are given in standard Gaussian representation and their parameter sets are presented. Coupled cluster, configuration interaction, and QMC studies are carried out for the scandium and titanium atoms and their oxides, demonstrating the good performance of the pseudopotentials. Even though the choice of pseudopotential form is motivated by QMC, these pseudopotentials can also be employed in other quantum chemical approaches.

The electronic structure of VO in its ground and electronically excited states: A combined matrix isolation and quantum chemical (MRCI) study

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

Hübner, Olaf; Hornung, Julius; Himmel, Hans-Jörg, E-mail: hans-jorg.himmel@aci.uni-heidelberg.de

2015-07-14

The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study essentially confirms the assignment and characterization of the electronic excitations observed for VO in the gas-phase and in Ne matrices and allows the clarification of open issues. It provides a complete overview over the electronically excited states up to about 3 eV of this archetypical compound.

Amino acid analogues bind to carbon nanotube via π-π interactions: Comparison of molecular mechanical and quantum mechanical calculations

NASA Astrophysics Data System (ADS)

Yang, Zaixing; Wang, Zhigang; Tian, Xingling; Xiu, Peng; Zhou, Ruhong

2012-01-01

Understanding the interaction between carbon nanotubes (CNTs) and biomolecules is essential to the CNT-based nanotechnology and biotechnology. Some recent experiments have suggested that the π-π stacking interactions between protein's aromatic residues and CNTs might play a key role in their binding, which raises interest in large scale modeling of protein-CNT complexes and associated π-π interactions at atomic detail. However, there is concern on the accuracy of classical fixed-charge molecular force fields due to their classical treatments and lack of polarizability. Here, we study the binding of three aromatic residue analogues (mimicking phenylalanine, tyrosine, and tryptophan) and benzene to a single-walled CNT, and compare the molecular mechanical (MM) calculations using three popular fixed-charge force fields (OPLSAA, AMBER, and CHARMM), with quantum mechanical (QM) calculations using the density-functional tight-binding method with the inclusion of dispersion correction (DFTB-D). Two typical configurations commonly found in π-π interactions are used, one with the aromatic rings parallel to the CNT surface (flat), and the other perpendicular (edge). Our calculations reveal that compared to the QM results the MM approaches can appropriately reproduce the strength of π-π interactions for both configurations, and more importantly, the energy difference between them, indicating that the various contributions to π-π interactions have been implicitly included in the van der Waals parameters of the standard MM force fields. Meanwhile, these MM models are less accurate in predicting the exact structural binding patterns (matching surface), meaning there are still rooms to be improved. In addition, we have provided a comprehensive and reliable QM picture for the π-π interactions of aromatic molecules with CNTs in gas phase, which might be used as a benchmark for future force field developments.

Amino acid analogues bind to carbon nanotube via π-π interactions: comparison of molecular mechanical and quantum mechanical calculations.

PubMed

Yang, Zaixing; Wang, Zhigang; Tian, Xingling; Xiu, Peng; Zhou, Ruhong

2012-01-14

Understanding the interaction between carbon nanotubes (CNTs) and biomolecules is essential to the CNT-based nanotechnology and biotechnology. Some recent experiments have suggested that the π-π stacking interactions between protein's aromatic residues and CNTs might play a key role in their binding, which raises interest in large scale modeling of protein-CNT complexes and associated π-π interactions at atomic detail. However, there is concern on the accuracy of classical fixed-charge molecular force fields due to their classical treatments and lack of polarizability. Here, we study the binding of three aromatic residue analogues (mimicking phenylalanine, tyrosine, and tryptophan) and benzene to a single-walled CNT, and compare the molecular mechanical (MM) calculations using three popular fixed-charge force fields (OPLSAA, AMBER, and CHARMM), with quantum mechanical (QM) calculations using the density-functional tight-binding method with the inclusion of dispersion correction (DFTB-D). Two typical configurations commonly found in π-π interactions are used, one with the aromatic rings parallel to the CNT surface (flat), and the other perpendicular (edge). Our calculations reveal that compared to the QM results the MM approaches can appropriately reproduce the strength of π-π interactions for both configurations, and more importantly, the energy difference between them, indicating that the various contributions to π-π interactions have been implicitly included in the van der Waals parameters of the standard MM force fields. Meanwhile, these MM models are less accurate in predicting the exact structural binding patterns (matching surface), meaning there are still rooms to be improved. In addition, we have provided a comprehensive and reliable QM picture for the π-π interactions of aromatic molecules with CNTs in gas phase, which might be used as a benchmark for future force field developments.

Current in nanojunctions: Effects of reservoir coupling

NASA Astrophysics Data System (ADS)

Yadalam, Hari Kumar; Harbola, Upendra

2018-07-01

We study the effect of system reservoir coupling on currents flowing through quantum junctions. We consider two simple double-quantum dot configurations coupled to two external fermionic reservoirs and study the net current flowing between the two reservoirs. The net current is partitioned into currents carried by the eigenstates of the system and by the coherences between the eigenstates induced due to coupling with the reservoirs. We find that current carried by populations is always positive whereas current carried by coherences are negative for large couplings. This results in a non-monotonic dependence of the net current on the coupling strength. We find that in certain cases, the net current can vanish at large couplings due to cancellation between currents carried by the eigenstates and by the coherences. These results provide new insights into the non-trivial role of system-reservoir couplings on electron transport through quantum dot junctions. In the presence of weak coulomb interactions, net current as a function of system reservoir coupling strength shows similar trends as for the non-interacting case.

Manipulating quantum coherence of charge states in interacting double-dot Aharonov–Bohm interferometers

NASA Astrophysics Data System (ADS)

Jin, Jinshuang; Wang, Shikuan; Zhou, Jiahuan; Zhang, Wei-Min; Yan, YiJing

2018-04-01

We investigate the dynamics of charge-state coherence in a degenerate double-dot Aharonov–Bohm interferometer with finite inter-dot Coulomb interactions. The quantum coherence of the charge states is found to be sensitive to the transport setup configurations, involving both the single-electron impurity channels and the Coulomb-assisted ones. We numerically demonstrate the emergence of a complete coherence between the two charge states, with the relative phase being continuously controllable through the magnetic flux. Interestingly, a fully coherent charge qubit arises at the double-dots electron pair tunneling resonance condition, where the chemical potential of one electrode is tuned at the center between a single-electron impurity channel and the related Coulomb-assisted channel. This pure quantum state of charge qubit could be experimentally realized at the current–voltage characteristic turnover position, where differential conductance sign changes. We further elaborate the underlying mechanism for both the real-time and the stationary charge-states coherence in the double-dot systems of study.

Configuration and energy landscape of the benzonitrile anion

NASA Astrophysics Data System (ADS)

Kirnosov, Nikita; Adamowicz, Ludwik

2017-05-01

Quantum chemical calculations are employed to study the configurational isomers of the anion formed by benzene substituted with a cyano group. It is found that an excess electron can form dipole-bound (DB) states with benzonitrile and phenyl-isocyanide isomers. It can also attach to the cyano group, if this group is separated from the benzene ring by some distance, forming a covalent CN- anion. There are four positions at peripherals of the benzene ring where this anion can localize and form stable complexes with the benzene radical. In these complexes CN- is connected to the benzene radical via non-covalent interactions.

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.

Attractive versus repulsive interactions in the Bose-Einstein condensation dynamics of relativistic field theories

NASA Astrophysics Data System (ADS)

Berges, J.; Boguslavski, K.; Chatrchyan, A.; Jaeckel, J.

2017-10-01

We study the impact of attractive self-interactions on the nonequilibrium dynamics of relativistic quantum fields with large occupancies at low momenta. Our primary focus is on Bose-Einstein condensation and nonthermal fixed points in such systems. For a model system, we consider O (N ) -symmetric scalar field theories. We use classical-statistical real-time simulations as well as a systematic 1 /N expansion of the quantum (two-particle-irreducible) effective action to next-to-leading order. When the mean self-interactions are repulsive, condensation occurs as a consequence of a universal inverse particle cascade to the zero-momentum mode with self-similar scaling behavior. For attractive mean self-interactions, the inverse cascade is absent, and the particle annihilation rate is enhanced compared to the repulsive case, which counteracts the formation of coherent field configurations. For N ≥2 , the presence of a nonvanishing conserved charge can suppress number-changing processes and lead to the formation of stable localized charge clumps, i.e., Q balls.

Electron-phonon interaction in three-barrier nanosystems as active elements of quantum cascade detectors

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

Tkach, N. V., E-mail: ktf@chnu.edu.ua; Seti, Ju. A.; Grynyshyn, Yu. B.

2015-04-15

The theory of electron tunneling through an open nanostructure as an active element of a quantum cascade detector is developed, which takes into account the interaction of electrons with confined and interface phonons. Using the method of finite-temperature Green’s functions and the electron-phonon Hamiltonian in the representation of second quantization over all system variables, the temperature shifts and electron-level widths are calculated and the contributions of different electron-phonon-interaction mechanisms to renormalization of the spectral parameters are analyzed depending on the geometrical configuration of the nanosystem. Due to weak electron-phonon coupling in a GaAs/Al{sub 0.34}Ga{sub 0.66}As-based resonant tunneling nanostructure, the temperaturemore » shift and rf field absorption peak width are not very sensitive to the electron-phonon interaction and result from a decrease in potential barrier heights caused by a difference in the temperature dependences of the well and barrier band gaps.« less

Exponentially more precise quantum simulation of fermions in the configuration interaction representation

NASA Astrophysics Data System (ADS)

Babbush, Ryan; Berry, Dominic W.; Sanders, Yuval R.; Kivlichan, Ian D.; Scherer, Artur; Wei, Annie Y.; Love, Peter J.; Aspuru-Guzik, Alán

2018-01-01

We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in Babbush et al (2016 New Journal of Physics 18, 033032), we employ a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. The algorithm of this paper involves simulation under an oracle for the sparse, first-quantized representation of the molecular Hamiltonian known as the configuration interaction (CI) matrix. We construct and query the CI matrix oracle to allow for on-the-fly computation of molecular integrals in a way that is exponentially more efficient than classical numerical methods. Whereas second-quantized representations of the wavefunction require \\widetilde{{ O }}(N) qubits, where N is the number of single-particle spin-orbitals, the CI matrix representation requires \\widetilde{{ O }}(η ) qubits, where η \\ll N is the number of electrons in the molecule of interest. We show that the gate count of our algorithm scales at most as \\widetilde{{ O }}({η }2{N}3t).

Accurate wavelengths for X-ray spectroscopy and the NIST hydrogen-like ion database

NASA Astrophysics Data System (ADS)

Kotochigova, S. A.; Kirby, K. P.; Brickhouse, N. S.; Mohr, P. J.; Tupitsyn, I. I.

2005-06-01

We have developed an ab initio multi-configuration Dirac-Fock-Sturm method for the precise calculation of X-ray emission spectra, including energies, transition wavelengths and transition probabilities. The calculations are based on non-orthogonal basis sets, generated by solving the Dirac-Fock and Dirac-Fock-Sturm equations. Inclusion of Sturm functions into the basis set provides an efficient description of correlation effects in highly charged ions and fast convergence of the configuration interaction procedure. A second part of our study is devoted to developing a theoretical procedure and creating an interactive database to generate energies and transition frequencies for hydrogen-like ions. This procedure is highly accurate and based on current knowledge of the relevant theory, which includes relativistic, quantum electrodynamic, recoil, and nuclear size effects.

Gossip algorithms in quantum networks

NASA Astrophysics Data System (ADS)

Siomau, Michael

2017-01-01

Gossip algorithms is a common term to describe protocols for unreliable information dissemination in natural networks, which are not optimally designed for efficient communication between network entities. We consider application of gossip algorithms to quantum networks and show that any quantum network can be updated to optimal configuration with local operations and classical communication. This allows to speed-up - in the best case exponentially - the quantum information dissemination. Irrespective of the initial configuration of the quantum network, the update requiters at most polynomial number of local operations and classical communication.

Fabry-Perot Interferometry in the Integer and Fractional Quantum Hall Regimes

NASA Astrophysics Data System (ADS)

McClure, Douglas; Chang, Willy; Kou, Angela; Marcus, Charles; Pfeiffer, Loren; West, Ken

2011-03-01

We present measurements of electronic Fabry-Perot interferometers in the integer and fractional quantum Hall regimes. Two classes of resistance oscillations may be seen as a function of magnetic field and gate voltage, as we have previously reported. In small interferometers in the integer regime, oscillations of the type associated with Coulomb interaction are ubiquitous, while those consistent with single-particle Aharonov-Bohm interference are seen to co-exist in some configurations. The amplitude scaling of both types with temperature and device size is consistent with a theoretical model. Oscillations are further observed in the fractional quantum Hall regime. Here the dependence of the period on the filling factors in the constrictions and bulk of the interferometer can shed light on the effective charge of the interfering quasiparticles, but care is needed to distinguish these oscillations from those associated with integer quantum Hall states. We acknowledge funding from Microsoft Project Q and IBM.

Quantum gases. Observation of many-body dynamics in long-range tunneling after a quantum quench.

PubMed

Meinert, Florian; Mark, Manfred J; Kirilov, Emil; Lauber, Katharina; Weinmann, Philipp; Gröbner, Michael; Daley, Andrew J; Nägerl, Hanns-Christoph

2014-06-13

Quantum tunneling is at the heart of many low-temperature phenomena. In strongly correlated lattice systems, tunneling is responsible for inducing effective interactions, and long-range tunneling substantially alters many-body properties in and out of equilibrium. We observe resonantly enhanced long-range quantum tunneling in one-dimensional Mott-insulating Hubbard chains that are suddenly quenched into a tilted configuration. Higher-order tunneling processes over up to five lattice sites are observed as resonances in the number of doubly occupied sites when the tilt per site is tuned to integer fractions of the Mott gap. This forms a basis for a controlled study of many-body dynamics driven by higher-order tunneling and demonstrates that when some degrees of freedom are frozen out, phenomena that are driven by small-amplitude tunneling terms can still be observed. Copyright © 2014, American Association for the Advancement of Science.

Quantum computing applied to calculations of molecular energies: CH2 benchmark.

PubMed

Veis, Libor; Pittner, Jiří

2010-11-21

Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full configuration interaction (FCI) energy calculations with a polynomial scaling. This is in contrast to conventional computers where FCI scales exponentially. We have developed a code for simulation of quantum computers and implemented our version of the quantum FCI algorithm. We provide a detailed description of this algorithm and the results of the assessment of its performance on the four lowest lying electronic states of CH(2) molecule. This molecule was chosen as a benchmark, since its two lowest lying (1)A(1) states exhibit a multireference character at the equilibrium geometry. It has been shown that with a suitably chosen initial state of the quantum register, one is able to achieve the probability amplification regime of the iterative phase estimation algorithm even in this case.

Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins.

PubMed

Li Manni, Giovanni; Smart, Simon D; Alavi, Ali

2016-03-08

A novel stochastic Complete Active Space Self-Consistent Field (CASSCF) method has been developed and implemented in the Molcas software package. A two-step procedure is used, in which the CAS configuration interaction secular equations are solved stochastically with the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) approach, while orbital rotations are performed using an approximated form of the Super-CI method. This new method does not suffer from the strong combinatorial limitations of standard MCSCF implementations using direct schemes and can handle active spaces well in excess of those accessible to traditional CASSCF approaches. The density matrix formulation of the Super-CI method makes this step independent of the size of the CI expansion, depending exclusively on one- and two-body density matrices with indices restricted to the relatively small number of active orbitals. No sigma vectors need to be stored in memory for the FCIQMC eigensolver--a substantial gain in comparison to implementations using the Davidson method, which require three or more vectors of the size of the CI expansion. Further, no orbital Hessian is computed, circumventing limitations on basis set expansions. Like the parent FCIQMC method, the present technique is scalable on massively parallel architectures. We present in this report the method and its application to the free-base porphyrin, Mg(II) porphyrin, and Fe(II) porphyrin. In the present study, active spaces up to 32 electrons and 29 orbitals in orbital expansions containing up to 916 contracted functions are treated with modest computational resources. Results are quite promising even without accounting for the correlation outside the active space. The systems here presented clearly demonstrate that large CASSCF calculations are possible via FCIQMC-CASSCF without limitations on basis set size.

Quantum description of light propagation in generalized media

NASA Astrophysics Data System (ADS)

Häyrynen, Teppo; Oksanen, Jani

2016-02-01

Linear quantum input-output relation based models are widely applied to describe the light propagation in a lossy medium. The details of the interaction and the associated added noise depend on whether the device is configured to operate as an amplifier or an attenuator. Using the traveling wave (TW) approach, we generalize the linear material model to simultaneously account for both the emission and absorption processes and to have point-wise defined noise field statistics and intensity dependent interaction strengths. Thus, our approach describes the quantum input-output relations of linear media with net attenuation, amplification or transparency without pre-selection of the operation point. The TW approach is then applied to investigate materials at thermal equilibrium, inverted materials, the transparency limit where losses are compensated, and the saturating amplifiers. We also apply the approach to investigate media in nonuniform states which can be e.g. consequences of a temperature gradient over the medium or a position dependent inversion of the amplifier. Furthermore, by using the generalized model we investigate devices with intensity dependent interactions and show how an initial thermal field transforms to a field having coherent statistics due to gain saturation.

Breakdown of the Wigner-Mattis theorem in semiconductor carbon-nanotube quantum dots

NASA Astrophysics Data System (ADS)

Rontani, Massimo; Secchi, Andrea; Manghi, Franca

2009-03-01

The Wigner-Mattis theorem states the ground state of two bound electrons, in the absence of the magnetic field, is always a spin-singlet. We predict the opposite result --a triplet- for two electrons in a quantum dot defined in a semiconductor carbon nanotube. The claim is supported by extensive many-body calculations based on the accurate configuration interaction code DONRODRIGO (www.s3.infm.t/donrodrigo). The crux of the matter is the peculiar two-valley structure of low-energy states, which encodes a pseudo-spin degree of freedom. The spin polarization of the ground state corresponds to a pseudo-spin singlet, which is selected by the inter-valley short-range Coulomb interaction. Single-electron excitation spectra and STM wave function images may validate this scenario, as shown by our numerical simulations.

Factorization in large-scale many-body calculations

DOE PAGES

Johnson, Calvin W.; Ormand, W. Erich; Krastev, Plamen G.

2013-08-07

One approach for solving interacting many-fermion systems is the configuration-interaction method, also sometimes called the interacting shell model, where one finds eigenvalues of the Hamiltonian in a many-body basis of Slater determinants (antisymmetrized products of single-particle wavefunctions). The resulting Hamiltonian matrix is typically very sparse, but for large systems the nonzero matrix elements can nonetheless require terabytes or more of storage. An alternate algorithm, applicable to a broad class of systems with symmetry, in our case rotational invariance, is to exactly factorize both the basis and the interaction using additive/multiplicative quantum numbers; such an algorithm recreates the many-body matrix elementsmore » on the fly and can reduce the storage requirements by an order of magnitude or more. Here, we discuss factorization in general and introduce a novel, generalized factorization method, essentially a ‘double-factorization’ which speeds up basis generation and set-up of required arrays. Although we emphasize techniques, we also place factorization in the context of a specific (unpublished) configuration-interaction code, BIGSTICK, which runs both on serial and parallel machines, and discuss the savings in memory due to factorization.« less

Quantum Mechanical Study of γ-Fe2O3 Nanoparticle as a Nanocarrier for Anticancer Drug Delivery

NASA Astrophysics Data System (ADS)

Lari, Hadi; Morsali, Ali; Heravi, Mohammad Momen

2018-05-01

Using density functional theory (DFT), noncovalent interactions and four mechanisms of covalent functionalization of melphalan anticancer drug onto γ-Fe2O3 nanoparticles have been studied. Quantum molecular descriptors of noncovalent configurations were investigated. It was specified that binding of melphalan onto γ-Fe2O3 nanoparticles is thermodynamically suitable. Hardness and the gap of energy between LUMO and HOMO of melphalan are higher than the noncovalent configurations, showing the reactivity of drug increases in the presence of γ-Fe2O3 nanoparticles. Melphalan can bond to γ-Fe2O3 nanoparticles through NH2 (k1 mechanism), OH (k2 mechanism), C=O (k3 mechanism) and Cl (k4 mechanism) groups. The activation energies, the activation enthalpies and the activation Gibbs free energies of these reactions were calculated. Thermodynamic data indicate that k3 mechanism is exothermic and spontaneous and can take place at room temperature. These results could be generalized to other similar drugs.

The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications.

PubMed

Cao, Lushuai; Krönke, Sven; Vendrell, Oriol; Schmelcher, Peter

2013-10-07

We develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered.

Housing Electrons: Relating Quantum Numbers, Energy Levels, and Electron Configurations.

ERIC Educational Resources Information Center

Garofalo, Anthony

1997-01-01

Presents an activity that combines the concepts of quantum numbers and probability locations, energy levels, and electron configurations in a concrete, hands-on way. Uses model houses constructed out of foam board and colored beads to represent electrons. (JRH)

Single photon at a configurable quantum-memory-based beam splitter

NASA Astrophysics Data System (ADS)

Guo, Xianxin; Mei, Yefeng; Du, Shengwang

2018-06-01

We report the demonstration of a configurable coherent quantum-memory-based beam splitter (BS) for a single-photon wave packet making use of laser-cooled 85Rb atoms and electromagnetically induced transparency. The single-photon wave packet is converted (stored) into a collective atomic spin state and later retrieved (split) into two nearly opposing directions. The storage time, beam-splitting ratio, and relative phase are configurable and can be dynamically controlled. We experimentally confirm that such a BS preserves the quantum particle nature of the single photon and the coherence between the two split wave packets of the single photon.

Mid-infrared surface transmitting and detecting quantum cascade device for gas-sensing

PubMed Central

Harrer, Andreas; Szedlak, Rolf; Schwarz, Benedikt; Moser, Harald; Zederbauer, Tobias; MacFarland, Donald; Detz, Hermann; Andrews, Aaron Maxwell; Schrenk, Werner; Lendl, Bernhard; Strasser, Gottfried

2016-01-01

We present a bi-functional surface emitting and surface detecting mid-infrared device applicable for gas-sensing. A distributed feedback ring quantum cascade laser is monolithically integrated with a detector structured from a bi-functional material for same frequency lasing and detection. The emitted single mode radiation is collimated, back reflected by a flat mirror and detected by the detector element of the sensor. The surface operation mode combined with the low divergence emission of the ring quantum cascade laser enables for long analyte interaction regions spatially separated from the sample surface. The device enables for sensing of gaseous analytes which requires a relatively long interaction region. Our design is suitable for 2D array integration with multiple emission and detection frequencies. Proof of principle measurements with isobutane (2-methylpropane) and propane as gaseous analytes were conducted. Detectable concentration values of 0–70% for propane and 0–90% for isobutane were reached at a laser operation wavelength of 6.5 μm utilizing a 10 cm gas cell in double pass configuration. PMID:26887891

Quantum return probability of a system of N non-interacting lattice fermions

NASA Astrophysics Data System (ADS)

Krapivsky, P. L.; Luck, J. M.; Mallick, K.

2018-02-01

We consider N non-interacting fermions performing continuous-time quantum walks on a one-dimensional lattice. The system is launched from a most compact configuration where the fermions occupy neighboring sites. We calculate exactly the quantum return probability (sometimes referred to as the Loschmidt echo) of observing the very same compact state at a later time t. Remarkably, this probability depends on the parity of the fermion number—it decays as a power of time for even N, while for odd N it exhibits periodic oscillations modulated by a decaying power law. The exponent also slightly depends on the parity of N, and is roughly twice smaller than what it would be in the continuum limit. We also consider the same problem, and obtain similar results, in the presence of an impenetrable wall at the origin constraining the particles to remain on the positive half-line. We derive closed-form expressions for the amplitudes of the power-law decay of the return probability in all cases. The key point in the derivation is the use of Mehta integrals, which are limiting cases of the Selberg integral.

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

Curchod, Basile F. E.; Agostini, Federica, E-mail: agostini@mpi-halle.mpg.de; Gross, E. K. U.

Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how nonadiabatic quantum interferences translate in the context of the exact factorization of the molecular wavefunction. In particular, we focus our attention on the shape of the time-dependent potential energy surface—the exact surface on which the nuclear dynamics takes place. We use a one-dimensional exactly solvable model to reproduce different conditions for quantum interferences, whose characteristic features already appear in one-dimension. The time-dependent potential energy surface develops complex features when strong interferences are present, in clear contrastmore » to the observed behavior in simple nonadiabatic crossing cases. Nevertheless, independent classical trajectories propagated on the exact time-dependent potential energy surface reasonably conserve a distribution in configuration space that mimics one of the exact nuclear probability densities.« less

Multipulse addressing of a Raman quantum memory: configurable beam splitting and efficient readout.

PubMed

Reim, K F; Nunn, J; Jin, X-M; Michelberger, P S; Champion, T F M; England, D G; Lee, K C; Kolthammer, W S; Langford, N K; Walmsley, I A

2012-06-29

Quantum memories are vital to the scalability of photonic quantum information processing (PQIP), since the storage of photons enables repeat-until-success strategies. On the other hand, the key element of all PQIP architectures is the beam splitter, which allows us to coherently couple optical modes. Here, we show how to combine these crucial functionalities by addressing a Raman quantum memory with multiple control pulses. The result is a coherent optical storage device with an extremely large time bandwidth product, that functions as an array of dynamically configurable beam splitters, and that can be read out with arbitrarily high efficiency. Networks of such devices would allow fully scalable PQIP, with applications in quantum computation, long distance quantum communications and quantum metrology.

Optical spectroscopy and system-bath interactions in molecular aggregates with full configuration interaction Frenkel exciton model

NASA Astrophysics Data System (ADS)

Seibt, Joachim; Sláma, Vladislav; Mančal, Tomáš

2016-12-01

Standard application of the Frenkel exciton model neglects resonance coupling between collective molecular aggregate states with different number of excitations. These inter-band coupling terms are, however, of the same magnitude as the intra-band coupling between singly excited states. We systematically derive the Frenkel exciton model from quantum chemical considerations, and identify it as a variant of the configuration interaction method. We discuss all non-negligible couplings between collective aggregate states, and provide compact formulae for their calculation. We calculate absorption spectra of molecular aggregate of carotenoids and identify significant band shifts as a result of inter-band coupling. The presence of inter-band coupling terms requires renormalization of the system-bath coupling with respect to standard formulation, but renormalization effects are found to be weak. We present detailed discussion of molecular dimer and calculate its time-resolved two-dimensional Fourier transformed spectra to find weak but noticeable effects of peak amplitude redistribution due to inter-band coupling.

Charge instability in double quantum dots in Ge/Si core/shell nanowires

NASA Astrophysics Data System (ADS)

Zarassi, Azarin; Su, Zhaoen; Schwenderling, Jens; Frolov, Sergey M.; Hocevar, Moïra; Nguyen, Binh-Minh; Yoo, Jinkyoung; Dayeh, Shadi A.

Controlling dephasing times are of great challenge in the studies of spin qubit. Reported long spin coherence time and predicted strong spin-orbit interaction of holes in Ge/Si core/shell nanowires, as well as their weak coupling to very few nuclear spins of these group IV semiconductors, persuade electrical spin control. We have established Pauli spin blockade in gate-tunable quantum dots formed in these nanowires. The g-factor has been measured and evidence of spin-orbit interaction has been observed in the presence of magnetic field. However, electrical control of spins requires considerable stability in the double dot configuration, and imperfectly these dots suffer from poor stability. We report on fabrication modifications on Ge/Si core/shell nanowires, as well as measurement techniques to suppress the charge instabilities and ease the way to study spin-orbit coupling and resolve electric dipole spin resonance.

Omega-Omega interaction from 2+1-flavor lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Yamada, Masanori; Sasaki, Kenji; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu

2015-07-01

We investigate the interaction between Ω baryons in the {^{1}S}_0 channel from 2{+ }1-flavor lattice quantum chromodynamics (QCD) simulations. On the basis of the HAL QCD method, the Ω Ω potential is extracted from the Nambu-Bethe-Salpeter wave function calculated on the lattice by using the PACS-CS gauge configurations with a lattice spacing of a˜eq 0.09fm, a lattice volume of L˜eq 2.9fm, and quark masses corresponding to m_π ˜eq 700MeV and m_Ω ˜eq 1970MeV. The Ω Ω potential has a repulsive core at short distances and an attractive well at intermediate distances. Accordingly, the phase shift obtained from the potential shows moderate attraction at low energies. Our data indicate that the Ω Ω system with the present quark masses may appear close to the unitary limit where the scattering length diverges.

Spin Polarized Transport in Multilayer Structures with Complex Magnetic Configurations

NASA Astrophysics Data System (ADS)

Sahakyan, Avag; Poghosyan, Anahit; Movsesyan, Ruzan; Kocharian, Armen

The spin transport and spin polarization in a new class of multilayer structures are investigated for non-collinear and noncoplanar magnetic configurations containing repetitive magnetic layers. The magnetic configuration of the structure dictates the existence of certain degrees of freedom that determines magnetic transport and polarization properties. We consider magnetic structures in magnetic multilayers with canted spin configurations separated by non-magnetic quantum well so that the exchange interaction between the neighbor barriers can be ignored. Configurations of magnetizations in barriers include some structures consisting of two ''ferromagnetic'' or ''antiferromagnetic'' domains twisted relative to each other by a certain angle (angle noncollinearity). The similar system, formed from two noncollinear domains separated by canted ''magnetic defect'' is also considered. The above mentioned properties of these systems depend strongly on the type of magnetic configuration and variation of certain degrees of freedom. Simple theoretical approach with the transfer matrix method is carried out to understand and predict the magnetic properties of the multilayer systems. The work at California University Los Angeles was supported by the National Science Foundation-Partnerships for Research and Education in Materials under Grant DMR-1523588.

Quantum logic gates based on ballistic transport in graphene

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

Dragoman, Daniela; Academy of Romanian Scientists, Splaiul Independentei 54, 050094 Bucharest; Dragoman, Mircea, E-mail: mircea.dragoman@imt.ro

2016-03-07

The paper presents various configurations for the implementation of graphene-based Hadamard, C-phase, controlled-NOT, and Toffoli gates working at room temperature. These logic gates, essential for any quantum computing algorithm, involve ballistic graphene devices for qubit generation and processing and can be fabricated using existing nanolithographical techniques. All quantum gate configurations are based on the very large mean-free-paths of carriers in graphene at room temperature.

Multiphoton Coherent Manipulation in Large-Spin Qubits

NASA Astrophysics Data System (ADS)

Bertaina, S.; Chen, L.; Groll, N.; van Tol, J.; Dalal, N. S.; Chiorescu, I.

2009-02-01

Large-spin Mn2+ ions (S=5/2) diluted in a nonmagnetic MgO matrix of high crystalline symmetry are used to realize a six-level system that can be operated by means of multiphoton coherent Rabi oscillations. This spin system has a very small anisotropy which can be tuned in situ to reversibly transform the system between harmonic and nonharmonic level configurations. Decoherence effects are strongly suppressed as a result of the quasi-isotropic electron interaction with the crystal field and with the Mn55 nuclear spins. These results suggest new ways of manipulating, reading, and resetting spin quantum states which can be applied to encode a qubit across several quantum levels.

Effects of relativity of RTEX in collisions of U sup q+ with light targets

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

Chen, Mau Hsiung.

1990-11-07

We have calculated the resonant transfer and excitation cross sections in collisions of U{sup q+} (q = 82, 89, 90) ion with H{sub 2}, He and C in impulse approximation using the multi-configuration Dirac-Fock method. The calculations were carried out in intermediate coupling with configuration interaction. The quantum electrodynamic and finite nuclear size corrections were included in the calculations of transition energies. The Auger rates were calculated including the contributions from Coulomb as well as the transverse Breit interactions. For U{sup 89+} and U{sup 90+}, effects of relatively not only shift the peak positions but also change the peak structure.more » The total dielectronic recombination strength has been found to increase by 50% due to the effects of relativity. The present theoretical RTEX cross sections for U{sup 90+} in hydrogen agree well with experiment. For U{sup 82+}, Breit interaction had been found to have little effect on the RTEX cross sections involving L-shell excitation. However, the spin-orbit interaction can still make significant change in the peak structure. 24 refs., 4 figs.« less

Quantum mechanical tunneling in the automerization of cyclobutadiene

NASA Astrophysics Data System (ADS)

Schoonmaker, R.; Lancaster, T.; Clark, S. J.

2018-03-01

Cyclobutadiene has a four-membered carbon ring with two double bonds, but this highly strained molecular configuration is almost square and, via a coordinated motion, the nuclei quantum mechanically tunnels through the high-energy square state to a configuration equivalent to the initial configuration under a 90° rotation. This results in a square ground state, comprising a superposition of two molecular configurations, that is driven by quantum tunneling. Using a quantum mechanical model, and an effective nuclear potential from density functional theory, we calculate the vibrational energy spectrum and the accompanying wavefunctions. We use the wavefunctions to identify the motions of the molecule and detail how different motions can enhance or suppress the tunneling rate. This is relevant for kinematics of tunneling-driven reactions, and we discuss these implications. We are also able to provide a qualitative account of how the molecule will respond to an external perturbation and how this may enhance or suppress infra-red-active vibrational transitions.

Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.

PubMed

Dreuw, Andreas

2006-11-13

With the advent of modern computers and advances in the development of efficient quantum chemical computer codes, the meaningful computation of large molecular systems at a quantum mechanical level became feasible. Recent experimental effort to understand photoinitiated processes in biological systems, for instance photosynthesis or vision, at a molecular level also triggered theoretical investigations in this field. In this Minireview, standard quantum chemical methods are presented that are applicable and recently used for the calculation of excited states of photoinitiated processes in biological molecular systems. These methods comprise configuration interaction singles, the complete active space self-consistent field method, and time-dependent density functional theory and its variants. Semiempirical approaches are also covered. Their basic theoretical concepts and mathematical equations are briefly outlined, and their properties and limitations are discussed. Recent successful applications of the methods to photoinitiated processes in biological systems are described and theoretical tools for the analysis of excited states are presented.

Absorbers in the Transactional Interpretation of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Boisvert, Jean-Sébastien; Marchildon, Louis

2013-03-01

The transactional interpretation of quantum mechanics, following the time-symmetric formulation of electrodynamics, uses retarded and advanced solutions of the Schrödinger equation and its complex conjugate to understand quantum phenomena by means of transactions. A transaction occurs between an emitter and a specific absorber when the emitter has received advanced waves from all possible absorbers. Advanced causation always raises the specter of paradoxes, and it must be addressed carefully. In particular, different devices involving contingent absorbers or various types of interaction-free measurements have been proposed as threatening the original version of the transactional interpretation. These proposals will be analyzed by examining in each case the configuration of absorbers and, in the special case of the so-called quantum liar experiment, by carefully following the development of retarded and advanced waves through the Mach-Zehnder interferometer. We will show that there is no need to resort to the hierarchy of transactions that some have proposed, and will argue that the transactional interpretation is consistent with the block-universe picture of time.

Applying Quantum Monte Carlo to the Electronic Structure Problem

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2016-06-01

Two distinct types of Quantum Monte Carlo (QMC) calculations are applied to electronic structure problems such as calculating potential energy curves and producing benchmark values for reaction barriers. First, Variational and Diffusion Monte Carlo (VMC and DMC) methods using a trial wavefunction subject to the fixed node approximation were tested using the CASINO code.[1] Next, Full Configuration Interaction Quantum Monte Carlo (FCIQMC), along with its initiator extension (i-FCIQMC) were tested using the NECI code.[2] FCIQMC seeks the FCI energy for a specific basis set. At a reduced cost, the efficient i-FCIQMC method can be applied to systems in which the standard FCIQMC approach proves to be too costly. Since all of these methods are statistical approaches, uncertainties (error-bars) are introduced for each calculated energy. This study tests the performance of the methods relative to traditional quantum chemistry for some benchmark systems. References: [1] R. J. Needs et al., J. Phys.: Condensed Matter 22, 023201 (2010). [2] G. H. Booth et al., J. Chem. Phys. 131, 054106 (2009).

Application of quantum master equation for long-term prognosis of asset-prices

NASA Astrophysics Data System (ADS)

Khrennikova, Polina

2016-05-01

This study combines the disciplines of behavioral finance and an extension of econophysics, namely the concepts and mathematical structure of quantum physics. We apply the formalism of quantum theory to model the dynamics of some correlated financial assets, where the proposed model can be potentially applied for developing a long-term prognosis of asset price formation. At the informational level, the asset price states interact with each other by the means of a ;financial bath;. The latter is composed of agents' expectations about the future developments of asset prices on the finance market, as well as financially important information from mass-media, society, and politicians. One of the essential behavioral factors leading to the quantum-like dynamics of asset prices is the irrationality of agents' expectations operating on the finance market. These expectations lead to a deeper type of uncertainty concerning the future price dynamics of the assets, than given by a classical probability theory, e.g., in the framework of the classical financial mathematics, which is based on the theory of stochastic processes. The quantum dimension of the uncertainty in price dynamics is expressed in the form of the price-states superposition and entanglement between the prices of the different financial assets. In our model, the resolution of this deep quantum uncertainty is mathematically captured with the aid of the quantum master equation (its quantum Markov approximation). We illustrate our model of preparation of a future asset price prognosis by a numerical simulation, involving two correlated assets. Their returns interact more intensively, than understood by a classical statistical correlation. The model predictions can be extended to more complex models to obtain price configuration for multiple assets and portfolios.

Role of inter-tube coupling and quantum interference on electrical transport in carbon nanotube junctions

NASA Astrophysics Data System (ADS)

Tripathy, Srijeet; Bhattacharyya, Tarun Kanti

2016-09-01

Due to excellent transport properties, Carbon nanotubes (CNTs) show a lot of promise in sensor and interconnect technology. However, recent studies indicate that the conductance in CNT/CNT junctions are strongly affected by the morphology and orientation between the tubes. For proper utilization of such junctions in the development of CNT based technology, it is essential to study the electronic properties of such junctions. This work presents a theoretical study of the electrical transport properties of metallic Carbon nanotube homo-junctions. The study focuses on discerning the role of inter-tube interactions, quantum interference and scattering on the transport properties on junctions between identical tubes. The electronic structure and transport calculations are conducted with an Extended Hückel Theory-Non Equilibrium Green's Function based model. The calculations indicate conductance to be varying with a changing crossing angle, with maximum conductance corresponding to lattice registry, i.e. parallel configuration between the two tubes. Further calculations for such parallel configurations indicate onset of short and long range oscillations in conductance with respect to changing overlap length. These oscillations are attributed to inter-tube coupling effects owing to changing π orbital overlap, carrier scattering and quantum interference of the incident, transmitted and reflected waves at the inter-tube junction.

Many-body effects in transport through a quantum-dot cavity system

NASA Astrophysics Data System (ADS)

Dinu, I. V.; Moldoveanu, V.; Gartner, P.

2018-05-01

We theoretically describe electric transport through an optically active quantum dot embedded in a single-mode cavity, and coupled to source-drain particle reservoirs. The populations of various many-body configurations (e.g., excitons, trions, biexciton) and the photon-number occupancies are calculated from a master equation which is derived in the basis of dressed states. These take into account both the Coulomb and the light-matter interaction. The former is essential in the description of the transport, while for the latter we identify situations in which it can be neglected in the expression of tunneling rates. The fermionic nature of the particle reservoirs plays an important role in the argument. The master equation is numerically solved for the s -shell many-body configurations of disk-shaped quantum dots. If the cavity is tuned to the biexciton-exciton transition, the most efficient optical processes take place in a three-level Λ system. The alternative exciton-ground-state route is inhibited as nonresonant due to the biexciton binding energy. The steady-state current is analyzed as a function of the photon frequency and the coupling to the leads. An unexpected feature appears in its dependence on the cavity loss rate, which turns out to be nonmonotonic.

Theoretical study of strain-dependent optical absorption in a doped self-assembled InAs/InGaAs/GaAs/AlGaAs quantum dot

PubMed Central

Tankasala, Archana; Hsueh, Yuling; Charles, James; Fonseca, Jim; Povolotskyi, Michael; Kim, Jun Oh; Krishna, Sanjay; Allen, Monica S; Allen, Jeffery W; Rahman, Rajib; Klimeck, Gerhard

2018-01-01

A detailed theoretical study of the optical absorption in doped self-assembled quantum dots is presented. A rigorous atomistic strain model as well as a sophisticated 20-band tight-binding model are used to ensure accurate prediction of the single particle states in these devices. We also show that for doped quantum dots, many-particle configuration interaction is also critical to accurately capture the optical transitions of the system. The sophisticated models presented in this work reproduce the experimental results for both undoped and doped quantum dot systems. The effects of alloy mole fraction of the strain controlling layer and quantum dot dimensions are discussed. Increasing the mole fraction of the strain controlling layer leads to a lower energy gap and a larger absorption wavelength. Surprisingly, the absorption wavelength is highly sensitive to the changes in the diameter, but almost insensitive to the changes in dot height. This behavior is explained by a detailed sensitivity analysis of different factors affecting the optical transition energy. PMID:29719758

Observational constraints on quantum decoherence during inflation

NASA Astrophysics Data System (ADS)

Martin, Jérôme; Vennin, Vincent

2018-05-01

Since inflationary perturbations must generically couple to all degrees of freedom present in the early Universe, it is more realistic to view these fluctuations as an open quantum system interacting with an environment. Then, on very general grounds, their evolution can be modelled with a Lindblad equation. This modified evolution leads to quantum decoherence of the system, as well as to corrections to observables such as the power spectrum of curvature fluctuations. On one hand, current cosmological observations constrain the properties of possible environments and place upper bounds on the interaction strengths. On the other hand, imposing that decoherence completes by the end of inflation implies lower bounds on the interaction strengths. Therefore, the question arises of whether successful decoherence can occur without altering the power spectrum. In this paper, we systematically identify all scenarios in which this is possible. As an illustration, we discuss the case in which the environment consists of a heavy test scalar field. We show that this realises the very peculiar configuration where the correction to the power spectrum is quasi scale invariant. In that case, the presence of the environment improves the fit to the data for some inflationary models but deteriorates it for others. This clearly demonstrates that decoherence is not only of theoretical importance but can also be crucial for astrophysical observations.

Retrieving the ground state of spin glasses using thermal noise: Performance of quantum annealing at finite temperatures.

PubMed

Nishimura, Kohji; Nishimori, Hidetoshi; Ochoa, Andrew J; Katzgraber, Helmut G

2016-09-01

We study the problem to infer the ground state of a spin-glass Hamiltonian using data from another Hamiltonian with interactions disturbed by noise from the original Hamiltonian, motivated by the ground-state inference in quantum annealing on a noisy device. It is shown that the average Hamming distance between the inferred spin configuration and the true ground state is minimized when the temperature of the noisy system is kept at a finite value, and not at zero temperature. We present a spin-glass generalization of a well-established result that the ground state of a purely ferromagnetic Hamiltonian is best inferred at a finite temperature in the sense of smallest Hamming distance when the original ferromagnetic interactions are disturbed by noise. We use the numerical transfer-matrix method to establish the existence of an optimal finite temperature in one- and two-dimensional systems. Our numerical results are supported by mean-field calculations, which give an explicit expression of the optimal temperature to infer the spin-glass ground state as a function of variances of the distributions of the original interactions and the noise. The mean-field prediction is in qualitative agreement with numerical data. Implications on postprocessing of quantum annealing on a noisy device are discussed.

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

NASA Technical Reports Server (NTRS)

Smelyanskiy, V. N.; Toussaint, U. V.; Timucin, D. A.

2002-01-01

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum excitation gap. g min, = O(n 2(exp -n/2), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to 'the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

NASA Technical Reports Server (NTRS)

Smelyanskiy, Vadius; vonToussaint, Udo V.; Timucin, Dogan A.; Clancy, Daniel (Technical Monitor)

2002-01-01

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Resonance interaction energy between two entangled atoms in a photonic bandgap environment.

PubMed

Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia

2018-03-26

We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.

Entanglement between collective fields via atomic coherence effects

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

Zhang Xiu; Department of Physics, Xiaogan University, Xiaogan 432000; Hu Xiangming

2010-01-15

We explore the quantum entanglement between two collective fields via atomic coherence effects. For three-level atoms in V configuration driven by two applied fields on two-photon resonance, one coherent superposition of the excited states is not excited, which is the counterpart of coherent population trapping. The coherence-induced depopulation makes two cavity fields in each collection combine into a quantum-beat, i.e., equivalently, the difference mode of the two components decouples from the driven atoms. The two sum modes, when they are arranged in the four-wave mixinglike interactions, can be prepared in Einstein-Podolsky-Rosen entangled state. Correspondingly, any two individual fields from differentmore » collective modes are entangled with each other. Furthermore, the effects of thermal reservoir and laser linewidths are discussed, and a generalization is given to the case in which each quantum beat involves more than two modes.« less

Collisions of O+ with He at low energies

NASA Astrophysics Data System (ADS)

Joseph, Dwayne C.; Saha, B. C.; Zhao, L. B.

2009-05-01

We have investigated the following charge transfer processO^+( ^4S^0, ^2D^0, ^2P^0)+He->O( ^3P)+He^+-δE using the full quantum [1] and semi-classical molecular [2]orbital close-coupling (MOCC) approximations. The quantum MOCC equations are solved numerically in the adiabatic representation [3]. Using MRD-CI package [4] the ab initio configuration interaction calculation is carried out for potential energies. Details of our findings will be reported in the conference. [1] B. H. Bransden and M. R. C. McDowell, ``Charge Exchange and the Theory of Ion-Atom Collisions'', Clarendon Press, Oxford, 1992. [2] M. Kimura and N. F. Lane, At. Mol. Opt. Phys 26, 79 (1990). [3] J. P. Braga and J. C. Belchoir, J. Comput. Chem 17, 1559 (1996). [4] R. J. Buenker, ``Current Aspects of Quantum Chemistry 1981, Vol 21, edited by R. Carbo (Elsevier, Amsterdam), p 17.

Theory of Charged Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Ponomarev, I. V.; Scheibner, M.; Stinaff, E. A.; Bracker, A. S.; Doty, M. F.; Ware, M. E.; Gammon, D.; Reinecke, T. L.; Korenev, V. L.

2006-03-01

Recent optical spectroscopy of excitonic molecules in coupled quantum dots (CQDs) tuned by electric field reveal a richer diversity in spectral line patterns than in their single quantum dot counterparts. We developed a theoretical model that allows us to classify energies and intensities of various PL transitions. In this approach the electric field induced resonance tunneling of the electron and hole states occurs at different biases due to the inherent asymmetry of CQDs. The truncated many-body basis configurations for each molecule are constructed from antisymmetrized products of single-particle states, where the electron occupies only one ground state level in single QD and the hole can occupy two lowest levels of CQD system. The Coulomb interaction between particles is treated with perturbation theory. As a result the observed PL spectral lines can be described with a small number of parameters. The theoretical predictions account well for recent experiments.

Staircase Quantum Dots Configuration in Nanowires for Optimized Thermoelectric Power

PubMed Central

Li, Lijie; Jiang, Jian-Hua

2016-01-01

The performance of thermoelectric energy harvesters can be improved by nanostructures that exploit inelastic transport processes. One prototype is the three-terminal hopping thermoelectric device where electron hopping between quantum-dots are driven by hot phonons. Such three-terminal hopping thermoelectric devices have potential in achieving high efficiency or power via inelastic transport and without relying on heavy-elements or toxic compounds. We show in this work how output power of the device can be optimized via tuning the number and energy configuration of the quantum-dots embedded in parallel nanowires. We find that the staircase energy configuration with constant energy-step can improve the power factor over a serial connection of a single pair of quantum-dots. Moreover, for a fixed energy-step, there is an optimal length for the nanowire. Similarly for a fixed number of quantum-dots there is an optimal energy-step for the output power. Our results are important for future developments of high-performance nanostructured thermoelectric devices. PMID:27550093

Quantum dynamics of Kerr optical frequency combs below and above threshold: Spontaneous four-wave mixing, entanglement, and squeezed states of light

NASA Astrophysics Data System (ADS)

Chembo, Yanne K.

2016-03-01

The dynamical behavior of Kerr optical frequency combs is very well understood today from the perspective of the semiclassical approximation. These combs are obtained by pumping an ultrahigh-Q whispering-gallery mode resonator with a continuous-wave laser. The long-lifetime photons are trapped within the toruslike eigenmodes of the resonator, where they interact nonlinearly via the Kerr effect. In this article, we use quantum Langevin equations to provide a theoretical understanding of the nonclassical behavior of these combs when pumped below and above threshold. In the configuration where the system is under threshold, the pump field is the unique oscillating mode inside the resonator, and it triggers the phenomenon of spontaneous four-wave mixing, where two photons from the pump are symmetrically up- and down-converted in the Fourier domain. This phenomenon, also referred to as parametric fluorescence, can only be understood and analyzed from a fully quantum perspective as a consequence of the coupling between the field of the central (pumped) mode and the vacuum fluctuations of the various side modes. We analytically calculate the power spectra of the spontaneous emission noise, and we show that these spectra can be either single- or double-peaked depending on the value of the laser frequency, chromatic dispersion, pump power, and spectral distance between the central mode and the side mode of interest. We also calculate as well the overall spontaneous noise power per side mode and propose simplified analytical expressions for some particular cases. In the configuration where the system is pumped above threshold, we investigate the phenomena of quantum correlations and multimode squeezed states of light that can occur in the Kerr frequency combs originating from stimulated four-wave mixing. We show that for all stationary spatiotemporal patterns, the side modes that are symmetrical relative to the pumped mode in the frequency domain display quantum correlations that can lead to squeezed states of light under some optimal conditions that are analytically determined. These quantum correlations can persist regardless the dynamical state of the system (rolls or solitons), regardless of the spectral extension of the comb (number side modes) and regardless of the dispersion regime (normal or anomalous). We also explicitly determine the phase quadratures leading to photon entanglement and analytically calculate their quantum-noise spectra. For both the below- and above-threshold cases, we study with particular emphasis the two principal architectures for Kerr comb generation, namely the add-through and add-drop configurations. It is found that regardless of the configuration, an essential parameter is the ratio between out-coupling and total losses, which plays a key role as it directly determines the efficiency of the detected fluorescence or squeezing spectra. We finally discuss the relevance of Kerr combs for quantum information systems at optical telecommunication wavelengths below and above threshold.

Protein-induced Photophysical Changes to the Amyloid Indicator Dye Thioflavin T

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

L Wolfe; M Calabrese; A Nath

2011-12-31

The small molecule thioflavin T (ThT) is a defining probe for the identification and mechanistic study of amyloid fiber formation. As such, ThT is fundamental to investigations of serious diseases such as Alzheimer's disease, Parkinson disease, and type II diabetes. For each disease, a different protein undergoes conformational conversion to a {beta}-sheet rich fiber. The fluorescence of ThT exhibits an increase in quantum yield upon binding these fibers. Despite its widespread use, the structural basis for binding specificity and for the changes to the photophysical properties of ThT remain poorly understood. Here, we report the co-crystal structures of ThT withmore » two alternative states of {beta}-2 microglobulin ({beta}2m); one monomeric, the other an amyloid-like oligomer. In the latter, the dye intercalates between {beta}-sheets orthogonal to the {beta}-strands. Importantly, the fluorophore is bound in such a manner that a photophysically relevant torsion is limited to a range of angles generally associated with low, not high, quantum yield. Quantum mechanical assessment of the fluorophore shows the electronic distribution to be strongly stabilized by aromatic interactions with the protein. Monomeric {beta}2m gives little increase in ThT fluorescence despite showing three fluorophores, at two binding sites, in configurations generally associated with high quantum yield. Our efforts fundamentally extend existing understanding about the origins of amyloid-induced photophysical changes. Specifically, the {beta}-sheet interface that characterizes amyloid acts both sterically and electronically to stabilize the fluorophore's ground state electronic distribution. By preventing the fluorophore from adopting its preferred excited state configuration, nonradiative relaxation pathways are minimized and quantum yield is increased.« less

Protein-induced photophysical changes to the amyloid indicator dye thioflavin T

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

Wolfe, Leslie S.; Calabrese, Matthew F.; Nath, Abhinav

2010-10-04

The small molecule thioflavin T (ThT) is a defining probe for the identification and mechanistic study of amyloid fiber formation. As such, ThT is fundamental to investigations of serious diseases such as Alzheimer's disease, Parkinson disease, and type II diabetes. For each disease, a different protein undergoes conformational conversion to a {beta}-sheet rich fiber. The fluorescence of ThT exhibits an increase in quantum yield upon binding these fibers. Despite its widespread use, the structural basis for binding specificity and for the changes to the photophysical properties of ThT remain poorly understood. Here, we report the co-crystal structures of ThT withmore » two alternative states of {beta}-2 microglobulin ({beta}2m); one monomeric, the other an amyloid-like oligomer. In the latter, the dye intercalates between {beta}-sheets orthogonal to the {beta}-strands. Importantly, the fluorophore is bound in such a manner that a photophysically relevant torsion is limited to a range of angles generally associated with low, not high, quantum yield. Quantum mechanical assessment of the fluorophore shows the electronic distribution to be strongly stabilized by aromatic interactions with the protein. Monomeric {beta}2m gives little increase in ThT fluorescence despite showing three fluorophores, at two binding sites, in configurations generally associated with high quantum yield. Our efforts fundamentally extend existing understanding about the origins of amyloid-induced photophysical changes. Specifically, the {beta}-sheet interface that characterizes amyloid acts both sterically and electronically to stabilize the fluorophore's ground state electronic distribution. By preventing the fluorophore from adopting its preferred excited state configuration, nonradiative relaxation pathways are minimized and quantum yield is increased.« less

Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution

NASA Astrophysics Data System (ADS)

Zuehlsdorff, T. J.; Isborn, C. M.

2018-01-01

The correct treatment of vibronic effects is vital for the modeling of absorption spectra of many solvated dyes. Vibronic spectra for small dyes in solution can be easily computed within the Franck-Condon approximation using an implicit solvent model. However, implicit solvent models neglect specific solute-solvent interactions on the electronic excited state. On the other hand, a straightforward way to account for solute-solvent interactions and temperature-dependent broadening is by computing vertical excitation energies obtained from an ensemble of solute-solvent conformations. Ensemble approaches usually do not account for vibronic transitions and thus often produce spectral shapes in poor agreement with experiment. We address these shortcomings by combining zero-temperature vibronic fine structure with vertical excitations computed for a room-temperature ensemble of solute-solvent configurations. In this combined approach, all temperature-dependent broadening is treated classically through the sampling of configurations and quantum mechanical vibronic contributions are included as a zero-temperature correction to each vertical transition. In our calculation of the vertical excitations, significant regions of the solvent environment are treated fully quantum mechanically to account for solute-solvent polarization and charge-transfer. For the Franck-Condon calculations, a small amount of frozen explicit solvent is considered in order to capture solvent effects on the vibronic shape function. We test the proposed method by comparing calculated and experimental absorption spectra of Nile red and the green fluorescent protein chromophore in polar and non-polar solvents. For systems with strong solute-solvent interactions, the combined approach yields significant improvements over the ensemble approach. For systems with weak to moderate solute-solvent interactions, both the high-energy vibronic tail and the width of the spectra are in excellent agreement with experiments.

Configurable unitary transformations and linear logic gates using quantum memories.

PubMed

Campbell, G T; Pinel, O; Hosseini, M; Ralph, T C; Buchler, B C; Lam, P K

2014-08-08

We show that a set of optical memories can act as a configurable linear optical network operating on frequency-multiplexed optical states. Our protocol is applicable to any quantum memories that employ off-resonant Raman transitions to store optical information in atomic spins. In addition to the configurability, the protocol also offers favorable scaling with an increasing number of modes where N memories can be configured to implement arbitrary N-mode unitary operations during storage and readout. We demonstrate the versatility of this protocol by showing an example where cascaded memories are used to implement a conditional cz gate.

Multi-electron double quantum dot spin qubits

NASA Astrophysics Data System (ADS)

Nielsen, Erik; Kestner, Jason; Barnes, Edwin; Das Sarma, Sankar

2013-03-01

Double quantum dot (DQD) spin quits in a solid state environment typically consist of two electron spins confined to a DQD potential. We analyze the viability and potential advantages of DQD qubits which use greater then two electrons, and present results for six-electron qubits using full configuration interaction methods. The principal results of this work are that such six electron DQDs can retain an isolated low-energy qubit space that is more robust to charge noise due to screening. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Adiabatic Quantum Computing via the Rydberg Blockade

NASA Astrophysics Data System (ADS)

Keating, Tyler; Goyal, Krittika; Deutsch, Ivan

2012-06-01

We study an architecture for implementing adiabatic quantum computation with trapped neutral atoms. Ground state 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 the performance of a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. We model a realistic architecture, including the effects of magnetic level structure, with qubits encoded into the clock states of ^133Cs, effective B-fields implemented through microwaves and light shifts, and atom-atom coupling achieved by excitation to a high-lying Rydberg level. Including the fundamental effects of photon scattering we find a high fidelity for the two-qubit implementation.

Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor-acceptor-donor type molecules.

PubMed

Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui

2017-06-21

Here we utilized new diagnostic tools in time-dependent density functional theory to explain the trend of intersystem crossing in benzo(bis)-X-diazole based donor-acceptor-donor type molecules. These molecules display a wide range of fluorescence quantum yields and triplet yields, making them excellent candidates for testing the validity of these diagnostic tools. We believe that these tools are cost-effective and can be applied to structurally similar organic chromophores to predict/explain the trends of intersystem crossing, and thus fluorescence quantum yields and triplet yields without the use of complex and expensive multireference configuration interaction or multireference pertubation theory methods.

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

Quantum transport in coupled resonators enclosed synthetic magnetic flux

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

Jin, L., E-mail: jinliang@nankai.edu.cn

Quantum transport properties are instrumental to understanding quantum coherent transport processes. Potential applications of quantum transport are widespread, in areas ranging from quantum information science to quantum engineering, and not restricted to quantum state transfer, control and manipulation. Here, we study light transport in a ring array of coupled resonators enclosed synthetic magnetic flux. The ring configuration, with an arbitrary number of resonators embedded, forms a two-arm Aharonov–Bohm interferometer. The influence of magnetic flux on light transport is investigated. Tuning the magnetic flux can lead to resonant transmission, while half-integer magnetic flux quantum leads to completely destructive interference and transmissionmore » zeros in an interferometer with two equal arms. -- Highlights: •The light transport is investigated through ring array of coupled resonators enclosed synthetic magnetic field. •Aharonov–Bohm ring interferometer of arbitrary configuration is investigated. •The half-integer magnetic flux quantum leads to destructive interference and transmission zeros for two-arm at equal length. •Complete transmission is available via tuning synthetic magnetic flux.« less

Effects of electric field and light polarization on the electromagnetically induced transparency in an impurity doped quantum ring

NASA Astrophysics Data System (ADS)

Bejan, D.; Stan, C.; Niculescu, E. C.

2018-01-01

We theoretically investigated the effects of the impurity position, in-plane electric field, intensity and polarization of the probe and control lasers on the electromagnetically induced transparency (EIT) in GaAs/GaAlAs disc shaped quantum ring. Our study reveals that, depending on the impurity position, the quantum system presents two specific configurations for the EIT occurrence even in the absence of the external electric field, i.e. ladder-configuration or V-configuration, and changes the configuration from ladder to V for specific electric field values. The polarization of the probe and control lasers plays a crucial role in obtaining a good transparency. The electric field controls the red-shift (blue-shift) of the transparency window and modifies its width. The system exhibits birefringence for the probe light in a limited interval of electric field values.

Beable-guided quantum theories: Generalizing quantum probability laws

NASA Astrophysics Data System (ADS)

Kent, Adrian

2013-02-01

Beable-guided quantum theories (BGQT) are generalizations of quantum theory, inspired by Bell's concept of beables. They modify the quantum probabilities for some specified set of fundamental events, histories, or other elements of quasiclassical reality by probability laws that depend on the realized configuration of beables. For example, they may define an additional probability weight factor for a beable configuration, independent of the quantum dynamics. Beable-guided quantum theories can be fitted to observational data to provide foils against which to compare explanations based on standard quantum theory. For example, a BGQT could, in principle, characterize the effects attributed to dark energy or dark matter, or any other deviation from the predictions of standard quantum dynamics, without introducing extra fields or a cosmological constant. The complexity of the beable-guided theory would then parametrize how far we are from a standard quantum explanation. Less conservatively, we give reasons for taking suitably simple beable-guided quantum theories as serious phenomenological theories in their own right. Among these are the possibility that cosmological models defined by BGQT might in fact fit the empirical data better than any standard quantum explanation, and the fact that BGQT suggest potentially interesting nonstandard ways of coupling quantum matter to gravity.

The coprime quantum chain

NASA Astrophysics Data System (ADS)

Mussardo, G.; Giudici, G.; Viti, J.

2017-03-01

In this paper we introduce and study the coprime quantum chain, i.e. a strongly correlated quantum system defined in terms of the integer eigenvalues n i of the occupation number operators at each site of a chain of length M. The n i ’s take value in the interval [2,q] and may be regarded as S z eigenvalues in the spin representation j  =  (q  -  2)/2. The distinctive interaction of the model is based on the coprimality matrix \\boldsymbolΦ : for the ferromagnetic case, this matrix assigns lower energy to configurations where occupation numbers n i and n i+1 of neighbouring sites share a common divisor, while for the anti-ferromagnetic case it assigns a lower energy to configurations where n i and n i+1 are coprime. The coprime chain, both in the ferro and anti-ferromagnetic cases, may present an exponential number of ground states whose values can be exactly computed by means of graph theoretical tools. In the ferromagnetic case there are generally also frustration phenomena. A fine tuning of local operators may lift the exponential ground state degeneracy and, according to which operators are switched on, the system may be driven into different classes of universality, among which the Ising or Potts universality class. The paper also contains an appendix by Don Zagier on the exact eigenvalues and eigenvectors of the coprimality matrix in the limit q\\to ∞ .

Electron Capture in Slow Collisions of Si4+ With Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-10-01

In recent years the charge transfer involving Si4+ and H at low energies has drawn considerable attention both theoretically and experimentally due to its importance not only in astronomical environments but also in modern semiconductor industries. Accurate information regarding its molecular structures and interactions are essential to understand the low energy collision dynamics. Ab initio calculations are performed using the multireference single- and double-excitation configuration-interaction (MRD-CI) method to evaluate potential energies. State selective cross sections are calculate using fully quantum and semi-classical molecular-orbital close coupling (MOCC) methods in the adiabatic representation. Detail results will be presented in the conference.

Classical field configurations and infrared slavery

NASA Astrophysics Data System (ADS)

Swanson, Mark S.

1987-09-01

The problem of determining the energy of two spinor particles interacting through massless-particle exchange is analyzed using the path-integral method. A form for the long-range interaction energy is obtained by analyzing an abridged vertex derived from the parent theory. This abridged vertex describes the radiation of zero-momentum particles by pointlike sources. A path-integral formalism for calculating the energy of the radiation field associated with this abridged vertex is developed and applications are made to determine the energy necessary for adiabatic separation of two sources in quantum electrodynamics and for an SU(2) Yang-Mills theory. The latter theory is shown to be consistent with confinement via infrared slavery.

Comparison of junctionless and inversion-mode p-type metal-oxide-semiconductor field-effect transistors in presence of hole-phonon interactions

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

Dib, E., E-mail: elias.dib@for.unipi.it; Carrillo-Nuñez, H.; Cavassilas, N.

Junctionless transistors are being considered as one of the alternatives to conventional metal-oxide field-effect transistors. In this work, it is then presented a simulation study of silicon double-gated p-type junctionless transistors compared with its inversion-mode counterpart. The quantum transport problem is solved within the non-equilibrium Green's function formalism, whereas hole-phonon interactions are tackled by means of the self-consistent Born approximation. Our findings show that junctionless transistors should perform as good as a conventional transistor only for ultra-thin channels, with the disadvantage of requiring higher supply voltages in thicker channel configurations.

Quantum entanglement and informational activities of biomolecules

NASA Astrophysics Data System (ADS)

Al-Shargi, Hanan; Berkovich, Simon

2009-03-01

Our model of holographic Universe [1] explains the surprising property of quantum entanglement and reveals its biological implications. The suggested holographic mechanism handles 2D slices of the physical world as a whole. Fitting this simple holistic process in the Procrustean bed of individual particles interactions leads to intricacies of quantum theory with an unintelligible protrusion of distant correlations. Holographic medium imposes dependence of quantum effects on absolute positioning. Testing this prediction for a non-exponential radioactive decay could resolutely point to outside ``memory.'' The essence of Life is in the sophistication of macromolecules. Distinctions in biological information processing of nucleotides in DNA and amino acids in proteins are related to entropies of their structures. Randomness of genetic configurations as exposed by their maximal entropy is characteristic of passive identification rather than active storage functionality. Structural redundancy of proteins shows their operability, of which different foldings of prions is most indicative. Folding of one prion can reshape another prion without a direct contact appearing like ``quantum entanglement,'' or ``teleportation.'' Testing the surmised influence of absolute orientation on the prion reshaping can uncover the latency effects in the ``mad cow'' disease. 1. Simon Berkovich, TR-GWU-CS-07-006, http://www.cs.gwu.edu/research/reports.php

Zero Quantum Coherence in a Series of Covalent Spin-Correlated Radical Pairs.

PubMed

Nelson, Jordan N; Krzyaniak, Matthew D; Horwitz, Noah E; Rugg, Brandon K; Phelan, Brian T; Wasielewski, Michael R

2017-03-23

Photoinitiated subnanosecond electron transfer within covalently linked electron donor-acceptor molecules can result in the formation of a spin-correlated radical pair (SCRP) with a well-defined initial singlet spin configuration. Subsequent coherent mixing between the SCRP singlet and triplet m s = 0 spin states, the so-called zero quantum coherence (ZQC), is of potential interest in quantum information processing applications because the ZQC can be probed using pulse electron paramagnetic resonance (pulse-EPR) techniques. Here, pulse-EPR spectroscopy is utilized to examine the ZQC oscillation frequencies and ZQC dephasing in three structurally well-defined D-A systems. While transitions between the singlet and triplet m s = 0 spin states are formally forbidden (Δm s = 0), they can be addressed using specific microwave pulse turning angles to map information from the ZQC onto observable single quantum coherences. In addition, by using structural variations to tune the singlet-triplet energy gap, the ZQC frequencies determined for this series of molecules indicate a stronger dependence on the electronic g-factor than on electron-nuclear hyperfine interactions.

Quantum-assisted biomolecular modelling.

PubMed

Harris, Sarah A; Kendon, Vivien M

2010-08-13

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not, in general, applicable to soft, chemically inhomogeneous systems. The configurational complexity of biomolecules means the entropic contribution to the free energy is a significant factor in their behaviour, requiring detailed dynamical calculations to fully evaluate. Computer simulations capable of taking all interatomic interactions into account are therefore vital. However, even with the best current supercomputing facilities, we are unable to capture enough of the most interesting aspects of their behaviour to properly understand how they work. This limits our ability to design new molecules, to treat diseases, for example. Progress in biomolecular simulation depends crucially on increasing the computing power available. Faster classical computers are in the pipeline, but these provide only incremental improvements. Quantum computing offers the possibility of performing huge numbers of calculations in parallel, when it becomes available. We discuss the current open questions in biomolecular simulation, how these might be addressed using quantum computation and speculate on the future importance of quantum-assisted biomolecular modelling.

Bose-Einstein Condensates in 1D Optical Lattices: Nonlinearity and Wannier-Stark Spectra

NASA Astrophysics Data System (ADS)

Arimondo, Ennio; Ciampini, Donatella; Morsch, Oliver

The development of powerful laser cooling and trapping techniques has made possible the controlled realization of dense and cold gaseous samples, thus opening the way for investigations in the ultracold temperature regimes not accessible with conventional techniques. A Bose-Einstein condensate (BEC) represents a peculiar gaseous state where all the particles reside in the same quantum mechanical state. Therefore BECs exhibit quantum mechanical phe-nomena on a macroscopic scale with a single quantum mechanical wavefunction describing the external degrees of freedom. That control of the external degrees of freedom is combined with a precise control of the internal degrees. The BEC investigation has become a very active area of research in contem-porary physics. The BEC study encompasses different subfields of physics, i.e., atomic and molecular physics, quantum optics, laser spectroscopy, solid state physics. Atomic physics and laser spectroscopy provide the methods for creating and manipulating the atomic and molecular BECs. However owing to the interactions between the particles composing the condensate and to the configuration of the external potential, concepts and methods from solid state physics are extensively used for BEC description.

Effective equations for the quantum pendulum from momentous quantum mechanics

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

Hernandez, Hector H.; Chacon-Acosta, Guillermo; Departamento de Matematicas Aplicadas y Sistemas, Universidad Autonoma Metropolitana-Cuajimalpa, Artificios 40, Mexico D. F. 01120

In this work we study the quantum pendulum within the framework of momentous quantum mechanics. This description replaces the Schroedinger equation for the quantum evolution of the system with an infinite set of classical equations for expectation values of configuration variables, and quantum dispersions. We solve numerically the effective equations up to the second order, and describe its evolution.

Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies

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

Podeszwa, Rafal; Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716; Szalewicz, Krzysztof

2012-04-28

Density-functional theory (DFT) revolutionized the ability of computational quantum mechanics to describe properties of matter and is by far the most often used method. However, all the standard variants of DFT fail to predict intermolecular interaction energies. In recent years, a number of ways to go around this problem has been proposed. We show that some of these approaches can reproduce interaction energies with median errors of only about 5% in the complete range of intermolecular configurations. Such errors are comparable to typical uncertainties of wave-function-based methods in practical applications. Thus, these DFT methods are expected to find broad applicationsmore » in modelling of condensed phases and of biomolecules.« less

Superradiant phase transition in a model of three-level-Λ systems interacting with two bosonic modes

NASA Astrophysics Data System (ADS)

Hayn, Mathias; Emary, Clive; Brandes, Tobias

2012-12-01

We consider an ensemble of three-level particles in Lambda configuration interacting with two bosonic modes. The Hamiltonian has the form of a generalized Dicke model. We show that in the thermodynamic limit this model supports a superradiant quantum phase transition. Remarkably, this can be both a first- and a second-order phase transition. A connection of the phase diagram to the symmetries of the Hamiltonian is also given. In addition, we show that this model can describe atoms interacting with an electromagnetic field in which the microscopic Hamiltonian includes a diamagnetic contribution. Even though the parameters of the atomic system respect the Thomas-Reiche-Kuhn sum rule, the system still shows a superradiant phase transition.

Electron capture in collisions of N^+ with H and H^+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2004-05-01

Charge transfer processes due to collisions of N^+ with atomic hydrogen and H^+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potential curves and nonadiabatic radial and rotational coupling matrix elements obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1-500 eV/u will be presented and compared with existing experimental and theoretical data.

Topology, Magnetic Field, and Strongly Interacting Matter

DOE PAGES

Kharzeev, Dmitri E.

2015-06-05

Gauge theories with compact symmetry groups possess topologically nontrivial configurations of gauge field. This characteristic has dramatic implications for the vacuum structure of quantum chromodynamics (QCD) and for the behavior of QCD plasma, as well as for condensed matter systems with chiral quasi-particles. Here, I review the current status of this problem with an emphasis both on the interplay between chirality and a background magnetic field and on the observable manifestations of topology in heavy-ion collisions, Dirac semimetals, neutron stars, and the early Universe.

Per-Olov Löwdin - father of quantum chemistry

NASA Astrophysics Data System (ADS)

Brändas, Erkki J.

2017-09-01

During 2016, we celebrate the 100th anniversary of the birth of Per-Olov Löwdin. He was appointed to the first Lehrstuhl in quantum chemistry at Uppsala University in 1960. Löwdin introduced quantum chemistry as a field in its own right by formulating its goals, establishing fundamental concepts, like the correlation energy, the method of configuration interaction, reduced density matrices, natural spin orbitals, charge and bond order matrices, symmetric orthogonalisation, and generalised self-consistent fields. His exposition of partitioning technique and perturbation theory, wave and reaction operators and associated non-linear summation techniques, introduced mathematical rigour and deductive order in the interpretative organisation of the new field. He brought the first computer to Uppsala University and pioneered the initiation of 'electronic brains' and anticipated their significance for quantum chemistry. Perhaps his single most influential contribution to the field was his education of two generations of future faculty in quantum chemistry through Summer Schools in the Scandinavian Mountains, Winter Institutes at Sanibel Island in the Gulf of Mexico. Per-Olov Löwdin founded the book series Advances in Quantum Chemistry and the International Journal of Quantum Chemistry. The evolution of quantum chemistry is appraised, starting from a collection of cross-disciplinary applications of quantum mechanics to the technologically advanced and predominant field of today, virtually used in all branches of chemistry. The scientific work of Per-Olov Löwdin has been crucial for the development of this new important province of science.

Enhancing Graphene Capacitance by Nitrogen: Effects of Doping Configuration and Concentration

DOE PAGES

Zhan, Cheng; Cummings, Peter; Jiang, De-en

2016-01-08

Recent experiments have shown that nitrogen doping enhances capacitance in carbon electrode supercapacitors. However, a detailed study of the effect of N-doping on capacitance is still lacking. In this paper, we study the doping concentration and the configuration effect on the electric double-layer (EDL) capacitance, quantum capacitance, and total capacitance. It is found that pyridinic and graphitic nitrogens can increase the total capacitance by increasing quantum capacitance, but pyrrolic configuration limits the total capacitance due to its much lower quantum capacitance than the other two configurations. We also find that, unlike the graphitic and pyridinic nitrogens, the pyrrolic configuration's quantummore » capacitance does not depend on the nitrogen concentration, which may explain why some capacitance versus voltage measurements of N-doped graphene exhibit a V-shaped curve similar to that of undoped graphene. Our investigation provides a deeper understanding of the capacitance enhancement of the N-doping effect in carbon electrodes and suggests a potentially effective way to optimize the capacitance by controlling the type of N-doping.« less

Quantum model for electro-optical amplitude modulation.

PubMed

Capmany, José; Fernández-Pousa, Carlos R

2010-11-22

We present a quantum model for electro-optic amplitude modulation, which is built upon quantum models of the main photonic components that constitute the modulator, that is, the guided-wave beamsplitter and the electro-optic phase modulator and accounts for all the different available modulator structures. General models are developed both for single and dual drive configurations and specific results are obtained for the most common configurations currently employed. Finally, the operation with two-photon input for the control of phase-modulated photons and the important topic of multicarrier modulation are also addressed.

Calculations of long-range three-body interactions for He(n0λS )-He(n0λS )-He(n0'λL )

NASA Astrophysics Data System (ADS)

Yan, Pei-Gen; Tang, Li-Yan; Yan, Zong-Chao; Babb, James F.

2018-04-01

We theoretically investigate long-range interactions between an excited L -state He atom and two identical S -state He atoms for the cases of the three atoms all in spin-singlet states or all in spin-triplet states, denoted by He(n0λS )-He(n0λS )-He(n0'λL ), with n0 and n0' principal quantum numbers, λ =1 or 3 the spin multiplicity, and L the orbital angular momentum of a He atom. Using degenerate perturbation theory for the energies up to second-order, we evaluate the coefficients C3 of the first-order dipolar interactions and the coefficients C6 and C8 of the second-order additive and nonadditive interactions. Both the dipolar and dispersion interaction coefficients, for these three-body degenerate systems, show dependences on the geometrical configurations of the three atoms. The nonadditive interactions start to appear in second-order. To demonstrate the results and for applications, the obtained coefficients Cn are evaluated with highly accurate variationally generated nonrelativistic wave functions in Hylleraas coordinates for He(1 1S ) -He(1 1S ) -He(2 1S ) , He(1 1S ) -He(1 1S ) -He(2 1P ) , He(2 1S ) -He(2 1S ) -He(2 1P ) , and He(2 3S ) -He(2 3S ) -He(2 3P ) . The calculations are given for three like nuclei for the cases of hypothetical infinite mass He nuclei, and of real finite mass 4He or 3He nuclei. The special cases of the three atoms in equilateral triangle configurations are explored in detail, and for the cases in which one of the atoms is in a P state, we also present results for the atoms in an isosceles right triangle configuration or in an equally spaced collinear configuration. The results can be applied to construct potential energy surfaces for three helium atom systems.

Loop Quantization and Symmetry: Configuration Spaces

NASA Astrophysics Data System (ADS)

Fleischhack, Christian

2018-06-01

Given two sets S 1, S 2 and unital C *-algebras A_1, A_2 of functions thereon, we show that a map {σ : {S}_1 \\longrightarrow {S}_2} can be lifted to a continuous map \\barσ : spec A_1 \\longrightarrow spec A_2 iff σ^\\ast A_2 := σ^\\ast f | f \\in A_2 \\subseteq A_1. Moreover, \\bar σ is unique if existing, and injective iff σ^\\ast A_2 is dense. Then, we apply these results to loop quantum gravity and loop quantum cosmology. For all usual technical conventions, we decide whether the cosmological quantum configuration space is embedded into the gravitational one; indeed, both are spectra of some C *-algebras, say, A_cosm and A_grav, respectively. Typically, there is no embedding, but one can always get an embedding by the defining A_cosm := C^\\ast(σ^\\ast A_grav), where {σ} denotes the embedding between the classical configuration spaces. Finally, we explicitly determine {C^\\ast(σ^\\ast A_grav) in the homogeneous isotropic case for A_grav generated by the matrix functions of parallel transports along analytic paths. The cosmological quantum configuration space so equals the disjoint union of R and the Bohr compactification of R, appropriately glued together.

Loop Quantization and Symmetry: Configuration Spaces

NASA Astrophysics Data System (ADS)

Fleischhack, Christian

2018-04-01

Given two sets S 1, S 2 and unital C *-algebras A_1, A_2 of functions thereon, we show that a map σ : S_1 \\longrightarrow S_2 can be lifted to a continuous map \\barσ : spec A_1 \\longrightarrow spec A_2 iff σ^\\ast A_2 := σ^\\ast f | f \\in A_2 \\subseteq A_1. Moreover, \\bar σ is unique if existing, and injective iff {σ^\\ast A_2 is dense. Then, we apply these results to loop quantum gravity and loop quantum cosmology. For all usual technical conventions, we decide whether the cosmological quantum configuration space is embedded into the gravitational one; indeed, both are spectra of some C *-algebras, say, A_cosm and A_grav, respectively. Typically, there is no embedding, but one can always get an embedding by the defining A_cosm := C^\\ast(σ^\\ast A_grav), where σ denotes the embedding between the classical configuration spaces. Finally, we explicitly determine C^\\ast(σ^\\ast A_grav) in the homogeneous isotropic case for A_grav generated by the matrix functions of parallel transports along analytic paths. The cosmological quantum configuration space so equals the disjoint union of R and the Bohr compactification of R , appropriately glued together.

Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

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

Shu, Yinan; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu; Hohenstein, Edward G.

2015-01-14

Multireference quantum chemical methods, such as the complete active space self-consistent field (CASSCF) method, have long been the state of the art for computing regions of potential energy surfaces (PESs) where complex, multiconfigurational wavefunctions are required, such as near conical intersections. Herein, we present a computationally efficient alternative to the widely used CASSCF method based on a complete active space configuration interaction (CASCI) expansion built from the state-averaged natural orbitals of configuration interaction singles calculations (CISNOs). This CISNO-CASCI approach is shown to predict vertical excitation energies of molecules with closed-shell ground states similar to those predicted by state averaged (SA)-CASSCFmore » in many cases and to provide an excellent reference for a perturbative treatment of dynamic electron correlation. Absolute energies computed at the CISNO-CASCI level are found to be variationally superior, on average, to other CASCI methods. Unlike SA-CASSCF, CISNO-CASCI provides vertical excitation energies which are both size intensive and size consistent, thus suggesting that CISNO-CASCI would be preferable to SA-CASSCF for the study of systems with multiple excitable centers. The fact that SA-CASSCF and some other CASCI methods do not provide a size intensive/consistent description of excited states is attributed to changes in the orbitals that occur upon introduction of non-interacting subsystems. Finally, CISNO-CASCI is found to provide a suitable description of the PES surrounding a biradicaloid conical intersection in ethylene.« less

Wavelength regulation in bacteriorhodopsin and halorhodopsin: A Pariser-Parr-Pople multireference double excitation configuration interaction study of retinal dyes

NASA Astrophysics Data System (ADS)

Grossjean, Michael F.; Tavan, Paul

1988-04-01

A Pariser-Parr-Pople (PPP) Hamiltonian is employed to study many-electron excitations in protonated and unprotonated retinal Schiff bases. Excited states are described by a multireference double excitation configuration interaction expansion (MRD-CI) and a simplified perturbational treatment. The effects of electron correlation on the spectra of retinal dyes are analyzed and compared with experimental data. It is shown that the spectra of retinal Schiff bases are much more sensitive to the effects of protonation and charge environment than previously assumed. Based on an analysis of observations the computational results demonstrate that varying counterion distance is the essential mechanism of wavelength regulation in the retinal proteins bacteriohodopsin (BR) and halorhodopsin (HR). Spectral properties of intermediates of the photocycles of BR and HR are predicted and it is shown that available spectroscopic data are compatible with a 13,14-cis model of these cycles. Independent evidence is provided that the quantum yield of photoisomerization in BR is 0.6.

Understanding Quantum Numbers in General Chemistry Textbooks

ERIC Educational Resources Information Center

Niaz, Mansoor; Fernandez, Ramon

2008-01-01

Quantum numbers and electron configurations form an important part of the general chemistry curriculum and textbooks. The objectives of this study are: (1) Elaboration of a framework based on the following aspects: (a) Origin of the quantum hypothesis, (b) Alternative interpretations of quantum mechanics, (c) Differentiation between an orbital and…

Tunable graphene quantum point contact transistor for DNA detection and characterization

PubMed Central

Girdhar, Anuj; Sathe, Chaitanya; Schulten, Klaus; Leburton, Jean-Pierre

2015-01-01

A graphene membrane conductor containing a nanopore in a quantum point contact (QPC) geometry is a promising candidate to sense, and potentially sequence, DNA molecules translocating through the nanopore. Within this geometry, the shape, size, and position of the nanopore as well as the edge configuration influences the membrane conductance caused by the electrostatic interaction between the DNA nucleotides and the nanopore edge. It is shown that the graphene conductance variations resulting from DNA translocation can be enhanced by choosing a particular geometry as well as by modulating the graphene Fermi energy, which demonstrates the ability to detect conformational transformations of a double-stranded DNA, as well as the passage of individual base pairs of a single-stranded DNA molecule through the nanopore. PMID:25765702

Single-photon superradiance and cooperative Lamb shift in an optoelectronic device (Conference Presentation)

NASA Astrophysics Data System (ADS)

Sirtori, Carlo

2017-02-01

Superradiance is one of the many fascinating phenomena predicted by quantum electrodynamics that have first been experimentally demonstrated in atomic systems and more recently in condensed matter systems like quantum dots, superconducting q-bits, cyclotron transitions and plasma oscillations in quantum wells (QWs). It occurs when a dense collection of N identical two-level emitters are phased via the exchange of photons, giving rise to enhanced light-matter interaction, hence to a faster emission rate. Of great interest is the regime where the ensemble interacts with one photon only and therefore all of the atoms, but one, are in the ground state. In this case the quantum superposition of all possible configurations produces a symmetric state that decays radiatively with a rate N times larger than that of the individual oscillators. This phenomenon, called single photon superradiance, results from the exchange of real photons among the N emitters. Yet, to single photon superradiance is also associated another collective effect that renormalizes the emission frequency, known as cooperative Lamb shift. In this work, we show that single photon superradiance and cooperative Lamb shift can be engineered in a semiconductor device by coupling spatially separated plasma resonances arising from the collective motion of confined electrons in QWs. These resonances hold a giant dipole along the growth direction z and have no mutual Coulomb coupling. They thus behave as a collection of macro-atoms on different positions along the z axis. Our device is therefore a test bench to simulate the low excitation regime of quantum electrodynamics.

Room-temperature quantum noise limited spectrometry and methods of the same

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

Stevens, Charles G.; Tringe, Joseph W.; Cunningham, Christopher T.

According to one embodiment, a heterodyne detection system for detecting light, includes: a first input aperture configured to receive first light from a scene input; a second input aperture configured to receive second light from a local oscillator input; a broadband local oscillator configured to provide the second light to the second input aperture; a dispersive element configured to disperse the first light and the second light; and a final condensing lens coupled to a detector. The final condensing lens is configured to concentrate incident light from a primary condensing lens onto the detector. The detector is configured to sensemore » a frequency difference between the first light and the second light; and the final condensing lens comprises a plasmonic condensing lens. Methods for forming a plasmonic condensing lens to enable room temperature quantum noise limited spectrometry are also disclosed.« less

Chromophores in phenylenevinylene-based conjugated polymers: role of conformational kinks and chemical defects.

PubMed

Hennebicq, Emmanuelle; Deleener, Caroline; Brédas, Jean-Luc; Scholes, Gregory D; Beljonne, David

2006-08-07

The influence of chemical defects and conformational kinks on the nature of the lowest electronic excitations in phenylenevinylene-based polymers is assessed at the semiempirical quantum-chemical level. The amount of excited-state localization and the amplitude of through-space (Coulomb-like) versus through-bond (charge-transfer-like) interactions have been quantified by comparing the results provided by excitonic and supermolecular models. While excitation delocalization among conjugated segments delineated by the defects occurs in the acceptor configuration, self-confinement on individual chromophores follows from geometric relaxation in the excited-state donor configuration. The extent of excited-state localization is found to be sensitive to both the nature of the defect and the length of the conjugated chains. Implications for resonant energy transfer along conjugated polymer chains are discussed.

One-electron pseudo-potential investigation of NO(X2Π)-Arn clusters (n = 1,2,3,4)

NASA Astrophysics Data System (ADS)

Hammami, H.; Ben Mohamed, F. E.; Mohamed, D.; Ben El Hadj Rhouma, M.; Al Mogren, M. M.; Hochlaf, M.

2017-10-01

In this work, we investigate the minimal energy and low-lying isomers of the ground state of NOArn clusters using a hybrid pseudo-potential model, where a single electron quantum description is combined with the classical argon-argon pair potential and an expansion in terms of the Legendre polynomials. In such model, we use two centres of polarisation for NO+, where we considered for each nuclear configuration an analytic dipole polarisation for N+ and O+. The reliability of our model is checked by comparison of the NO(X2Π)-Ar potential energy surface with that deduced using the multireference configuration interaction (MRCI+Q) approach. The results of this formalism agree quite well with the MRCI ones over a wide range of nuclear arrangements.

The dissociation energy of N2

NASA Technical Reports Server (NTRS)

Almloef, Jan; Deleeuw, Bradley J.; Taylor, Peter R.; Bauschlicher, Charles W., Jr.; Siegbahn, Per

1989-01-01

The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.

Time-dependent quantum chemistry of laser driven many-electron molecules

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

Nguyen-Dang, Thanh-Tung; Couture-Bienvenue, Étienne; Viau-Trudel, Jérémy

2014-12-28

A Time-Dependent Configuration Interaction approach using multiple Feshbach partitionings, corresponding to multiple ionization stages of a laser-driven molecule, has recently been proposed [T.-T. Nguyen-Dang and J. Viau-Trudel, J. Chem. Phys. 139, 244102 (2013)]. To complete this development toward a fully ab-initio method for the calculation of time-dependent electronic wavefunctions of an N-electron molecule, we describe how tools of multiconfiguration quantum chemistry such as the management of the configuration expansion space using Graphical Unitary Group Approach concepts can be profitably adapted to the new context, that of time-resolved electronic dynamics, as opposed to stationary electronic structure. The method is applied tomore » calculate the detailed, sub-cycle electronic dynamics of BeH{sub 2}, treated in a 3–21G bound-orbital basis augmented by a set of orthogonalized plane-waves representing continuum-type orbitals, including its ionization under an intense λ = 800 nm or λ = 80 nm continuous-wave laser field. The dynamics is strongly non-linear at the field-intensity considered (I ≃ 10{sup 15} W/cm{sup 2}), featuring important ionization of an inner-shell electron and strong post-ionization bound-electron dynamics.« less

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

Spagnolo, Nicolo; Consorzio Interuniversitario per le Scienze Fisiche della Materia, piazzale Aldo Moro 5, I-00185 Roma; Sciarrino, Fabio

We show that the quantum states generated by universal optimal quantum cloning of a single photon represent a universal set of quantum superpositions resilient to decoherence. We adopt the Bures distance as a tool to investigate the persistence of quantum coherence of these quantum states. According to this analysis, the process of universal cloning realizes a class of quantum superpositions that exhibits a covariance property in lossy configuration over the complete set of polarization states in the Bloch sphere.

Deep-Subwavelength Resolving and Manipulating of Hidden Chirality in Achiral Nanostructures.

PubMed

Zu, Shuai; Han, Tianyang; Jiang, Meiling; Lin, Feng; Zhu, Xing; Fang, Zheyu

2018-04-24

The chiral state of light plays a vital role in light-matter interactions and the consequent revolution of nanophotonic devices and advanced modern chiroptics. As the light-matter interaction goes into the nano- and quantum world, numerous chiroptical technologies and quantum devices require precise knowledge of chiral electromagnetic modes and chiral radiative local density of states (LDOS) distributions in detail, which directly determine the chiral light-matter interaction for applications such as chiral light detection and emission. With classical optical techniques failing to directly measure the chiral radiative LDOS, deep-subwavelength imaging and control of circular polarization (CP) light associated phenomena are introduced into the agenda. Here, we simultaneously reveal the hidden chiral electromagnetic mode and acquire its chiral radiative LDOS distribution of a single symmetric nanostructure at the deep-subwavelength scale by using CP-resolved cathodoluminescence (CL) microscopy. The chirality of the symmetric nanostructure under normally incident light excitation, resulting from the interference between the symmetric and antisymmetric modes of the V-shaped nanoantenna, is hidden in the near field with a giant chiral distribution (∼99%) at the arm-ends, which enables the circularly polarized CL emission from the radiative LDOS hot-spot and the following active helicity control at the deep-subwavelength scale. The proposed V-shaped nanostructure as a functional unit is further applied to the helicity-dependent binary encoding and the two-dimensional display applications. The proposed physical principle and experimental configuration can promote the future chiral characterization and manipulation at the deep-subwavelength scale and provide direct guidelines for the optimization of chiral light-matter interactions for future quantum studies.

Low bias negative differential conductance and reversal of current in coupled quantum dots in different topological configurations

NASA Astrophysics Data System (ADS)

Devi, Sushila; Brogi, B. B.; Ahluwalia, P. K.; Chand, S.

2018-06-01

Electronic transport through asymmetric parallel coupled quantum dot system hybridized between normal leads has been investigated theoretically in the Coulomb blockade regime by using Non-Equilibrium Green Function formalism. A new decoupling scheme proposed by Rabani and his co-workers has been adopted to close the chain of higher order Green's functions appearing in the equations of motion. For resonant tunneling case; the calculations of current and differential conductance have been presented during transition of coupled quantum dot system from series to symmetric parallel configuration. It has been found that during this transition, increase in current and differential conductance of the system occurs. Furthermore, clear signatures of negative differential conductance and negative current appear in series case, both of which disappear when topology of system is tuned to asymmetric parallel configuration.

Independent variations of applied voltage and injection current for controlling the quantum-confined Stark effect in an InGaN/GaN quantum-well light-emitting diode.

PubMed

Chen, Horng-Shyang; Liu, Zhan Hui; Shih, Pei-Ying; Su, Chia-Ying; Chen, Chih-Yen; Lin, Chun-Han; Yao, Yu-Feng; Kiang, Yean-Woei; Yang, C C

2014-04-07

A reverse-biased voltage is applied to either device in the vertical configuration of two light-emitting diodes (LEDs) grown on patterned and flat Si (110) substrates with weak and strong quantum-confined Stark effects (QCSEs), respectively, in the InGaN/GaN quantum wells for independently controlling the applied voltage across and the injection current into the p-i-n junction in the lateral configuration of LED operation. The results show that more carrier supply is needed in the LED of weaker QCSE to produce a carrier screening effect for balancing the potential tilt in increasing the forward-biased voltage, when compared with the LED of stronger QCSE. The small spectral shift range in increasing injection current in the LED of weaker QCSE is attributed not only to the weaker QCSE, but also to its smaller device resistance such that a given increment of applied voltage leads to a larger increment of injection current. From a viewpoint of practical application in LED operation, by applying a reverse-biased voltage in the vertical configuration, the applied voltage and injection current in the lateral configuration can be independently controlled by adjusting the vertical voltage for keeping the emission spectral peak fixed.

Bound states for an induced electric dipole in the presence of an azimuthal magnetic field and a disclination

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

Bakke, K.

2010-09-15

Based on the Wei-Han-Wei setup [H. Wei, R. Han, and X. Wei, Phys. Rev. Lett. 75, 2071 (1995)], where a neutral particle with an induced electric dipole moment interacts with a configuration of crossed electric and magnetic fields, in this paper we study the bound states that arise when we change the Wei-Han-Wei field configuration and consider a field configuration of crossed azimuthal magnetic field and a radial electric field. Moreover, we consider here a spin-half neutral particle and the presence of a linear topological defect called disclination. We obtain the bound states in two distinct cases: in the firstmore » case, we consider that the wave function of the neutral particle is well-behaved at the origin and vanishes at the asymptotic limit; in the second case, we consider the neutral particle confined to a parabolic potential like a quantum dot.« less

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

PubMed

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

2015-09-28

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

NASA Astrophysics Data System (ADS)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

2015-09-01

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Intersystem-crossing and phosphorescence rates in fac-Ir(III)(ppy)3: a theoretical study involving multi-reference configuration interaction wavefunctions.

PubMed

Kleinschmidt, Martin; van Wüllen, Christoph; Marian, Christel M

2015-03-07

We have employed combined density functional theory and multi-reference configuration interaction methods including spin-orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy)3). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin-orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin-orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy)3 is C3 symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy)3. For the S1↝T1 non-radiative transition, we compute a rate constant of kISC = 6.9 × 10(12) s(-1) which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T1 state, the T1 → S0 transition densities are localized on one of the phenylpyridyl moieties. In our best quantum chemical model, we obtain phosphorescence decay times of 264 μs, 13 μs, and 0.9 μs, respectively, for the T1,I, T1,II, and T1,III fine-structure levels in dichloromethane (DCM) solution. In addition to reproducing the correct orders of magnitude for the individual phosphorescence emission probabilities, our theoretical study gives insight into the underlying mechanisms. In terms of intensity borrowing from spin-allowed transitions, the low emission probability of the T1,I substate is caused by the mutual cancellation of contributions from several singlet states to the total transition dipole moment. Their contributions do not cancel but add up in case of the much faster T1,III → S0 emission while the T1,II → S0 emission is dominated by intensity borrowing from a single spin-allowed process, i.e., the S2 → S0 transition.

Software-defined network abstractions and configuration interfaces for building programmable quantum networks

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

Dasari, Venkat; Sadlier, Ronald J; Geerhart, Mr. Billy

Well-defined and stable quantum networks are essential to realize functional quantum applications. Quantum networks are complex and must use both quantum and classical channels to support quantum applications like QKD, teleportation, and superdense coding. In particular, the no-cloning theorem prevents the reliable copying of quantum signals such that the quantum and classical channels must be highly coordinated using robust and extensible methods. We develop new network abstractions and interfaces for building programmable quantum networks. Our approach leverages new OpenFlow data structures and table type patterns to build programmable quantum networks and to support quantum applications.

Probing Long-Range Configurations of Molecular Hydrogen

NASA Astrophysics Data System (ADS)

McCormack, Elizabeth

2011-05-01

Very long-range molecular configurations are of interest in a variety of contexts, for example, in the astro-chemistry of cold molecular clouds and in planetary atmospheres, including our own. Such states can be more than 10 times the size of the ground state and often possess energies above multiple ionization potentials and dissociation limits resulting in diverse and complex decay dynamics. Many of these configurations possess a double-well character arising from the interaction of molecular Rydberg states, repulsive doubly-excited states, and ionic states. The ion pair in hydrogen, an unusual molecular configuration consisting of one proton shrouded in a cloud of two electrons separated very far from the other proton, is notoriously difficult to create and study. We report results from on our investigation of such states using resonantly enhanced multi-photon ionization via the E,F v = 6, J = 0, 1, and 2 states to probe the H(n = 1) + H(n = 3) dissociation threshold energy region. Both molecular and atomic ion production were detected as a function of wavelength by using a time-of-flight mass spectrometer. Below threshold a series of highly excited vibrational levels of several long range states are observed. Above threshold broad resonances are observed with energies that agree well with the predictions of a mass-scaled Rydberg formula for bound states of the H+ H- ion pair. Measured linewidths, quantum defects, and rotational dependences are reported for ion pair principal quantum numbers in the range of n = 130 to 206. Our new results can be compared to recent experimental work using a different excitation scheme, which was the first spectroscopic observation of heavy Rydberg states in hydrogen, and new ab initio theoretical work. Supported by the National Science Foundation.

Intersecting surface defects and instanton partition functions

NASA Astrophysics Data System (ADS)

Pan, Yiwen; Peelaers, Wolfger

2017-07-01

We analyze intersecting surface defects inserted in interacting four-dimensional N=2 supersymmetric quantum field theories. We employ the realization of a class of such systems as the infrared fixed points of renormalization group flows from larger theories, triggered by perturbed Seiberg-Witten monopole-like configurations, to compute their partition functions. These results are cast into the form of a partition function of 4d/2d/0d coupled systems. Our computations provide concrete expressions for the instanton partition function in the presence of intersecting defects and we study the corresponding ADHM model.

Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule

NASA Astrophysics Data System (ADS)

Takayanagi, Toshiyuki; Suzuki, Kento; Yoshida, Takahiko; Kita, Yukiumi; Tachikawa, Masanori

2017-05-01

We present computational results of vibrationally enhanced positron annihilation in the e+ + HCN/DCN collisions within a local complex potential model. Vibrationally elastic and inelastic cross sections and effective annihilation rates were calculated by solving a time-dependent complex-potential Schrödinger equation under the ab initio potential energy surface for the positron attached HCN molecule, [HCN; e+], with multi-component configuration interaction level (Kita and Tachikawa, 2014). We discuss the effect of vibrational excitation on the positron affinities from the obtained vibrational resonance features.

Ground-state configurations and theoretical soft-x-ray emission of highly charged actinide ions

NASA Astrophysics Data System (ADS)

Sheil, J.; Kilbane, D.; O'Sullivan, G.; Liu, L.; Suzuki, C.

2017-12-01

It is well known that the lanthanide and actinide elements are formed by the filling of 4 f and 5 f subshells which occurs after the filling of 5 d and 6 d subshells, respectively, has begun. With increasing ionization one expects the energy levels to eventually regroup to their hydrogenic ordering, i.e., in terms of principal quantum number. In the lanthanides, the 4 f electron binding energy overtakes that of 5 p near the 6th or 7th ion stage and 5 s near the 14th or 15th ion stage, leading to dramatic rearrangements of ground-state configurations. In this paper we report on the results of a study to explore the effects of increasing ionization on the ground-state configurations of actinide ions as a result of 5 f and 6 p or 6 s level crossings. It is seen that the effects generally occur later and are more strongly influenced by spin-orbit splitting than in the lanthanides. The near degeneracies of 5 f and 6 l energies in these stages lead to configuration interaction (CI) amongst configurations with variable numbers of 5 f and 6 p electrons. The effects of CI on the level complexity are explored for ions along the Rn I sequence and are found to lead to the formation of "compound states" as predicted for the lanthanides. The extreme ultraviolet and soft x-ray spectra of medium and highly charged lanthanides are dominated by emission from unresolved transition arrays (UTAs) of the type Δ n =0 , 4 p64 dN +1-4 p54 dN +2+4 p64 dN4 f , which, in general, overlap in adjacent ion stages of a particular element. Here, the corresponding Δ n =0 , 5 p65 dN +1-5 p55 dN +2+5 p65 dN5 f UTAs have been studied theoretically with the aid of Hartree-Fock with configuration interaction calculations. As well as predicting the wavelengths and spectral details of the anticipated features, the calculations show that the effects of configuration interaction are quite different for the two different families of Δ n =0 transitions and, once more, spin-orbit interactions play a major role.

Hanle model of a spin-orbit coupled Bose-Einstein condensate of excitons in semiconductor quantum wells

NASA Astrophysics Data System (ADS)

Andreev, S. V.; Nalitov, A. V.

2018-04-01

We present a theoretical model of a driven-dissipative spin-orbit coupled Bose-Einstein condensate of indirect excitons in semiconductor quantum wells (QW's). Our steady-state solution of the problem shares analogies with the Hanle effect in an optical orientation experiment. The role of the spin pump in our case is played by Bose-stimulated scattering into a linearly-polarized ground state and the depolarization occurs as a result of exchange interaction between electrons and holes. Our theory agrees with the recent experiment [A. A. High et al., Phys. Rev. Lett. 110, 246403 (2013), 10.1103/PhysRevLett.110.246403], where spontaneous emergence of spatial coherence and polarization textures have been observed. As a complementary test, we discuss a configuration where an external magnetic field is applied in the structure plane.

Entanglement and magnetism in high-spin graphene nanodisks

NASA Astrophysics Data System (ADS)

Hagymási, I.; Legeza, Ö.

2018-01-01

We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate many-body techniques since the widely used density-functional theory with local density approximation or Hartree-Fock methods cannot handle the strong quantum fluctuations. Applying the unbiased density-matrix renormalization group algorithm we calculate the magnetization and entanglement patterns with high accuracy for different interaction strengths and compare them to the mean-field results. With the help of quantum information analysis and subsystem density matrices we reveal that the edges are strongly entangled with each other. We also address the effect of electron and hole doping and demonstrate that the magnetic properties of triangular nanoflakes can be controlled by an electric field, which reveals features of flat-band ferromagnetism. This may open up new avenues in graphene based spintronics.

Spectroscopic properties of the molecular ions BeX+ (X=Na, K, Rb): forming cold molecular ions from an ion-atom mixture by stimulated Raman adiabatic process

NASA Astrophysics Data System (ADS)

Ladjimi, Hela; Sardar, Dibyendu; Farjallah, Mohamed; Alharzali, Nisrin; Naskar, Somnath; Mlika, Rym; Berriche, Hamid; Deb, Bimalendu

2018-07-01

In this theoretical work, we calculate potential energy curves, spectroscopic parameters and transition dipole moments of molecular ions BeX+ (X=Na, K, Rb) composed of alkaline ion Be and alkali atom X with a quantum chemistry approach based on the pseudopotential model, Gaussian basis sets, effective core polarisation potentials and full configuration interaction. We study in detail collisions of the alkaline ion and alkali atom in quantum regime. Besides, we study the possibility of the formation of molecular ions from the ion-atom colliding systems by stimulated Raman adiabatic process and discuss the parameters regime under which the population transfer is feasible. Our results are important for ion-atom cold collisions and experimental realisation of cold molecular ion formation.

Invariant Connections in Loop Quantum Gravity

NASA Astrophysics Data System (ADS)

Hanusch, Maximilian

2016-04-01

Given a group {G}, and an abelian {C^*}-algebra {A}, the antihomomorphisms {Θ\\colon G→ {Aut}(A)} are in one-to-one with those left actions {Φ\\colon G× {Spec}(A)→ {Spec}(A)} whose translation maps {Φ_g} are continuous; whereby continuities of {Θ} and {Φ} turn out to be equivalent if {A} is unital. In particular, a left action {φ\\colon G × X→ X} can be uniquely extended to the spectrum of a {C^*}-subalgebra {A} of the bounded functions on {X} if {φ_g^*(A)subseteq A} holds for each {gin G}. In the present paper, we apply this to the framework of loop quantum gravity. We show that, on the level of the configuration spaces, quantization and reduction in general do not commute, i.e., that the symmetry-reduced quantum configuration space is (strictly) larger than the quantized configuration space of the reduced classical theory. Here, the quantum-reduced space has the advantage to be completely characterized by a simple algebraic relation, whereby the quantized reduced classical space is usually hard to compute.

Experimental realization of quantum cheque using a five-qubit quantum computer

NASA Astrophysics Data System (ADS)

Behera, Bikash K.; Banerjee, Anindita; Panigrahi, Prasanta K.

2017-12-01

Quantum cheques could be a forgery-free way to make transaction in a quantum networked banking system with perfect security against any no-signalling adversary. Here, we demonstrate the implementation of quantum cheque, proposed by Moulick and Panigrahi (Quantum Inf Process 15:2475-2486, 2016), using the five-qubit IBM quantum computer. Appropriate single qubit, CNOT and Fredkin gates are used in an optimized configuration. The accuracy of implementation is checked and verified through quantum state tomography by comparing results from the theoretical and experimental density matrices.

Detecting coupling of Majorana bound states with an Aharonov-Bohm interferometer

NASA Astrophysics Data System (ADS)

Ramos-Andrade, J. P.; Orellana, P. A.; Ulloa, S. E.

2018-01-01

We study the transport properties of an interferometer composed by a quantum dot (QD) coupled with two normal leads and two one-dimensional topological superconductor nanowires (TNWs) hosting Majorana bound states (MBS) at their ends. The geometry considered is such that one TNW has both ends connected with the QD, forming an Aharonov-Bohm (AB) interferometer threaded by an external magnetic flux, while the other TNW is placed near the interferometer TNW. This geometry can alternatively be seen as a long wire contacted across a local defect, with possible coupling between independent-MBS. We use the Green’s function formalism to calculate the conductance across normal current leads on the QD. We find that the conductance exhibits a half-quantum value regardless of the AB phase and location of the dot energy level, whenever the interferometer configuration interacts with the neighboring TNW. These findings suggest that such a geometry could be used for a sensitive detection of MBS interactions across TNWs, exploiting the high sensitivity of conductance to the AB phase in the interferometer.

Ultrafast optical modification of exchange interactions in iron oxides

NASA Astrophysics Data System (ADS)

Mikhaylovskiy, R. V.; Hendry, E.; Secchi, A.; Mentink, J. H.; Eckstein, M.; Wu, A.; Pisarev, R. V.; Kruglyak, V. V.; Katsnelson, M. I.; Rasing, Th.; Kimel, A. V.

2015-09-01

Ultrafast non-thermal manipulation of magnetization by light relies on either indirect coupling of the electric field component of the light with spins via spin-orbit interaction or direct coupling between the magnetic field component and spins. Here we propose a scenario for coupling between the electric field of light and spins via optical modification of the exchange interaction, one of the strongest quantum effects with strength of 103 Tesla. We demonstrate that this isotropic opto-magnetic effect, which can be called inverse magneto-refraction, is allowed in a material of any symmetry. Its existence is corroborated by the experimental observation of terahertz emission by spin resonances optically excited in a broad class of iron oxides with a canted spin configuration. From its strength we estimate that a sub-picosecond modification of the exchange interaction by laser pulses with fluence of about 1 mJ cm-2 acts as a pulsed effective magnetic field of 0.01 Tesla.

Demystifying Introductory Chemistry. Part 1: Electron Configurations from Experiment.

ERIC Educational Resources Information Center

Gillespie, Ronald J.; And Others

1996-01-01

Presents suggestions for alternative presentations of some of the material that usually forms part of the introductory chemistry course. Emphasizes development of concepts from experimental results. Discusses electronic configurations and quantum numbers, experimental evidence for electron configurations, deducing the shell model from the periodic…

Software-defined network abstractions and configuration interfaces for building programmable quantum networks

NASA Astrophysics Data System (ADS)

Dasari, Venkat R.; Sadlier, Ronald J.; Geerhart, Billy E.; Snow, Nikolai A.; Williams, Brian P.; Humble, Travis S.

2017-05-01

Well-defined and stable quantum networks are essential to realize functional quantum communication applications. Quantum networks are complex and must use both quantum and classical channels to support quantum applications like QKD, teleportation, and superdense coding. In particular, the no-cloning theorem prevents the reliable copying of quantum signals such that the quantum and classical channels must be highly coordinated using robust and extensible methods. In this paper, we describe new network abstractions and interfaces for building programmable quantum networks. Our approach leverages new OpenFlow data structures and table type patterns to build programmable quantum networks and to support quantum applications.

Electron-phonon interaction in efficient perovskite blue emitters

NASA Astrophysics Data System (ADS)

Gong, Xiwen; Voznyy, Oleksandr; Jain, Ankit; Liu, Wenjia; Sabatini, Randy; Piontkowski, Zachary; Walters, Grant; Bappi, Golam; Nokhrin, Sergiy; Bushuyev, Oleksandr; Yuan, Mingjian; Comin, Riccardo; McCamant, David; Kelley, Shana O.; Sargent, Edward H.

2018-06-01

Low-dimensional perovskites have—in view of their high radiative recombination rates—shown great promise in achieving high luminescence brightness and colour saturation. Here we investigate the effect of electron-phonon interactions on the luminescence of single crystals of two-dimensional perovskites, showing that reducing these interactions can lead to bright blue emission in two-dimensional perovskites. Resonance Raman spectra and deformation potential analysis show that strong electron-phonon interactions result in fast non-radiative decay, and that this lowers the photoluminescence quantum yield (PLQY). Neutron scattering, solid-state NMR measurements of spin-lattice relaxation, density functional theory simulations and experimental atomic displacement measurements reveal that molecular motion is slowest, and rigidity greatest, in the brightest emitter. By varying the molecular configuration of the ligands, we show that a PLQY up to 79% and linewidth of 20 nm can be reached by controlling crystal rigidity and electron-phonon interactions. Designing crystal structures with electron-phonon interactions in mind offers a previously underexplored avenue to improve optoelectronic materials' performance.

Atomic scale behavior of oxygen-based radicals in water

NASA Astrophysics Data System (ADS)

Verlackt, C. C. W.; Neyts, E. C.; Bogaerts, A.

2017-03-01

Cold atmospheric pressure plasmas in and in contact with liquids represent a growing field of research for various applications. Understanding the interactions between the plasma generated species and the liquid is crucial. In this work we perform molecular dynamics (MD) simulations based on a quantum mechanical method, i.e. density-functional based tight-binding (DFTB), to examine the interactions of OH radicals and O atoms in bulk water. Our calculations reveal that the transport of OH radicals through water is not only governed by diffusion, but also by an equilibrium reaction of H-abstraction with water molecules. Furthermore, when two OH radicals encounter each other, they either form a stable cluster, or react, resulting in the formation of a new water molecule and an O atom. In addition, the O atoms form either oxywater (when in singlet configuration) or they remain stable in solution (when in triplet configuration), stressing the important role that O atoms can play in aqueous solution, and in contact with biomolecules. Our observations are in line with both experimental and ab initio results from the literature.

Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo

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

Kersten, J. A. F., E-mail: jennifer.kersten@cantab.net; Alavi, Ali, E-mail: a.alavi@fkf.mpg.de; Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart

2016-08-07

The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger equation within a finite orbital basis set, without relying on an expansion about a reference state. However, a drawback to the approach is that being based on an expansion of Slater determinants, the FCIQMC method suffers from a basis set incompleteness error that decays very slowly with the size of the employed single particle basis. The FCIQMC results obtained in a small basis set can be improved significantly with explicitly correlated techniques. Here, we present a study that assesses andmore » compares two contrasting “universal” explicitly correlated approaches that fit into the FCIQMC framework: the [2]{sub R12} method of Kong and Valeev [J. Chem. Phys. 135, 214105 (2011)] and the explicitly correlated canonical transcorrelation approach of Yanai and Shiozaki [J. Chem. Phys. 136, 084107 (2012)]. The former is an a posteriori internally contracted perturbative approach, while the latter transforms the Hamiltonian prior to the FCIQMC simulation. These comparisons are made across the 55 molecules of the G1 standard set. We found that both methods consistently reduce the basis set incompleteness, for accurate atomization energies in small basis sets, reducing the error from 28 mE{sub h} to 3-4 mE{sub h}. While many of the conclusions hold in general for any combination of multireference approaches with these methodologies, we also consider FCIQMC-specific advantages of each approach.« less

Structure, dynamics and bifurcations of discrete solitons in trapped ion crystals

NASA Astrophysics Data System (ADS)

Landa, H.; Reznik, B.; Brox, J.; Mielenz, M.; Schaetz, T.

2013-09-01

We study discrete solitons (kinks) accessible in the state-of-the-art trapped ion experiments, considering zigzag crystals and quasi-three-dimensional configurations, both theoretically and experimentally. We first extend the theoretical understanding of different phenomena predicted and recently experimentally observed in the structure and dynamics of these topological excitations. Employing tools from topological degree theory, we analyze bifurcations of crystal configurations in dependence on the trapping parameters, and investigate the formation of kink configurations and the transformations of kinks between different structures. This allows us to accurately define and calculate the effective potential experienced by solitons within the Wigner crystal, and study how this (so-called Peierls-Nabarro) potential gets modified to a non-periodic globally trapping potential in certain parameter regimes. The kinks' rest mass (energy) and spectrum of modes are computed and the dynamics of linear and nonlinear kink oscillations are analyzed. We also present novel, experimentally observed, configurations of kinks incorporating a large-mass defect realized by an embedded molecular ion, and of pairs of interacting kinks stable for long times, offering the perspective for exploring and exploiting complex collective nonlinear excitations, controllable on the quantum level.

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

Herbrych, Jacek W.; Feiguin, Adrian E.; Dagotto, Elbio R.

Here, we present a time-dependent density-matrix renormalization group investigation of the quantum distillation process within the Fermi-Hubbard model on a quasi-one-dimensional ladder geometry. The term distillation refers to the dynamical, spatial separation of singlons and doublons in the sudden expansion of interacting particles in an optical lattice, i.e., the release of a cloud of atoms from a trapping potential. Remarkably, quantum distillation can lead to a contraction of the doublon cloud, resulting in an increased density of the doublons in the core region compared to the initial state. As a main result, we show that this phenomenon is not limitedmore » to chains that were previously studied. Interestingly, there are additional dynamical processes on the two-leg ladder such as density oscillations and self-trapping of defects that lead to a less efficient distillation process. An investigation of the time evolution starting from product states provides an explanation for this behavior. Initial product states are also considered since in optical lattice experiments, such states are often used as the initial setup. We propose configurations that lead to a fast and efficient quantum distillation.« less

Mapping the Braiding Properties of Non-Abelian FQHE Liquids.

NASA Astrophysics Data System (ADS)

Prodan, Emil; Haldane, F. D. M.

2007-03-01

Non-Abelian FQHE (NAFQHE) states have elementary excitations that cannot be individually locally-created. When widely separated, they give rise to topological (quasi-)degeneracy of the quantum states; braiding of such non-Abelian quasiparticles (NAQP's) implements unitary transformations among the degenerate states that may be useful for ``topological quantum computing'' (TQC). We have developed a new technique for explicit computation of NAQP braiding in models exhibiting ideal NAFQHE behavior (where the topological degeneracy is exact), in particular the Moore-Read ν = 5/2 state. For systems of small numbers of NAQP's on a sphere, we have computed the non-Abelian Berry curvature and Hilbert space metric, as one NAQP is moved relative to a fixed configuration of the others, showing how the topological properties develop as the system size (NAQP separation) increases. We also studied the effect of perturbations (Coulomb interaction and substrate potentials) that lift the exact degeneracy, and become the dominant corrections when NAQP's are brought together so that quantum measurements can be made; these effects are likely to be crucial in determining whether TQC is viable in NAFQHE systems.

Three-Dimensional Control of Self-Assembled Quantum Dot Configurations

DTIC Science & Technology

2010-06-17

Lateral Quantum Dot Molecules Around Self-Assembled Nanoholes . Appl. Phys. Lett. 2003, 82, 2892–2894. 7. Alonso-Gonzalez, P.; Martin-Sanchez, J.; Gonzalez...Y.; Alen, B.; Fuster, D.; Gonzalez, L. Formation of Lateral Low Density In(Ga)As Quantum Dot Pairs in GaAs Nanoholes . Cryst. Growth Des. 2009, 9

Efimov-driven phase transitions of the unitary Bose gas.

PubMed

Piatecki, Swann; Krauth, Werner

2014-03-20

Initially predicted in nuclear physics, Efimov trimers are bound configurations of three quantum particles that fall apart when any one of them is removed. They open a window into a rich quantum world that has become the focus of intense experimental and theoretical research, as the region of 'unitary' interactions, where Efimov trimers form, is now accessible in cold-atom experiments. Here we use a path-integral Monte Carlo algorithm backed up by theoretical arguments to show that unitary bosons undergo a first-order phase transition from a normal gas to a superfluid Efimov liquid, bound by the same effects as Efimov trimers. A triple point separates these two phases and another superfluid phase, the conventional Bose-Einstein condensate, whose coexistence line with the Efimov liquid ends in a critical point. We discuss the prospects of observing the proposed phase transitions in cold-atom systems.

Nonperturbative Treatment of non-Markovian Dynamics of Open Quantum Systems

NASA Astrophysics Data System (ADS)

Tamascelli, D.; Smirne, A.; Huelga, S. F.; Plenio, M. B.

2018-01-01

We identify the conditions that guarantee equivalence of the reduced dynamics of an open quantum system (OQS) for two different types of environments—one a continuous bosonic environment leading to a unitary system-environment evolution and the other a discrete-mode bosonic environment resulting in a system-mode (nonunitary) Lindbladian evolution. Assuming initial Gaussian states for the environments, we prove that the two OQS dynamics are equivalent if both the expectation values and two-time correlation functions of the environmental interaction operators are the same at all times for the two configurations. Since the numerical and analytical description of a discrete-mode environment undergoing a Lindbladian evolution is significantly more efficient than that of a continuous bosonic environment in a unitary evolution, our result represents a powerful, nonperturbative tool to describe complex and possibly highly non-Markovian dynamics. As a special application, we recover and generalize the well-known pseudomodes approach to open-system dynamics.

Magnetic field fluctuations analysis for the ion trap implementation of the quantum Rabi model in the deep strong coupling regime

NASA Astrophysics Data System (ADS)

Puebla, Ricardo; Casanova, Jorge; Plenio, Martin B.

2018-03-01

The dynamics of the quantum Rabi model (QRM) in the deep strong coupling regime is theoretically analyzed in a trapped-ion set-up. Recognizably, the main hallmark of this regime is the emergence of collapses and revivals, whose faithful observation is hindered under realistic magnetic dephasing noise. Here, we discuss how to attain a faithful implementation of the QRM in the deep strong coupling regime which is robust against magnetic field fluctuations and at the same time provides a large tunability of the simulated parameters. This is achieved by combining standing wave laser configuration with continuous dynamical decoupling. In addition, we study the role that amplitude fluctuations play to correctly attain the QRM using the proposed method. In this manner, the present work further supports the suitability of continuous dynamical decoupling techniques in trapped-ion settings to faithfully realize different interacting dynamics.

Projective limits of state spaces II. Quantum formalism

NASA Astrophysics Data System (ADS)

Lanéry, Suzanne; Thiemann, Thomas

2017-06-01

In this series of papers, we investigate the projective framework initiated by Kijowski (1977) and Okołów (2009, 2014, 2013), which describes the states of a quantum theory as projective families of density matrices. A short reading guide to the series can be found in Lanéry (2016). After discussing the formalism at the classical level in a first paper (Lanéry, 2017), the present second paper is devoted to the quantum theory. In particular, we inspect in detail how such quantum projective state spaces relate to inductive limit Hilbert spaces and to infinite tensor product constructions (Lanéry, 2016, subsection 3.1) [1]. Regarding the quantization of classical projective structures into quantum ones, we extend the results by Okołów (2013), that were set up in the context of linear configuration spaces, to configuration spaces given by simply-connected Lie groups, and to holomorphic quantization of complex phase spaces (Lanéry, 2016, subsection 2.2) [1].

Overcoming correlation fluctuations in two-photon interference experiments with differently bright and independently blinking remote quantum emitters

NASA Astrophysics Data System (ADS)

Weber, Jonas H.; Kettler, Jan; Vural, Hüseyin; Müller, Markus; Maisch, Julian; Jetter, Michael; Portalupi, Simone L.; Michler, Peter

2018-05-01

As a fundamental building block for quantum computation and communication protocols, the correct verification of the two-photon interference (TPI) contrast between two independent quantum light sources is of utmost importance. Here, we experimentally demonstrate how frequently present blinking dynamics and changes in emitter brightness critically affect the Hong-Ou-Mandel-type (HOM) correlation histograms of remote TPI experiments measured via the commonly utilized setup configuration. We further exploit this qualitative and quantitative explanation of the observed correlation dynamics to establish an alternative interferometer configuration, which is overcoming the discussed temporal fluctuations, giving rise to an error-free determination of the remote TPI visibility. We prove full knowledge of the obtained correlation by reproducing the measured correlation statistics via Monte Carlo simulations. As an exemplary system, we make use of two pairs of remote semiconductor quantum dots; however, the same conclusions apply for TPI experiments with flying qubits from any kind of remote solid-state quantum emitters.

Timeless Configuration Space and the Emergence of Classical Behavior

NASA Astrophysics Data System (ADS)

Gomes, Henrique

2018-06-01

The inherent difficulty in talking about quantum decoherence in the context of quantum cosmology is that decoherence requires subsystems, and cosmology is the study of the whole Universe. Consistent histories gave a possible answer to this conundrum, by phrasing decoherence as loss of interference between alternative histories of closed systems. When one can apply Boolean logic to a set of histories, it is deemed `consistent'. However, the vast majority of the sets of histories that are merely consistent are blatantly nonclassical in other respects, and further constraints than just consistency need to be invoked. In this paper, I attempt to give an alternative answer to the issues faced by consistent histories, by exploring a timeless interpretation of quantum mechanics of closed systems. This is done solely in terms of path integrals in non-relativistic, timeless, configuration space. What prompts a fresh look at such foundational problems in this context is the advent of multiple gravitational models in which Lorentz symmetry is not fundamental, but only emergent. And what allows this approach to overcome previous barriers to a timeless, conditional probabilities interpretation of quantum mechanics is the new notion of records—made possible by an inherent asymmetry of configuration space. I outline and explore consequences of this approach for foundational issues of quantum mechanics, such as the natural emergence of the Born rule, conservation of probabilities, and the Sleeping Beauty paradox.

Exponential energy growth due to slow parameter oscillations in quantum mechanical systems.

PubMed

Turaev, Dmitry

2016-05-01

It is shown that a periodic emergence and destruction of an additional quantum number leads to an exponential growth of energy of a quantum mechanical system subjected to a slow periodic variation of parameters. The main example is given by systems (e.g., quantum billiards and quantum graphs) with periodically divided configuration space. In special cases, the process can also lead to a long period of cooling that precedes the acceleration, and to the desertion of the states with a particular value of the quantum number.

A tunable few electron triple quantum dot

NASA Astrophysics Data System (ADS)

Gaudreau, L.; Kam, A.; Granger, G.; Studenikin, S. A.; Zawadzki, P.; Sachrajda, A. S.

2009-11-01

In this paper, we report on a tunable few electron lateral triple quantum dot design. The quantum dot potentials are arranged in series. The device is aimed at studies of triple quantum dot properties where knowing the exact number of electrons is important as well as quantum information applications involving electron spin qubits. We demonstrate tuning strategies for achieving required resonant conditions such as quadruple points where all three quantum dots are on resonance. We find that in such a device resonant conditions at specific configurations are accompanied by complex charge transfer behavior.

Analog Landau-He-McKellar-Wilkens quantization due to noninertial effects of the Fermi-Walker reference frame

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

Bakke, Knut

2010-05-15

We will show that when a neutral particle with permanent electric dipole moment interacts with a specific field configuration when the local reference frames of the observers are Fermi-Walker transported, the Landau quantization analog to the He-McKellar-Wilkens setup arises in the nonrelativistic quantum dynamics of the neutral particle due the noninertial effects of the Fermi-Walker reference frame. We show that the noninertial effects do not break the infinity degeneracy of the energy levels, but in this case, the cyclotron frequency depends on the angular velocity.

Teleportation of entangled states without Bell-state measurement via a two-photon process

NASA Astrophysics Data System (ADS)

dSouza, A. D.; Cardoso, W. B.; Avelar, A. T.; Baseia, B.

2011-02-01

In this letter we propose a scheme using a two-photon process to teleport an entangled field state of a bimodal cavity to another one without Bell-state measurement. The quantum information is stored in a zero- and two-photon entangled state. This scheme requires two three-level atoms in a ladder configuration, two bimodal cavities, and selective atomic detectors. The fidelity and success probability do not depend on the coefficients of the state to be teleported. For convenient choices of interaction times, the teleportation occurs with fidelity close to the unity.

Streptothricin derivatives from Streptomyces sp. I08A 1776.

PubMed

Gan, Maoluo; Zheng, Xudong; Gan, Lishe; Guan, Yan; Hao, Xueqin; Liu, Yishuang; Si, Shuyi; Zhang, Yuqin; Yu, Liyan; Xiao, Chunling

2011-05-27

Five new streptothricin derivatives with a carbamoyl group substituted at C-12 (1-5) and three known analogues have been isolated from the culture broth of Streptomyces sp. I08A 1776 by ion exchange and hydrophilic interaction chromatographic techniques. Their structures were determined by spectroscopic and chemical methods. Compound 3 was a streptothricin derivative possessing a cis-streptolidine moiety. Its absolute configuration was defined by comparison of quantum chemical TDDFT calculated and experimental ECD spectra. Compound 5 and streptothricin E (6) displayed antibacterial and antifungal activity with MIC values in the range 1-64 μg/mL.

Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo

DOE PAGES

Blunt, Nick S.; Neuscamman, Eric

2017-11-16

We present a simple and efficient wave function ansatz for the treatment of excited charge-transfer states in real-space quantum Monte Carlo methods. Using the recently-introduced variation-after-response method, this ansatz allows a crucial orbital optimization step to be performed beyond a configuration interaction singles expansion, while only requiring calculation of two Slater determinant objects. As a result, we demonstrate this ansatz for the illustrative example of the stretched LiF molecule, for a range of excited states of formaldehyde, and finally for the more challenging ethylene-tetrafluoroethylene molecule.

Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

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

Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de; Wüllen, Christoph van

2015-03-07

We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the timemore » correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the phenylpyridyl moieties. In our best quantum chemical model, we obtain phosphorescence decay times of 264 μs, 13 μs, and 0.9 μs, respectively, for the T{sub 1,I}, T{sub 1,II}, and T{sub 1,III} fine-structure levels in dichloromethane (DCM) solution. In addition to reproducing the correct orders of magnitude for the individual phosphorescence emission probabilities, our theoretical study gives insight into the underlying mechanisms. In terms of intensity borrowing from spin-allowed transitions, the low emission probability of the T{sub 1,I} substate is caused by the mutual cancellation of contributions from several singlet states to the total transition dipole moment. Their contributions do not cancel but add up in case of the much faster T{sub 1,III} → S{sub 0} emission while the T{sub 1,II} → S{sub 0} emission is dominated by intensity borrowing from a single spin-allowed process, i.e., the S{sub 2} → S{sub 0} transition.« less

A linear triple quantum dot system in isolated configuration

NASA Astrophysics Data System (ADS)

Flentje, Hanno; Bertrand, Benoit; Mortemousque, Pierre-André; Thiney, Vivien; Ludwig, Arne; Wieck, Andreas D.; Bäuerle, Christopher; Meunier, Tristan

2017-06-01

The scaling up of electron spin qubit based nanocircuits has remained challenging up till date and involves the development of efficient charge control strategies. Here, we report on the experimental realization of a linear triple quantum dot in a regime isolated from the reservoir. We show how this regime can be reached with a fixed number of electrons. Charge stability diagrams of the one, two, and three electron configurations where only electron exchange between the dots is allowed are observed. They are modeled with the established theory based on a capacitive model of the dot systems. The advantages of the isolated regime with respect to experimental realizations of quantum simulators and qubits are discussed. We envision that the results presented here will make more manipulation schemes for existing qubit implementations possible and will ultimately allow to increase the number of tunnel coupled quantum dots which can be simultaneously controlled.

Quantum gravity in timeless configuration space

NASA Astrophysics Data System (ADS)

Gomes, Henrique

2017-12-01

On the path towards quantum gravity we find friction between temporal relations in quantum mechanics (QM) (where they are fixed and field-independent), and in general relativity (where they are field-dependent and dynamic). This paper aims to attenuate that friction, by encoding gravity in the timeless configuration space of spatial fields with dynamics given by a path integral. The framework demands that boundary conditions for this path integral be uniquely given, but unlike other approaches where they are prescribed—such as the no-boundary and the tunneling proposals—here I postulate basic principles to identify boundary conditions in a large class of theories. Uniqueness arises only if a reduced configuration space can be defined and if it has a profoundly asymmetric fundamental structure. These requirements place strong restrictions on the field and symmetry content of theories encompassed here; shape dynamics is one such theory. When these constraints are met, any emerging theory will have a Born rule given merely by a particular volume element built from the path integral in (reduced) configuration space. Also as in other boundary proposals, Time, including space-time, emerges as an effective concept; valid for certain curves in configuration space but not assumed from the start. When some such notion of time becomes available, conservation of (positive) probability currents ensues. I show that, in the appropriate limits, a Schrödinger equation dictates the evolution of weakly coupled source fields on a classical gravitational background. Due to the asymmetry of reduced configuration space, these probabilities and currents avoid a known difficulty of standard WKB approximations for Wheeler DeWitt in minisuperspace: the selection of a unique Hamilton–Jacobi solution to serve as background. I illustrate these constructions with a simple example of a full quantum gravitational theory (i.e. not in minisuperspace) for which the formalism is applicable, and give a formula for calculating gravitational semi-classical relative probabilities in it.

Quantum Corral Wave-function Engineering

NASA Astrophysics Data System (ADS)

Correa, Alfredo; Reboredo, Fernando; Balseiro, Carlos

2005-03-01

We present a theoretical method for the design and optimization of quantum corrals[1] with specific electronic properties. Taking advantage that spins are subject to a RKKY interaction that is directly controlled by the scattering of the quantum corral, we design corral structures that reproduce spin Hamiltonians with coupling constants determined a priori[2]. We solve exactly the bi-dimensional scattering problem for each corral configuration within the s-wave approximation[3] and subsequently the geometry of the quantum corral is optimized by means of simulated annealing[4] and genetic algorithms[5]. We demonstrate the possibility of automatic design of structures with complicated target electronic properties[6]. This work was performed under the auspices of the US Department of Energy by the University of California at the LLNL under contract no W-7405-Eng-48. [1] M. F. Crommie, C. P. Lutz and D. M. Eigler, Nature 403, 512 (2000) [2] D. P. DiVincenzo et al., Nature 408, 339 (2000) [3] G. A. Fiete and E. J. Heller, Rev. Mod. Phys. 75, 933 (2003) [4] M. R. A. T. N. Metropolis et al., J. Chem. Phys. 1087 (1953) [5] E. Aarts and J. K. Lenstra, eds. Local search in combinatorial problems (Princeton University Press, 1997) [6] A. A. Correa, F. Reboredo and C. Balseiro, Phys. Rev. B (in press).

The Nonlinear Field Space Theory

NASA Astrophysics Data System (ADS)

Mielczarek, Jakub; Trześniewski, Tomasz

2016-08-01

In recent years the idea that not only the configuration space of particles, i.e. spacetime, but also the corresponding momentum space may have nontrivial geometry has attracted significant attention, especially in the context of quantum gravity. The aim of this letter is to extend this concept to the domain of field theories, by introducing field spaces (i.e. phase spaces of field values) that are not affine spaces. After discussing the motivation and general aspects of our approach we present a detailed analysis of the prototype (quantum) Nonlinear Field Space Theory of a scalar field on the Minkowski background. We show that the nonlinear structure of a field space leads to numerous interesting predictions, including: non-locality, generalization of the uncertainty relations, algebra deformations, constraining of the maximal occupation number, shifting of the vacuum energy and renormalization of the charge and speed of propagation of field excitations. Furthermore, a compact field space is a natural way to implement the ;Principle of finiteness; of physical theories, which once motivated the Born-Infeld theory. Thus the presented framework has a variety of potential applications in the theories of fundamental interactions (e.g. quantum gravity), as well as in condensed matter physics (e.g. continuous spin chains), and can shed new light on the issue of divergences in quantum field theories.

Algorithms Bridging Quantum Computation and Chemistry

NASA Astrophysics Data System (ADS)

McClean, Jarrod Ryan

The design of new materials and chemicals derived entirely from computation has long been a goal of computational chemistry, and the governing equation whose solution would permit this dream is known. Unfortunately, the exact solution to this equation has been far too expensive and clever approximations fail in critical situations. Quantum computers offer a novel solution to this problem. In this work, we develop not only new algorithms to use quantum computers to study hard problems in chemistry, but also explore how such algorithms can help us to better understand and improve our traditional approaches. In particular, we first introduce a new method, the variational quantum eigensolver, which is designed to maximally utilize the quantum resources available in a device to solve chemical problems. We apply this method in a real quantum photonic device in the lab to study the dissociation of the helium hydride (HeH+) molecule. We also enhance this methodology with architecture specific optimizations on ion trap computers and show how linear-scaling techniques from traditional quantum chemistry can be used to improve the outlook of similar algorithms on quantum computers. We then show how studying quantum algorithms such as these can be used to understand and enhance the development of classical algorithms. In particular we use a tool from adiabatic quantum computation, Feynman's Clock, to develop a new discrete time variational principle and further establish a connection between real-time quantum dynamics and ground state eigenvalue problems. We use these tools to develop two novel parallel-in-time quantum algorithms that outperform competitive algorithms as well as offer new insights into the connection between the fermion sign problem of ground states and the dynamical sign problem of quantum dynamics. Finally we use insights gained in the study of quantum circuits to explore a general notion of sparsity in many-body quantum systems. In particular we use developments from the field of compressed sensing to find compact representations of ground states. As an application we study electronic systems and find solutions dramatically more compact than traditional configuration interaction expansions, offering hope to extend this methodology to challenging systems in chemical and material design.

Born Oppenheimer potential energy for interaction of antihydrogen with molecular hydrogen

NASA Astrophysics Data System (ADS)

Strasburger, Krzysztof

2005-09-01

Inelastic collisions with hydrogen molecules are claimed to be an important channel of antihydrogen (\\overlineH) losses (Armour and Zeman 1999 Int. J. Quantum Chem. 74 645). In the present work, interaction energies for the H_{2}\\--\\overlineH system in the ground state have been calculated within the Born-Oppenheimer approximation. The leptonic problem was solved variationally with the basis of explicitly correlated Gaussian functions. The geometry of H2 was fixed at equilibrium geometry and the \\overlineH atom approached the molecule from two directions—along or perpendicularly to the bond axis. Purely attractive potential energy curve has been obtained for the first nuclear configuration, while a local maximum (lower than the energy at infinite separation) has been found for the second one.

Expected number of quantum channels in quantum networks.

PubMed

Chen, Xi; Wang, He-Ming; Ji, Dan-Tong; Mu, Liang-Zhu; Fan, Heng

2015-07-15

Quantum communication between nodes in quantum networks plays an important role in quantum information processing. Here, we proposed the use of the expected number of quantum channels as a measure of the efficiency of quantum communication for quantum networks. This measure quantified the amount of quantum information that can be teleported between nodes in a quantum network, which differs from classical case in that the quantum channels will be consumed if teleportation is performed. We further demonstrated that the expected number of quantum channels represents local correlations depicted by effective circles. Significantly, capacity of quantum communication of quantum networks quantified by ENQC is independent of distance for the communicating nodes, if the effective circles of communication nodes are not overlapped. The expected number of quantum channels can be enhanced through transformations of the lattice configurations of quantum networks via entanglement swapping. Our results can shed lights on the study of quantum communication in quantum networks.

Expected number of quantum channels in quantum networks

PubMed Central

Chen, Xi; Wang, He-Ming; Ji, Dan-Tong; Mu, Liang-Zhu; Fan, Heng

2015-01-01

Quantum communication between nodes in quantum networks plays an important role in quantum information processing. Here, we proposed the use of the expected number of quantum channels as a measure of the efficiency of quantum communication for quantum networks. This measure quantified the amount of quantum information that can be teleported between nodes in a quantum network, which differs from classical case in that the quantum channels will be consumed if teleportation is performed. We further demonstrated that the expected number of quantum channels represents local correlations depicted by effective circles. Significantly, capacity of quantum communication of quantum networks quantified by ENQC is independent of distance for the communicating nodes, if the effective circles of communication nodes are not overlapped. The expected number of quantum channels can be enhanced through transformations of the lattice configurations of quantum networks via entanglement swapping. Our results can shed lights on the study of quantum communication in quantum networks. PMID:26173556

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

PubMed

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

2013-09-12

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

Quantum networks in divergence-free circuit QED

NASA Astrophysics Data System (ADS)

Parra-Rodriguez, A.; Rico, E.; Solano, E.; Egusquiza, I. L.

2018-04-01

Superconducting circuits are one of the leading quantum platforms for quantum technologies. With growing system complexity, it is of crucial importance to develop scalable circuit models that contain the minimum information required to predict the behaviour of the physical system. Based on microwave engineering methods, divergent and non-divergent Hamiltonian models in circuit quantum electrodynamics have been proposed to explain the dynamics of superconducting quantum networks coupled to infinite-dimensional systems, such as transmission lines and general impedance environments. Here, we study systematically common linear coupling configurations between networks and infinite-dimensional systems. The main result is that the simple Lagrangian models for these configurations present an intrinsic natural length that provides a natural ultraviolet cutoff. This length is due to the unavoidable dressing of the environment modes by the network. In this manner, the coupling parameters between their components correctly manifest their natural decoupling at high frequencies. Furthermore, we show the requirements to correctly separate infinite-dimensional coupled systems in local bases. We also compare our analytical results with other analytical and approximate methods available in the literature. Finally, we propose several applications of these general methods to analogue quantum simulation of multi-spin-boson models in non-perturbative coupling regimes.

Light-matter interaction in the strong coupling regime: configurations, conditions, and applications.

PubMed

Dovzhenko, D S; Ryabchuk, S V; Rakovich, Yu P; Nabiev, I R

2018-02-22

Resonance interaction between a molecular transition and a confined electromagnetic field can reach the coupling regime where coherent exchange of energy between light and matter becomes reversible. In this case, two new hybrid states separated in energy are formed instead of independent eigenstates, which is known as Rabi splitting. This modification of the energy spectra of the system offers new possibilities for controlled impact on various fundamental properties of coupled matter (such as the rate of chemical reactions and the conductivity of organic semiconductors). To date, the strong coupling regime has been demonstrated in many configurations under different ambient conditions. However, there is still no comprehensive approach to determining parameters for achieving the strong coupling regime for a wide range of practical applications. In this review, a detailed analysis of various systems and corresponding conditions for reaching strong coupling is carried out and their advantages and disadvantages, as well as the prospects for application, are considered. The review also summarizes recent experiments in which the strong coupling regime has led to new interesting results, such as the possibility of collective strong coupling between X-rays and matter excitation in a periodic array of Fe isotopes, which extends the applications of quantum optics; a strong amplification of the Raman scattering signal from a coupled system, which can be used in surface-enhanced and tip-enhanced Raman spectroscopy; and more efficient second-harmonic generation from the low polaritonic state, which is promising for nonlinear optics. The results reviewed demonstrate great potential for further practical applications of strong coupling in the fields of photonics (low-threshold lasers), quantum communications (switches), and biophysics (molecular fingerprinting).

Optical Fiber Sensing Using Quantum Dots

PubMed Central

Jorge, Pedro; Martins, Manuel António; Trindade, Tito; Santos, José Luís; Farahi, Faramarz

2007-01-01

Recent advances in the application of semiconductor nanocrystals, or quantum dots, as biochemical sensors are reviewed. Quantum dots have unique optical properties that make them promising alternatives to traditional dyes in many luminescence based bioanalytical techniques. An overview of the more relevant progresses in the application of quantum dots as biochemical probes is addressed. Special focus will be given to configurations where the sensing dots are incorporated in solid membranes and immobilized in optical fibers or planar waveguide platforms. PMID:28903308

Interaction of Water-Soluble CdTe Quantum Dots with Bovine Serum Albumin

PubMed Central

2011-01-01

Semiconductor nanoparticles (quantum dots) are promising fluorescent markers, but it is very little known about interaction of quantum dots with biological molecules. In this study, interaction of CdTe quantum dots coated with thioglycolic acid (TGA) with bovine serum albumin was investigated. Steady state spectroscopy, atomic force microscopy, electron microscopy and dynamic light scattering methods were used. It was explored how bovine serum albumin affects stability and spectral properties of quantum dots in aqueous media. CdTe–TGA quantum dots in aqueous solution appeared to be not stable and precipitated. Interaction with bovine serum albumin significantly enhanced stability and photoluminescence quantum yield of quantum dots and prevented quantum dots from aggregating. PMID:27502633

Ultrafast optical modification of exchange interactions in iron oxides

PubMed Central

Mikhaylovskiy, R.V.; Hendry, E.; Secchi, A.; Mentink, J.H.; Eckstein, M.; Wu, A.; Pisarev, R.V.; Kruglyak, V.V.; Katsnelson, M.I.; Rasing, Th.; Kimel, A.V.

2015-01-01

Ultrafast non-thermal manipulation of magnetization by light relies on either indirect coupling of the electric field component of the light with spins via spin-orbit interaction or direct coupling between the magnetic field component and spins. Here we propose a scenario for coupling between the electric field of light and spins via optical modification of the exchange interaction, one of the strongest quantum effects with strength of 103 Tesla. We demonstrate that this isotropic opto-magnetic effect, which can be called inverse magneto-refraction, is allowed in a material of any symmetry. Its existence is corroborated by the experimental observation of terahertz emission by spin resonances optically excited in a broad class of iron oxides with a canted spin configuration. From its strength we estimate that a sub-picosecond modification of the exchange interaction by laser pulses with fluence of about 1 mJ cm−2 acts as a pulsed effective magnetic field of 0.01 Tesla. PMID:26373688

Ultrafast optical modification of exchange interactions in iron oxides.

PubMed

Mikhaylovskiy, R V; Hendry, E; Secchi, A; Mentink, J H; Eckstein, M; Wu, A; Pisarev, R V; Kruglyak, V V; Katsnelson, M I; Rasing, Th; Kimel, A V

2015-09-16

Ultrafast non-thermal manipulation of magnetization by light relies on either indirect coupling of the electric field component of the light with spins via spin-orbit interaction or direct coupling between the magnetic field component and spins. Here we propose a scenario for coupling between the electric field of light and spins via optical modification of the exchange interaction, one of the strongest quantum effects with strength of 10(3) Tesla. We demonstrate that this isotropic opto-magnetic effect, which can be called inverse magneto-refraction, is allowed in a material of any symmetry. Its existence is corroborated by the experimental observation of terahertz emission by spin resonances optically excited in a broad class of iron oxides with a canted spin configuration. From its strength we estimate that a sub-picosecond modification of the exchange interaction by laser pulses with fluence of about 1 mJ cm(-2) acts as a pulsed effective magnetic field of 0.01 Tesla.

Nature of Interlayer Binding and Stacking of sp–sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

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

Shin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung

α-graphyne is a two-dimensional sheet of sp-sp2 hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that is different from that of graphene. Similar to graphene, α-graphyne can be stacked in bilayers with two stable configurations, but the different stackings have very different electronic structures: one is predicted to have gapless parabolic bands and the other a tunable bandgap which is attractive for applications. In order to realize applications, it is crucial to understand which stacking is more stable. This is difficult tomore » model, as the stability is a result of weak interlayer van der Waals interactions which are not well captured by density functional theory (DFT). We have used quantum Monte Carlo simulations that accurately include van der Waals interactions to calculate the interlayer binding energy of bilayer graphyne and to determine its most stable stacking mode. Our results show that inter-layer bindings of sp- and sp2-bonded carbon networks are significantly underestimated in a Kohn-Sham DFT approach, even with an exchange-correlation potential corrected to include, in some approximation, van der Waals interactions. Finally, our quantum Monte Carlo calculations reveal that the interlayer binding energy difference between the two stacking modes is only 0.9(4) eV/atom. From this we conclude that the two stable stacking modes of bilayer α-graphyne are almost degenerate with each other, and both will occur with about the same probability at room temperature unless there is a synthesis path that prefers one stacking over the other.« less

Nature of Interlayer Binding and Stacking of sp–sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

DOE PAGES

Shin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung; ...

2017-10-25

α-graphyne is a two-dimensional sheet of sp-sp2 hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that is different from that of graphene. Similar to graphene, α-graphyne can be stacked in bilayers with two stable configurations, but the different stackings have very different electronic structures: one is predicted to have gapless parabolic bands and the other a tunable bandgap which is attractive for applications. In order to realize applications, it is crucial to understand which stacking is more stable. This is difficult tomore » model, as the stability is a result of weak interlayer van der Waals interactions which are not well captured by density functional theory (DFT). We have used quantum Monte Carlo simulations that accurately include van der Waals interactions to calculate the interlayer binding energy of bilayer graphyne and to determine its most stable stacking mode. Our results show that inter-layer bindings of sp- and sp2-bonded carbon networks are significantly underestimated in a Kohn-Sham DFT approach, even with an exchange-correlation potential corrected to include, in some approximation, van der Waals interactions. Finally, our quantum Monte Carlo calculations reveal that the interlayer binding energy difference between the two stacking modes is only 0.9(4) eV/atom. From this we conclude that the two stable stacking modes of bilayer α-graphyne are almost degenerate with each other, and both will occur with about the same probability at room temperature unless there is a synthesis path that prefers one stacking over the other.« less

On the design of experiments for the study of extreme field limits in the ultra-relativistic interaction of electromagnetic waves with plasmas

NASA Astrophysics Data System (ADS)

Bulanov, Sergei V.; Esirkepov, Timur Z.; Hayashi, Yukio; Kando, Masaki; Kiriyama, Hiromitsu; Koga, James K.; Kondo, Kiminori; Kotaki, Hideyuki; Pirozhkov, Alexander S.; Bulanov, Stepan S.; Zhidkov, Alexei G.; Chen, Pisin; Neely, David; Kato, Yoshiaki; Narozhny, Nikolay B.; Korn, Georg

2011-06-01

The critical electric field of quantum electrodynamics, called also the Schwinger field, is so strong that it produces electron-positron pairs from vacuum, converting the energy of light into matter. Since the dawn of quantum electrodynamics, there has been a dream on how to reach it on Earth. With the rise of laser technology this field has become feasible through the construction of extremely high power lasers or/and with the sophisticated use of nonlinear processes in relativistic plasmas. This is one of the most attractive motivations for extremely high power laser development, i.e. producing matter from vacuum by pure light in fundamental process of quantum electrodynamics in the nonperturbative regime. Recently it has been realized that a laser with intensity well below the Schwinger limit can create an avalanche of electron-positron pairs similar to a discharge before attaining the Schwinger field. It has also been realized that the Schwinger limit can be reached using an appropriate configuration of laser beams. In experiments on the collision of laser light and high intensity electromagnetic pulses generated by relativistic flying mirrors, with electron bunches produced by a conventional accelerator and with laser wake field accelerated electrons the studying of extreme field limits in the nonlinear interaction of electromagnetic waves is proposed. The regimes of dominant radiation reaction, which completely changes the electromagnetic wave-matter interaction, will be revealed. This will result in a new powerful source of high brightness gamma-rays. A possibility of the demonstration of the electronpositron pair creation in vacuum via multi-photon processes can be realized. This will allow modeling under terrestrial laboratory conditions neutron star magnetospheres, cosmological gamma ray bursts and the Leptonic Era of the Universe.

Spectroscopy of Tb3+ ions in monoclinic KLu(WO4)2 crystal application of an intermediate configuration interaction theory

NASA Astrophysics Data System (ADS)

Loiko, Pavel; Volokitina, Anna; Mateos, Xavier; Dunina, Elena; Kornienko, Alexey; Vilejshikova, Elena; Aguiló, Magdalena; Díaz, Francesc

2018-04-01

The spectroscopic properties of Tb3+ ions in monoclinic KLu(WO4)2 double tungstate crystal are studied with polarized light. The absorption spectra in the visible, near- and mid-IR including the transitions to all lower-lying 7FJ (J = 0 … 5) excited states are measured. The maximum absorption cross-section for the 7F6 → 5D4 transition is 3.42 × 10-21 cm2 at 486.7 nm for light polarization E || Nm. The transition probabilities for Tb3+ ions are calculated within the Judd-Ofelt theory modified for the case of an intermediate configuration interaction (ICI). The radiative lifetime of the 5D4 state is 450 μs and the luminescence quantum yield is >90%. The polarized stimulated-emission cross-section spectra for all 5D4 → 7FJ (J = 0 … 6) emission channels are evaluated. The maximum σSE is 11.4 × 10-21 cm2 at 549.4 nm (for E || Nm). Tb3+:KLu(WO4)2 features high transition cross-sections for polarized light being promising for color-tunable visible lasers and imaging.

Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy.

PubMed

Bytautas, Laimutis; Henderson, Thomas M; Jiménez-Hoyos, Carlos A; Ellis, Jason K; Scuseria, Gustavo E

2011-07-28

We explore the concept of seniority number (defined as the number of unpaired electrons in a determinant) when applied to the problem of electron correlation in atomic and molecular systems. Although seniority is a good quantum number only for certain model Hamiltonians (such as the pairing Hamiltonian), we show that it provides a useful partitioning of the electronic full configuration interaction (FCI) wave function into rapidly convergent Hilbert subspaces whose weight diminishes as its seniority number increases. The primary focus of this study is the adequate description of static correlation effects. The examples considered are the ground states of the helium, beryllium, and neon atoms, the symmetric dissociation of the N(2) and CO(2) molecules, as well as the symmetric dissociation of an H(8) hydrogen chain. It is found that the symmetry constraints that are normally placed on the spatial orbitals greatly affect the convergence rate of the FCI expansion. The energy relevance of the seniority zero sector (determinants with all paired electrons) increases dramatically if orbitals of broken spatial symmetry (as those commonly used for Hubbard Hamiltonian studies) are allowed in the wave function construction. © 2011 American Institute of Physics

Quantum dynamics modeled by interacting trajectories

NASA Astrophysics Data System (ADS)

Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

2018-03-01

We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

Quantum transport modelling of silicon nanobeams using heterogeneous computing scheme

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

Harb, M., E-mail: harbm@physics.mcgill.ca; Michaud-Rioux, V., E-mail: vincentm@physics.mcgill.ca; Guo, H., E-mail: guo@physics.mcgill.ca

We report the development of a powerful method for quantum transport calculations of nanowire/nanobeam structures with large cross sectional area. Our approach to quantum transport is based on Green's functions and tight-binding potentials. A linear algebraic formulation allows us to harness the massively parallel nature of Graphics Processing Units (GPUs) and our implementation is based on a heterogeneous parallel computing scheme with traditional processors and GPUs working together. Using our software tool, the electronic and quantum transport properties of silicon nanobeams with a realistic cross sectional area of ∼22.7 nm{sup 2} and a length of ∼81.5 nm—comprising 105 000 Si atoms and 24 000more » passivating H atoms in the scattering region—are investigated. The method also allows us to perform significant averaging over impurity configurations—all possible configurations were considered in the case of single impurities. Finally, the effect of the position and number of vacancy defects on the transport properties was considered. It is found that the configurations with the vacancies lying closer to the local density of states (LDOS) maxima have lower transmission functions than the configurations with the vacancies located at LDOS minima or far away from LDOS maxima, suggesting both a qualitative method to tune or estimate optimal impurity configurations as well as a physical picture that accounts for device variability. Finally, we provide performance benchmarks for structures as large as ∼42.5 nm{sup 2} cross section and ∼81.5 nm length.« less

Theory of terahertz intervalence band polaritons and antipolaritons

NASA Astrophysics Data System (ADS)

Faragai, Inuwa Aliyu

The work presented in this thesis is a theoretical investigation of the interaction of terahertz (THz) radiation with intersubband excitations in microcavities leading to THz polaritons and antipolaritons. The approach is based on the dielectric function formalism. The dielectric constant is derived from an optical susceptibility evaluated with Non Equilibrium Many Body Green's Functions (NEGF), which is then adjusted to a Lorentzian fit. Finally, the resulting expression is included in the wave equation describing the propagating electric field in the medium. This model is applied to GaAs/Al[0.3]Ga[0.7]As multiple quantum wells embedded in a microcavity. The energy dispersion relations leading to THz polaritons and antipolaritons are obtained and investigated for different carrier densities and cavity configurations. Recently, intersubband based THz polariton emitters and THz quantum cascade lasers are attracting major research interest due to their great importance in applications such as THz imaging, spectroscopy as well as in security control for detection of biological and hazardous materials and medical diagnosis. The coupling of THz radiation with intersubband transitions in semiconductor microcavities can lead to further tunability and improved quantum efficiency for THz devices. Here we propose a simple geometry and used a simplified modelling technique to investigate the interactions of transverse electric (TE-Mode) polarized THz cavity modes with intervalence band excitations. The model is applied to single and multiple transition problems and combinations of many body effects and scattering mechanism are included in the input dielectric constant.

An insight into the origin of room-temperature ferromagnetism in SnO2 and Mn-doped SnO2 quantum dots: an experimental and DFT approach.

PubMed

Manikandan, Dhamodaran; Boukhvalov, D W; Amirthapandian, S; Zhidkov, I S; Kukharenko, A I; Cholakh, S O; Kurmaev, E Z; Murugan, Ramaswamy

2018-02-28

SnO 2 and Mn-doped SnO 2 single-phase tetragonal crystal structure quantum dots (QDs) of uniform size with control over dopant composition and microstructure were synthesized using the high pressure microwave synthesis technique. On a broader vision, we systematically investigated the influence of dilute Mn ions in SnO 2 under the strong quantum confinement regime through various experimental techniques and density functional theoretical (DFT) calculations to disclose the physical mechanism governing the observed ferromagnetism. DFT calculations revealed that the formation of the stable (001) surface was much more energetically favorable than that of the (100) surface, and the formation energy of the oxygen vacancies in the stable (001) surface was comparatively higher in the undoped SnO 2 QDs. X-ray photoelectron spectroscopy (XPS) and first-principles modeling of doped QDs revealed that the lower doping concentration of Mn favored the formation of MnO-like (Mn 2+ ) structures in defect-rich areas and the higher doping concentration of Mn led to the formation of multiple configurations of Mn (Mn 2+ and Mn 3+ ) in the stable surfaces of SnO 2 QDs. Electronic absorption spectra indicated the characteristic spin allowed ligand field transitions of Mn 2+ and Mn 3+ and the red shift in the band gap. DFT calculations clearly indicated that only the substitutional dopant antiferromagnetic configurations were more energetically favorable. The gradual increase of magnetization at a low level of Mn-doping could be explained by the prevalence of antiferromagnetic manganese-vacancy pairs. Higher concentrations of Mn led to the appearance of ferromagnetic interactions between manganese and oxygen vacancies. The increase in the concentration of metallic dopants caused not just an increase in the total magnetic moment of the system but also changed the magnetic interactions between the magnetic moments on the metal ions and oxygen. The present study provides new insight into the fundamental understanding of the origin of ferromagnetism in transition metal-doped QDs.

Quantum Brownian motion with inhomogeneous damping and diffusion

NASA Astrophysics Data System (ADS)

Massignan, Pietro; Lampo, Aniello; Wehr, Jan; Lewenstein, Maciej

2015-03-01

We analyze the microscopic model of quantum Brownian motion, describing a Brownian particle interacting with a bosonic bath through a coupling which is linear in the creation and annihilation operators of the bath, but may be a nonlinear function of the position of the particle. Physically, this corresponds to a configuration in which damping and diffusion are spatially inhomogeneous. We derive systematically the quantum master equation for the Brownian particle in the Born-Markov approximation and we discuss the appearance of additional terms, for various polynomials forms of the coupling. We discuss the cases of linear and quadratic coupling in great detail and we derive, using Wigner function techniques, the stationary solutions of the master equation for a Brownian particle in a harmonic trapping potential. We predict quite generally Gaussian stationary states, and we compute the aspect ratio and the spread of the distributions. In particular, we find that these solutions may be squeezed (superlocalized) with respect to the position of the Brownian particle. We analyze various restrictions to the validity of our theory posed by non-Markovian effects and by the Heisenberg principle. We further study the dynamical stability of the system, by applying a Gaussian approximation to the time-dependent Wigner function, and we compute the decoherence rates of coherent quantum superpositions in position space. Finally, we propose a possible experimental realization of the physics discussed here, by considering an impurity particle embedded in a degenerate quantum gas.

From quantum to classical modeling of radiation reaction: A focus on stochasticity effects

NASA Astrophysics Data System (ADS)

Niel, F.; Riconda, C.; Amiranoff, F.; Duclous, R.; Grech, M.

2018-04-01

Radiation reaction in the interaction of ultrarelativistic electrons with a strong external electromagnetic field is investigated using a kinetic approach in the nonlinear moderately quantum regime. Three complementary descriptions are discussed considering arbitrary geometries of interaction: a deterministic one relying on the quantum-corrected radiation reaction force in the Landau and Lifschitz (LL) form, a linear Boltzmann equation for the electron distribution function, and a Fokker-Planck (FP) expansion in the limit where the emitted photon energies are small with respect to that of the emitting electrons. The latter description is equivalent to a stochastic differential equation where the effect of the radiation reaction appears in the form of the deterministic term corresponding to the quantum-corrected LL friction force, and by a diffusion term accounting for the stochastic nature of photon emission. By studying the evolution of the energy moments of the electron distribution function with the three models, we are able to show that all three descriptions provide similar predictions on the temporal evolution of the average energy of an electron population in various physical situations of interest, even for large values of the quantum parameter χ . The FP and full linear Boltzmann descriptions also allow us to correctly describe the evolution of the energy variance (second-order moment) of the distribution function, while higher-order moments are in general correctly captured with the full linear Boltzmann description only. A general criterion for the limit of validity of each description is proposed, as well as a numerical scheme for the inclusion of the FP description in particle-in-cell codes. This work, not limited to the configuration of a monoenergetic electron beam colliding with a laser pulse, allows further insight into the relative importance of various effects of radiation reaction and in particular of the discrete and stochastic nature of high-energy photon emission and its back-reaction in the deformation of the particle distribution function.

Bohmian mechanics without wave function ontology

NASA Astrophysics Data System (ADS)

Solé, Albert

2013-11-01

In this paper, I critically assess different interpretations of Bohmian mechanics that are not committed to an ontology based on the wave function being an actual physical object that inhabits configuration space. More specifically, my aim is to explore the connection between the denial of configuration space realism and another interpretive debate that is specific to Bohmian mechanics: the quantum potential versus guidance approaches. Whereas defenders of the quantum potential approach to the theory claim that Bohmian mechanics is better formulated as quasi-Newtonian, via the postulation of forces proportional to acceleration; advocates of the guidance approach defend the notion that the theory is essentially first-order and incorporates some concepts akin to those of Aristotelian physics. Here I analyze whether the desideratum of an interpretation of Bohmian mechanics that is both explanatorily adequate and not committed to configuration space realism favors one of these two approaches to the theory over the other. Contrary to some recent claims in the literature, I argue that the quasi-Newtonian approach based on the idea of a quantum potential does not come out the winner.

Möbius quantum walk

NASA Astrophysics Data System (ADS)

Moradi, Majid; Annabestani, Mostafa

2017-12-01

By adding an extra Hilbert space to the Hadamard quantum walk on cycle (QWC), we present a new type of QWC, the Möbius quantum walk (MQW). The new space configuration enables the particle to rotate around the axis of movement. We define the factor α as the Möbius factor, which is the number of rotations per cycle. So, by α=0 we have a normal QWC, while α \

Particle dynamics and pair production in tightly focused standing wave

NASA Astrophysics Data System (ADS)

Jirka, M.; Klimo, O.; Vranić, M.; Weber, S.; Korn, G.

2017-05-01

With the advent of 10 PW laser facilities, new regimes of laser-matter interaction are opening since effects of quantum electrodynamics, such as electron-positron pair production and cascade development, start to be important. The dynamics of light charged particles, such as electrons and positrons, is affected by the radiation reaction force. This effect can strongly influence the interaction of intense laser pulses with matter since it lowers the energy of emitting particles and transforms their energy to the gamma radiation. Consequently, electron-positron pairs can be generated via Breit-Wheeler process. To study this new regime of interaction, numerical simulations are required. With their help it is possible to predict and study quantum effects which may occur in future experiments at modern laser facilities. In this work we present results of electron interaction with an intense standing wave formed by two colliding laser pulses. Due to the necessity to achieve ultra intense laser field, the laser beam has to be focused to a μm-diameter spot. Since the paraxial approximation is not valid for tight focusing, the appropriate model describing the tightly focused laser beam has to be employed. In tightly focused laser beam the longitudinal component of the electromagnetic field becomes significant and together with the ponderomotive force they affect the dynamics of interacting electrons and also newly generated Breit-Wheeler electron-positron pairs. Using the Particle-In-Cell code we study electron dynamics, gamma radiation and pair production in such a configuration for linear polarization and different types of targets.

Advanced-Retarded Differential Equations in Quantum Photonic Systems

NASA Astrophysics Data System (ADS)

Alvarez-Rodriguez, Unai; Perez-Leija, Armando; Egusquiza, Iñigo L.; Gräfe, Markus; Sanz, Mikel; Lamata, Lucas; Szameit, Alexander; Solano, Enrique

2017-02-01

We propose the realization of photonic circuits whose dynamics is governed by advanced-retarded differential equations. Beyond their mathematical interest, these photonic configurations enable the implementation of quantum feedback and feedforward without requiring any intermediate measurement. We show how this protocol can be applied to implement interesting delay effects in the quantum regime, as well as in the classical limit. Our results elucidate the potential of the protocol as a promising route towards integrated quantum control systems on a chip.

Advanced-Retarded Differential Equations in Quantum Photonic Systems

PubMed Central

Alvarez-Rodriguez, Unai; Perez-Leija, Armando; Egusquiza, Iñigo L.; Gräfe, Markus; Sanz, Mikel; Lamata, Lucas; Szameit, Alexander; Solano, Enrique

2017-01-01

We propose the realization of photonic circuits whose dynamics is governed by advanced-retarded differential equations. Beyond their mathematical interest, these photonic configurations enable the implementation of quantum feedback and feedforward without requiring any intermediate measurement. We show how this protocol can be applied to implement interesting delay effects in the quantum regime, as well as in the classical limit. Our results elucidate the potential of the protocol as a promising route towards integrated quantum control systems on a chip. PMID:28230090

Some Properties of Generalized Connections in Quantum Gravity

NASA Astrophysics Data System (ADS)

Velhinho, J. M.

2002-12-01

Theories of connections play an important role in fundamental interactions, including Yang-Mills theories and gravity in the Ashtekar formulation. Typically in such cases, the classical configuration space {A}/ {G} of connections modulo gauge transformations is an infinite dimensional non-linear space of great complexity. Having in mind a rigorous quantization procedure, methods of functional calculus in an extension of {A}/ {G} have been developed. For a compact gauge group G, the compact space /line { {A}{ {/}} {G}} ( ⊃ {A}/ {G}) introduced by Ashtekar and Isham using C*-algebraic methods is a natural candidate to replace {A}/ {G} in the quantum context, 1 allowing the construction of diffeomorphism invariant measures. 2,3,4 Equally important is the space of generalized connections bar {A} introduced in a similar way by Baez. 5 bar {A} is particularly useful for the definition of vector fields in /line { {A}{ {/}} {G}} , fundamental in the construction of quantum observables. 6 These works crucially depend on the use of (generalized) Wilson variables associated to certain types of curves. We will consider the case of piecewise analytic curves, 1,2,5 althought most of the arguments apply equally to the piecewise smooth case. 7,8...

Modeling Alkyl p-Methoxy Cinnamate (APMC) as UV absorber based on electronic transition using semiempirical quantum mechanics ZINDO/s calculation

NASA Astrophysics Data System (ADS)

Salmahaminati; Azis, Muhlas Abdul; Purwiandono, Gani; Arsyik Kurniawan, Muhammad; Rubiyanto, Dwiarso; Darmawan, Arif

2017-11-01

In this research, modeling several alkyl p-methoxy cinnamate (APMC) based on electronic transition by using semiempirical mechanical quantum ZINDO/s calculation is performed. Alkyl cinnamates of C1 (methyl) up to C7 (heptyl) homolog with 1-5 example structures of each homolog are used as materials. Quantum chemistry-package software Hyperchem 8.0 is used to simulate the drawing of the structure, geometry optimization by a semiempirical Austin Model 1 algorithm and single point calculation employing a semiempirical ZINDO/s technique. ZINDO/s calculations use a defined criteria that singly excited -Configuration Interaction (CI) where a gap of HOMO-LUMO energy transition and maximum degeneracy level are 7 and 2, respectively. Moreover, analysis of the theoretical spectra is focused on the UV-B (290-320 nm) and UV-C (200-290 nm) area. The results show that modeling of the compound can be used to predict the type of UV protection activity depends on the electronic transition in the UV area. Modification of the alkyl homolog relatively does not change the value of wavelength absorption to indicate the UV protection activity. Alkyl cinnamate compounds are predicted as UV-B and UV-C sunscreen.

Ab initio study of H + + H 2 collisions: Elastic/inelastic and charge transfer processes

NASA Astrophysics Data System (ADS)

Saieswari, A.; Kumar, Sanjay

2007-12-01

An ab initio full configuration interaction study has been undertaken to obtain the global potential energy surfaces for the ground and the first excited electronic state of the H + + H 2 system employing Dunning's cc-pVQZ basis set. Using the ab initio approach the corresponding quasi-diabatic potential energy surfaces and coupling potentials have been obtained. A time-independent quantum mechanical study has been also undertaken for both the inelastic and charge transfer processes at the experimental collision energy Ec.m. = 20.0 eV and the preliminary results show better agreement with the experimental data as compared to the earlier available theoretical studies.

Improving the efficiency of quantum hash function by dense coding of coin operators in discrete-time quantum walk

NASA Astrophysics Data System (ADS)

Yang, YuGuang; Zhang, YuChen; Xu, Gang; Chen, XiuBo; Zhou, Yi-Hua; Shi, WeiMin

2018-03-01

Li et al. first proposed a quantum hash function (QHF) in a quantum-walk architecture. In their scheme, two two-particle interactions, i.e., I interaction and π-phase interaction are introduced and the choice of I or π-phase interactions at each iteration depends on a message bit. In this paper, we propose an efficient QHF by dense coding of coin operators in discrete-time quantum walk. Compared with existing QHFs, our protocol has the following advantages: the efficiency of the QHF can be doubled and even more; only one particle is enough and two-particle interactions are unnecessary so that quantum resources are saved. It is a clue to apply the dense coding technique to quantum cryptographic protocols, especially to the applications with restricted quantum resources.

Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the "On-the-Fly" Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD).

PubMed

Li, Junjie; Li, Xiaohu; Iyengar, Srinivasan S

2014-06-10

We discuss a multiconfigurational treatment of the "on-the-fly" electronic structure within the quantum wavepacket ab initio molecular dynamics (QWAIMD) method for coupled treatment of quantum nuclear effects with electronic structural effects. Here, multiple single-particle electronic density matrices are simultaneously propagated with a quantum nuclear wavepacket and other classical nuclear degrees of freedom. The multiple density matrices are coupled through a nonorthogonal configuration interaction (NOCI) procedure to construct the instantaneous potential surface. An adaptive-mesh-guided set of basis functions composed of Gaussian primitives are used to simplify the electronic structure calculations. Specifically, with the replacement of the atom-centered basis functions positioned on the centers of the quantum-mechanically treated nuclei by a mesh-guided band of basis functions, the two-electron integrals used to compute the electronic structure potential surface become independent of the quantum nuclear variable and hence reusable along the entire Cartesian grid representing the quantum nuclear coordinates. This reduces the computational complexity involved in obtaining a potential surface and facilitates the interpretation of the individual density matrices as representative diabatic states. The parametric nuclear position dependence of the diabatic states is evaluated at the initial time-step using a Shannon-entropy-based sampling function that depends on an approximation to the quantum nuclear wavepacket and the potential surface. This development is meant as a precursor to an on-the-fly fully multireference electronic structure procedure embedded, on-the-fly, within a quantum nuclear dynamics formalism. We benchmark the current development by computing structural, dynamic, and spectroscopic features for a series of bihalide hydrogen-bonded systems: FHF(-), ClHCl(-), BrHBr(-), and BrHCl(-). We find that the donor-acceptor structural features are in good agreement with experiments. Spectroscopic features are computed using a unified velocity/flux autocorrelation function and include vibrational fundamentals and combination bands. These agree well with experiments and other theories.

Response to “Comment on ‘Propagation of surface waves on a semi-bounded quantum magnetized collisional plasma’” [Phys. Plasmas 23, 044701 (2016)

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

Niknam, A. R., E-mail: a-niknam@sbu.ac.ir; Taheri Boroujeni, S.; Khorashadizadeh, S. M., E-mail: smkhorashadi@birjand.ac.ir

2016-04-15

We reply to the Comment of Moradi [Phys. Plasmas 23, 044701 (2016)] on our paper [Phys. Plasmas 20, 122106 (2013)]. It is shown that TM surface waves can propagate on the surface of a semi-bounded quantum magnetized collisional plasma in the Faraday configuration in the electrostatic limit. In addition, in the Faraday configuration, one can neglect the coupling of TM and TE modes in the two limiting cases of weak magnetic field (low cyclotron frequency) and strong magnetic field (high cyclotron frequency).

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

Quantum light in coupled interferometers for quantum gravity tests.

PubMed

Ruo Berchera, I; Degiovanni, I P; Olivares, S; Genovese, M

2013-05-24

In recent years quantum correlations have received a lot of attention as a key ingredient in advanced quantum metrology protocols. In this Letter we show that they provide even larger advantages when considering multiple-interferometer setups. In particular, we demonstrate that the use of quantum correlated light beams in coupled interferometers leads to substantial advantages with respect to classical light, up to a noise-free scenario for the ideal lossless case. On the one hand, our results prompt the possibility of testing quantum gravity in experimental configurations affordable in current quantum optics laboratories and strongly improve the precision in "larger size experiments" such as the Fermilab holometer; on the other hand, they pave the way for future applications to high precision measurements and quantum metrology.

Quantum walks of interacting fermions on a cycle graph

PubMed Central

Melnikov, Alexey A.; Fedichkin, Leonid E.

2016-01-01

Quantum walks have been employed widely to develop new tools for quantum information processing recently. A natural quantum walk dynamics of interacting particles can be used to implement efficiently the universal quantum computation. In this work quantum walks of electrons on a graph are studied. The graph is composed of semiconductor quantum dots arranged in a circle. Electrons can tunnel between adjacent dots and interact via Coulomb repulsion, which leads to entanglement. Fermionic entanglement dynamics is obtained and evaluated. PMID:27681057

Atomistic tight-binding theory of excitonic splitting energies in CdX(X = Se, S and Te)/ZnS core/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak; Pinsook, Udomsilp

2017-01-01

Using the atomistic tight-binding theory (TB) and a configuration interaction description (CI), we numerically compute the excitonic splitting of CdX(X = Se, S and Te)/ZnS core/shell nanocrystals with the objective to explain how types of the core materials and growth shell thickness can provide the detailed manipulation of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting, beneficial for the active application of quantum information. To analyze the splitting of the excitonic states, the optical band gaps, ground-state wave function overlaps and atomistic electron-hole interactions tend to be numerically demonstrated. Based on the atomistic computations, the single-particle and excitonic gaps are mainly reduced with the increasing ZnS shell thickness owing to the quantum confinement. In the range of the higher to lower energies, the order of the single-particle gaps is CdSe/ZnS, CdS/ZnS and CdTe/ZnS core/shell nanocrystals, while one of the excitonic gaps is CdS/ZnS, CdSe/ZnS and CdTe/ZnS core/shell nanocrystals because of the atomistic electron-hole interaction. The strongest electron-hole interactions are mainly observed in CdSe/ZnS core/shell nanocrystals. In addition, the computational results underline that the energies of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting are generally reduced with the increasing ZnS growth shell thickness as described by the trend of the electron-hole exchange interaction. The high-to-low splitting of the excitonic states is demonstrated in CdSe/ZnS, CdTe/ZnS and CdS/ZnS core/shell nanocrystals because of the fashion in the electron-hole exchange interaction and overlaps of the electron-hole wave functions. As the resulting calculations, it is expected that CdS/ZnS core/shell nanocrystals are the best candidates to be the source of entangled photons. Finally, the comprehensive information on the excitonic splitting can enable the use of suitable core/shell nanocrystals for the entangled photons in the application of quantum information.

A variable partially polarizing beam splitter.

PubMed

Flórez, Jefferson; Carlson, Nathan J; Nacke, Codey H; Giner, Lambert; Lundeen, Jeff S

2018-02-01

We present designs for variably polarizing beam splitters. These are beam splitters allowing the complete and independent control of the horizontal and vertical polarization splitting ratios. They have quantum optics and quantum information applications, such as quantum logic gates for quantum computing and non-local measurements for quantum state estimation. At the heart of each design is an interferometer. We experimentally demonstrate one particular implementation, a displaced Sagnac interferometer configuration, that provides an inherent instability to air currents and vibrations. Furthermore, this design does not require any custom-made optics but only common components which can be easily found in an optics laboratory.

A variable partially polarizing beam splitter

NASA Astrophysics Data System (ADS)

Flórez, Jefferson; Carlson, Nathan J.; Nacke, Codey H.; Giner, Lambert; Lundeen, Jeff S.

2018-02-01

We present designs for variably polarizing beam splitters. These are beam splitters allowing the complete and independent control of the horizontal and vertical polarization splitting ratios. They have quantum optics and quantum information applications, such as quantum logic gates for quantum computing and non-local measurements for quantum state estimation. At the heart of each design is an interferometer. We experimentally demonstrate one particular implementation, a displaced Sagnac interferometer configuration, that provides an inherent instability to air currents and vibrations. Furthermore, this design does not require any custom-made optics but only common components which can be easily found in an optics laboratory.

Strong coupling of collection of emitters on hyperbolic meta-material

NASA Astrophysics Data System (ADS)

Biehs, Svend-Age; Xu, Chenran; Agarwal, Girish S.

2018-04-01

Recently, considerable effort has been devoted to the realization of a strong coupling regime of the radiation matter interaction in the context of an emitter at a meta surface. The strong interaction is well realized in cavity quantum electrodynamics, which also show that strong coupling is much easier to realize using a collection of emitters. Keeping this in mind, we study if emitters on a hyperbolic meta materials can yield a strong coupling regime. We show that strong coupling can be realized for densities of emitters exceeding a critical value. A way to detect strong coupling between emitters and hyperbolic metamaterials is to use the Kretschman-Raether configuration. The strong coupling appears as the splitting of the reflectivity dip. In the weak coupling regime, the dip position shifts. The shift and splitting can be used to sense active molecules at surfaces.

A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH.

PubMed

Kashinski, D O; Talbi, D; Hickman, A P; Di Nallo, O E; Colboc, F; Chakrabarti, K; Schneider, I F; Mezei, J Zs

2017-05-28

A quantitative theoretical study of the dissociative recombination of SH + with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH + and SH. The block diagonalization method was used to disentangle strongly interacting SH valence and Rydberg states and to construct a diabatic Hamiltonian whose diagonal matrix elements provide the diabatic potential energy curves. The off-diagonal elements are related to the electronic valence-Rydberg couplings. Cross sections and rate coefficients for the dissociative recombination reaction were calculated with a stepwise version of the multichannel quantum defect theory, using the molecular data provided by the block diagonalization method. The calculated rates are compared with the most recent measurements performed on the ion Test Storage Ring (TSR) in Heidelberg, Germany.

Electron capture in collisions of N+ with H and H+ with N

NASA Astrophysics Data System (ADS)

Lin, C. Y.; Stancil, P. C.; Gu, J. P.; Buenker, R. J.; Kimura, M.

2005-06-01

Charge-transfer processes due to collisions of N+ with atomic hydrogen and H+ with atomic nitrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational couplings obtained with the multireference single- and double-excitation configuration interaction approach. Total and state-selective cross sections for the energy range 0.1meV/u-1keV/u are presented and compared with existing experimental and theoretical data. A large number of low-energy resonances are obtained for exoergic channels and near thresholds of endoergic channels. Rate coefficients are also obtained and comparison to previous calculations suggests nonadiabatic effects dominate for temperatures greater than 20 000 K, but that the spin-orbit interaction plays a major role for lower temperatures.

Accurate bond energies of hydrocarbons from complete basis set extrapolated multi-reference singles and doubles configuration interaction.

PubMed

Oyeyemi, Victor B; Pavone, Michele; Carter, Emily A

2011-12-09

Quantum chemistry has become one of the most reliable tools for characterizing the thermochemical underpinnings of reactions, such as bond dissociation energies (BDEs). The accurate prediction of these particular properties (BDEs) are challenging for ab initio methods based on perturbative corrections or coupled cluster expansions of the single-determinant Hartree-Fock wave function: the processes of bond breaking and forming are inherently multi-configurational and require an accurate description of non-dynamical electron correlation. To this end, we present a systematic ab initio approach for computing BDEs that is based on three components: 1) multi-reference single and double excitation configuration interaction (MRSDCI) for the electronic energies; 2) a two-parameter scheme for extrapolating MRSDCI energies to the complete basis set limit; and 3) DFT-B3LYP calculations of minimum-energy structures and vibrational frequencies to account for zero point energy and thermal corrections. We validated our methodology against a set of reliable experimental BDE values of CC and CH bonds of hydrocarbons. The goal of chemical accuracy is achieved, on average, without applying any empirical corrections to the MRSDCI electronic energies. We then use this composite scheme to make predictions of BDEs in a large number of hydrocarbon molecules for which there are no experimental data, so as to provide needed thermochemical estimates for fuel molecules. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relative Configuration of Natural Products Using NMR Chemical Shifts

USDA-ARS?s Scientific Manuscript database

By comparing calculated with experimental NMR chemical shifts, we were able to determine the relative configurations of three monoterpene diastereomers produced by the walkingstick Anisomorpha buprestoides. The combined RMSDs of both 1H and 13C quantum chemically calculated shifts were able to predi...

Canonical quantization of classical mechanics in curvilinear coordinates. Invariant quantization procedure

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

Błaszak, Maciej, E-mail: blaszakm@amu.edu.pl; Domański, Ziemowit, E-mail: ziemowit@amu.edu.pl

In the paper is presented an invariant quantization procedure of classical mechanics on the phase space over flat configuration space. Then, the passage to an operator representation of quantum mechanics in a Hilbert space over configuration space is derived. An explicit form of position and momentum operators as well as their appropriate ordering in arbitrary curvilinear coordinates is demonstrated. Finally, the extension of presented formalism onto non-flat case and related ambiguities of the process of quantization are discussed. -- Highlights: •An invariant quantization procedure of classical mechanics on the phase space over flat configuration space is presented. •The passage tomore » an operator representation of quantum mechanics in a Hilbert space over configuration space is derived. •Explicit form of position and momentum operators and their appropriate ordering in curvilinear coordinates is shown. •The invariant form of Hamiltonian operators quadratic and cubic in momenta is derived. •The extension of presented formalism onto non-flat case and related ambiguities of the quantization process are discussed.« less

Rabi like angular splitting in Surface Plasmon Polariton - Exciton interaction in ATR configuration

NASA Astrophysics Data System (ADS)

Hassan, Heba; Abdallah, T.; Negm, S.; Talaat, H.

2018-05-01

We have studied the coupling of propagating Surface Plasmon Polaritons (SPP) on silver films and excitons in CdS quantum dots (QDs). We employed the Kretschmann-Raether configuration of the attenuated total reflection (ATR) to propagate the SPP on silver film of thickness 47.5 nm at three different wavelengths. The CdS QD have been chemically synthesized with particular size such that its exciton of energy would resonate with SPP. High resolution transmission electron microscopy (HRTEM) and scan tunneling microscopy (STM) were used to measure the corresponding QDs size and confirm its shape. Further confirmation of the size has been performed by the effective mass approximation (EMA) model utilizing the band gap of the prepared QDs. The band gaps have been measured through UV-vis absorption spectra as well as scan tunneling spectroscopy (STS). The coupling has been observed as two branching dips in the ATR spectra indicating Rabi like splitting. To the best of our knowledge, this is the first time that Rabi interaction is directly observed in an ATR angular spectra. This observation is attributed to the use a high resolution angular scan (±0.005°), in addition to the Doppler width of the laser line as well as the energy distribution of the excitons. The effect of three different linker molecules (TOPO, HDA), (Pyridine) and (Tri-butylamine) as surface ligands, on SPP-Exciton interaction has been examined.

Potential surfaces for O atom-polymer reactions

NASA Technical Reports Server (NTRS)

Laskowski, B. C.; Jaffe, R. L.

1987-01-01

Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to COsbnd CO and COsbnd HF

NASA Astrophysics Data System (ADS)

Barreto, Patricia R. P.; Cruz, Ana Claudia P. S.; Barreto, Rodrigo L. P.; Palazzetti, Federico; Albernaz, Alessandra F.; Lombardi, Andrea; Maciel, Glauciete S.; Aquilanti, Vincenzo

2017-07-01

The spherical-harmonics expansion is a mathematically rigorous procedure and a powerful tool for the representation of potential energy surfaces of interacting molecular systems, determining their spectroscopic and dynamical properties, specifically in van der Waals clusters, with applications also to classical and quantum molecular dynamics simulations. The technique consists in the construction (by ab initio or semiempirical methods) of the expanded potential interaction up to terms that provide the generation of a number of leading configurations sufficient to account for faithful geometrical representations. This paper reports the full general description of the method of the spherical-harmonics expansion as applied to diatomic-molecule - diatomic-molecule systems of increasing complexity: the presentation of the mathematical background is given for providing both the application to the prototypical cases considered previously (O2sbnd O2, N2sbnd N2, and N2sbnd O2 systems) and the generalization to: (i) the COsbnd CO system, where a characteristic feature is the lower symmetry order with respect to the cases studied before, requiring a larger number of expansion terms necessary to adequately represent the potential energy surface; and (ii) the COsbnd HF system, which exhibits the lowest order of symmetry among this class of aggregates and therefore the highest number of leading configurations.

Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

PubMed

Lemkul, Justin A; MacKerell, Alexander D

2017-05-09

Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

An analytical derivation of MC-SCF vibrational wave functions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains

NASA Astrophysics Data System (ADS)

Drukker, Karen; Hammes-Schiffer, Sharon

1997-07-01

This paper presents an analytical derivation of a multiconfigurational self-consistent-field (MC-SCF) solution of the time-independent Schrödinger equation for nuclear motion (i.e. vibrational modes). This variational MC-SCF method is designed for the mixed quantum/classical molecular dynamics simulation of multiple proton transfer reactions, where the transferring protons are treated quantum mechanically while the remaining degrees of freedom are treated classically. This paper presents a proof that the Hellmann-Feynman forces on the classical degrees of freedom are identical to the exact forces (i.e. the Pulay corrections vanish) when this MC-SCF method is used with an appropriate choice of basis functions. This new MC-SCF method is applied to multiple proton transfer in a protonated chain of three hydrogen-bonded water molecules. The ground state and the first three excited state energies and the ground state forces agree well with full configuration interaction calculations. Sample trajectories are obtained using adiabatic molecular dynamics methods, and nonadiabatic effects are found to be insignificant for these sample trajectories. The accuracy of the excited states will enable this MC-SCF method to be used in conjunction with nonadiabatic molecular dynamics methods. This application differs from previous work in that it is a real-time quantum dynamical nonequilibrium simulation of multiple proton transfer in a chain of water molecules.

Quantum gravity and renormalization

NASA Astrophysics Data System (ADS)

Anselmi, Damiano

2015-02-01

The properties of quantum gravity are reviewed from the point of view of renormalization. Various attempts to overcome the problem of non-renormalizability are presented, and the reasons why most of them fail for quantum gravity are discussed. Interesting possibilities come from relaxing the locality assumption, which also can inspire the investigation of a largely unexplored sector of quantum field theory. Another possibility is to work with infinitely many independent couplings, and search for physical quantities that only depend on a finite subset of them. In this spirit, it is useful to organize the classical action of quantum gravity, determined by renormalization, in a convenient way. Taking advantage of perturbative local field redefinitions, we write the action as the sum of the Hilbert term, the cosmological term, a peculiar scalar that is important only in higher dimensions, plus invariants constructed with at least three Weyl tensors. We show that the FRLW configurations, and many other locally conformally flat metrics, are exact solutions of the field equations in arbitrary dimensions d>3. If the metric is expanded around such configurations the quadratic part of the action is free of higher-time derivatives. Other well-known metrics, such as those of black holes, are instead affected in nontrivial ways by the classical corrections of quantum origin.

Tuning Optoelectronic Properties of the Graphene-Based Quantum Dots C16- xSi xH10 Family.

PubMed

Ramadan, F-Z; Ouarrad, H; Drissi, L B

2018-06-07

The electronic and optical properties of graphene-based quantum dots (QDs) are investigated using DFT and many-body perturbation theory. Formation energy, hardeness and electrophilicity show that all structures, from pyrene to silicene QD passing through 15 CSi QD configurations, are energetically and chemically stable. It is also found that they are reactive which implies their favorable character for the possible electronic transport and conductivity. The electronic and optical properties are very sensitive to the number and position of the substituted silicon atoms as well as the directions of the light polarization. Moreover, quantum confinement effects make the exciton binding energy of CSi quantum dots larger than those of their higher dimensional allotropes such as silicene, graphene, and SiC sheet and nanotube. It is also higher those of other shapes of quantum dots like hexagonal graphene QDs and can be tailored from the ultraviolet region to the visible one. The values of the singlet-triplet splitting determined for the X- and Y-light polarized indicate that all configurations have a high fluorescence quantum yield compared to the yield of typical semiconductors, which makes them very promising for various applications such as the light-emitting diode material and nanomedicine.

Topological magnon bands and unconventional thermal Hall effect on the frustrated honeycomb and bilayer triangular lattice.

PubMed

Owerre, S A

2017-09-27

In the conventional ferromagnetic systems, topological magnon bands and thermal Hall effect are due to the Dzyaloshinskii-Moriya interaction (DMI). In principle, however, the DMI is either negligible or it is not allowed by symmetry in some quantum magnets. Therefore, we expect that topological magnon features will not be present in those systems. In addition, quantum magnets on the triangular-lattice are not expected to possess topological features as the DMI or spin-chirality cancels out due to equal and opposite contributions from adjacent triangles. Here, however, we predict that the isomorphic frustrated honeycomb-lattice and bilayer triangular-lattice antiferromagnetic system will exhibit topological magnon bands and topological thermal Hall effect in the absence of an intrinsic DMI. These unconventional topological magnon features are present as a result of magnetic-field-induced non-coplanar spin configurations with nonzero scalar spin chirality. The relevance of the results to realistic bilayer triangular antiferromagnetic materials are discussed.

MARTINI: An event generator for relativistic heavy-ion collisions

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

Schenke, Bjoern; Gale, Charles; Jeon, Sangyong

2009-11-15

We introduce the modular algorithm for relativistic treatment of heavy ion interactions (MARTINI), a comprehensive event generator for the hard and penetrating probes in high-energy nucleus-nucleus collisions. Its main components are a time-evolution model for the soft background, PYTHIA 8.1, and the McGill-Arnold, Moore, and Yaffe (AMY) parton-evolution scheme, including radiative as well as elastic processes. This allows us to generate full event configurations in the high p{sub T} region that take into account thermal quantum chromodynamic (QCD) and quantum electrodynamic (QED) effects as well as effects of the evolving medium. We present results for the neutral pion nuclear modificationmore » factor in Au+Au collisions at the BNL Relativistic Heavy Ion Collider as a function of p{sub T} for different centralities and also as a function of the angle with respect to the reaction plane for noncentral collisions. Furthermore, we study the production of high-transverse-momentum photons, incorporating a complete set of photon-production channels.« less

One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization

NASA Astrophysics Data System (ADS)

Zacharias, Marios; Giustino, Feliciano

Electron-phonon interactions are of fundamental importance in the study of the optical properties of solids at finite temperatures. Here we present a new first-principles computational technique based on the Williams-Lax theory for performing predictive calculations of the optical spectra, including quantum zero-point renormalization and indirect absorption. The calculation of the Williams-Lax optical spectra is computationally challenging, as it involves the sampling over all possible nuclear quantum states. We develop an efficient computational strategy for performing ''one-shot'' finite-temperature calculations. These require only a single optimal configuration of the atomic positions. We demonstrate our methodology for the case of Si, C, and GaAs, yielding absorption coefficients in good agreement with experiment. This work opens the way for systematic calculations of optical spectra at finite temperature. This work was supported by the UK EPSRC (EP/J009857/1 and EP/M020517/) and the Leverhulme Trust (RL-2012-001), and the Graphene Flagship (EU-FP7-604391).

Emergence Processes up to Consciousness Using the Multiplicity Principle and Quantum Physics

NASA Astrophysics Data System (ADS)

Ehresmann, Andrée C.; Vanbremeersch, Jean-Paul

2002-09-01

Evolution is marked by the emergence of new objects and interactions. Pursuing our preceding work on Memory Evolutive Systems (MES; cf. our Internet site), we propose a general mathematical model for this process, based on Category Theory. Its main characteristics is the Multiplicity Principle (MP) which asserts the existence of complex objects with several possible configurations. The MP entails the emergence of non-reducible more and more complex objects (emergentist reductionism). From the laws of Quantum Physics, it follows that the MP is valid for the category of particles and atoms, hence, by complexification, for any natural autonomous anticipatory complex system, such as biological systems up to neural systems, or social systems. Applying the model to the MES of neurons, we describe the emergence of higher and higher cognitive processes and of a semantic memory. Consciousness is characterized by the development of a permanent `personal' memory, the archetypal core, which allows the formation of extended landscapes with an integration of the temporal dimensions.

Continuous-variable quantum cryptography with an untrusted relay: Detailed security analysis of the symmetric configuration

NASA Astrophysics Data System (ADS)

Ottaviani, Carlo; Spedalieri, Gaetana; Braunstein, Samuel L.; Pirandola, Stefano

2015-02-01

We consider the continuous-variable protocol of Pirandola et al. [arXiv:1312.4104] where the secret key is established by the measurement of an untrusted relay. In this network protocol, two authorized parties are connected to an untrusted relay by insecure quantum links. Secret correlations are generated by a continuous-variable Bell detection performed on incoming coherent states. In the present work we provide a detailed study of the symmetric configuration, where the relay is midway between the parties. We analyze symmetric eavesdropping strategies against the quantum links explicitly showing that, at fixed transmissivity and thermal noise, two-mode coherent attacks are optimal, manifestly outperforming one-mode collective attacks based on independent entangling cloners. Such an advantage is shown both in terms of security threshold and secret-key rate.

Quantum Sensors for the Generating Functional of Interacting Quantum Field Theories

NASA Astrophysics Data System (ADS)

Bermudez, A.; Aarts, G.; Müller, M.

2017-10-01

Difficult problems described in terms of interacting quantum fields evolving in real time or out of equilibrium abound in condensed-matter and high-energy physics. Addressing such problems via controlled experiments in atomic, molecular, and optical physics would be a breakthrough in the field of quantum simulations. In this work, we present a quantum-sensing protocol to measure the generating functional of an interacting quantum field theory and, with it, all the relevant information about its in- or out-of-equilibrium phenomena. Our protocol can be understood as a collective interferometric scheme based on a generalization of the notion of Schwinger sources in quantum field theories, which make it possible to probe the generating functional. We show that our scheme can be realized in crystals of trapped ions acting as analog quantum simulators of self-interacting scalar quantum field theories.

Spectroscopic detection of biological NO with a quantum cascade laser

NASA Technical Reports Server (NTRS)

Menzel, L.; Kosterev, A. A.; Curl, R. F.; Tittel, F. K.; Gmachl, C.; Capasso, F.; Sivco, D. L.; Baillargeon, J. N.; Hutchinson, A. L.; Cho, A. Y.;

Current algebras, measures quasi-invariant under diffeomorphism groups, and infinite quantum systems with accumulation points

NASA Astrophysics Data System (ADS)

Sakuraba, Takao

The approach to quantum physics via current algebra and unitary representations of the diffeomorphism group is established. This thesis studies possible infinite Bose gas systems using this approach. Systems of locally finite configurations and systems of configurations with accumulation points are considered, with the main emphasis on the latter. In Chapter 2, canonical quantization, quantization via current algebra and unitary representations of the diffeomorphism group are reviewed. In Chapter 3, a new definition of the space of configurations is proposed and an axiom for general configuration spaces is abstracted. Various subsets of the configuration space, including those specifying the number of points in a Borel set and those specifying the number of accumulation points in a Borel set are proved to be measurable using this axiom. In Chapter 4, known results on the space of locally finite configurations and Poisson measure are reviewed in the light of the approach developed in Chapter 3, including the approach to current algebra in the Poisson space by Albeverio, Kondratiev, and Rockner. Goldin and Moschella considered unitary representations of the group of diffeomorphisms of the line based on self-similar random processes, which may describe infinite quantum gas systems with clusters. In Chapter 5, the Goldin-Moschella theory is developed further. Their construction of measures quasi-invariant under diffeomorphisms is reviewed, and a rigorous proof of their conjectures is given. It is proved that their measures with distinct correlation parameters are mutually singular. A quasi-invariant measure constructed by Ismagilov on the space of configurations with accumulation points on the circle is proved to be singular with respect to the Goldin-Moschella measures. Finally a generalization of the Goldin-Moschella measures to the higher-dimensional case is studied, where the notion of covariance matrix and the notion of condition number play important roles. A rigorous construction of measures quasi-invariant under the group of diffeomorphisms of d-dimensional space stabilizing a point is given.

Quantum structures for recombination control in the light-emitting transistor

NASA Astrophysics Data System (ADS)

Chen, Kanuo; Hsiao, Fu-Chen; Joy, Brittany; Dallesasse, John M.

2017-02-01

Recombination of carriers in the direct-bandgap base of a transistor-injected quantum cascade laser (TI-QCL) is shown to be controllable through the field applied across the quantum cascade region located in the transistor's base-collector junction. The influence of the electric field on the quantum states in the cascade region's superlattice allows free flow of electrons out of the transistor base only for field values near the design field that provides optimal QCL gain. Quantum modulation of base recombination in the light-emitting transistor is therefore observed. In a GaAs-based light-emitting transistor, a periodic superlattice is grown between the p-type base and the n-type collector. Under different base-collector biasing conditions the distribution of quantum states, and as a consequence transition probabilities through the wells and barriers forming the cascade region, leads to strong field-dependent mobility for electrons in transit through the base-collector junction. The radiative base recombination, which is influenced by minority carrier transition lifetime, can be modulated through the quantum states alignment in the superlattice. A GaAs-based transistor-injected quantum cascade laser with AlGaAs/GaAs superlattice is designed and fabricated. Radiative base recombination is measured under both common-emitter and common-base configuration. In both configurations the optical output from the base is proportional to the emitter injection. When the quantum states in the superlattice are aligned the optical output in the base is reduced as electrons encounter less impedance entering the collector; when the quantum states are misaligned electrons have longer lifetime in the base and the radiative base recombination process is enhanced.

Analysis of Jeans instability of optically thick quantum plasma under the effect of modified Ohms law

NASA Astrophysics Data System (ADS)

Pensia, R. K.; Sutar, D. L.; Sharma, S.

2018-05-01

The Jeans instability of self-gravitating optically thick quantum plasma is reanalyzed in the framework of viscosity, black body radiation and modify ohms law. The usual magnetohydrodynamic (MHD) equation is used for the present configuration with black body radiation, viscosity, electrical resistivity and quantum corrections. A general dispersion relation is obtained with the help of linearized perturbation equations. It is found that the quantum correction has stabilizing effect on the system. The instability of system is discussed for various cases as our interest.

Accurate interatomic force fields via machine learning with covariant kernels

NASA Astrophysics Data System (ADS)

Glielmo, Aldo; Sollich, Peter; De Vita, Alessandro

2017-06-01

We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian process (GP) regression. This is based on matrix-valued kernel functions, on which we impose the requirements that the predicted force rotates with the target configuration and is independent of any rotations applied to the configuration database entries. We show that such covariant GP kernels can be obtained by integration over the elements of the rotation group SO (d ) for the relevant dimensionality d . Remarkably, in specific cases the integration can be carried out analytically and yields a conservative force field that can be recast into a pair interaction form. Finally, we show that restricting the integration to a summation over the elements of a finite point group relevant to the target system is sufficient to recover an accurate GP. The accuracy of our kernels in predicting quantum-mechanical forces in real materials is investigated by tests on pure and defective Ni, Fe, and Si crystalline systems.

Calculation of protein-ligand binding affinities.

PubMed

Gilson, Michael K; Zhou, Huan-Xiang

2007-01-01

Accurate methods of computing the affinity of a small molecule with a protein are needed to speed the discovery of new medications and biological probes. This paper reviews physics-based models of binding, beginning with a summary of the changes in potential energy, solvation energy, and configurational entropy that influence affinity, and a theoretical overview to frame the discussion of specific computational approaches. Important advances are reported in modeling protein-ligand energetics, such as the incorporation of electronic polarization and the use of quantum mechanical methods. Recent calculations suggest that changes in configurational entropy strongly oppose binding and must be included if accurate affinities are to be obtained. The linear interaction energy (LIE) and molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) methods are analyzed, as are free energy pathway methods, which show promise and may be ready for more extensive testing. Ultimately, major improvements in modeling accuracy will likely require advances on multiple fronts, as well as continued validation against experiment.

Topological view of quantum tunneling coherent destruction

NASA Astrophysics Data System (ADS)

Bernardini, Alex E.; Chinaglia, Mariana

2017-08-01

Quantum tunneling of the ground and first excited states in a quantum superposition driven by a novel analytical configuration of a double-well (DW) potential is investigated. Symmetric and asymmetric potentials are considered as to support quantum mechanical zero mode and first excited state analytical solutions. Reporting about a symmetry breaking that supports the quantum conversion of a zero-mode stable vacuum into an unstable tachyonic quantum state, two inequivalent topological scenarios are supposed to drive stable tunneling and coherent tunneling destruction respectively. A complete prospect of the Wigner function dynamics, vector field fluxes and the time dependence of stagnation points is obtained for the analytical potentials that support stable and tachyonic modes.

Ballistic pulse propagation in quantum wire waveguides: Toward localization and control of electron wave packets in space and time

NASA Astrophysics Data System (ADS)

Hayata, K.; Tsuji, Y.; Koshiba, M.

1992-10-01

A theoretical formulation of electron pulse propagation in quantum wire structures with mesoscopic scale cross sections is presented, assuming quantum ballistic transport of electron wave packets over a certain characteristic length. As typical mesoscopic structures for realizing coherent electron transmission, two traveling-wave configurations are considered: straight quantum wire waveguides and quantum wire bend structures (quantum whispering galleries). To estimate temporal features of the pulse during propagation, the walk off, the dispersion, and the pulse coherence lengths are defined as useful characteristic lengths. Numerical results are shown for ultrashort pulse propagation through rectangular wire waveguides. Effects due to an external electric field are discussed as well.

Quantum transitions through cosmological singularities

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

Bramberger, Sebastian F.; Lehners, Jean-Luc; Hertog, Thomas

2017-07-01

In a quantum theory of cosmology spacetime behaves classically only in limited patches of the configuration space on which the wave function of the universe is defined. Quantum transitions can connect classical evolution in different patches. Working in the saddle point approximation and in minisuperspace we compute quantum transitions connecting inflationary histories across a de Sitter like throat or a singularity. This supplies probabilities for how an inflating universe, when evolved backwards, transitions and branches into an ensemble of histories on the opposite side of a quantum bounce. Generalising our analysis to scalar potentials with negative regions we identify saddlemore » points describing a quantum transition between a classically contracting, crunching ekpyrotic phase and an inflationary universe.« less

Squeezed light in an optical parametric oscillator network with coherent feedback quantum control.

PubMed

Crisafulli, Orion; Tezak, Nikolas; Soh, Daniel B S; Armen, Michael A; Mabuchi, Hideo

2013-07-29

We present squeezing and anti-squeezing spectra of the output from a degenerate optical parametric oscillator (OPO) network arranged in different coherent quantum feedback configurations. One OPO serves as a quantum plant, the other as a quantum controller. The addition of coherent feedback enables shaping of the output squeezing spectrum of the plant, and is found to be capable of pushing the frequency of maximum squeezing away from the optical driving frequency and broadening the spectrum over a wider frequency band. The experimental results are in excellent agreement with the developed theory, and illustrate the use of coherent quantum feedback to engineer the quantum-optical properties of the plant OPO output.

Semihierarchical quantum repeaters based on moderate lifetime quantum memories

NASA Astrophysics Data System (ADS)

Liu, Xiao; Zhou, Zong-Quan; Hua, Yi-Lin; Li, Chuan-Feng; Guo, Guang-Can

2017-01-01

The construction of large-scale quantum networks relies on the development of practical quantum repeaters. Many approaches have been proposed with the goal of outperforming the direct transmission of photons, but most of them are inefficient or difficult to implement with current technology. Here, we present a protocol that uses a semihierarchical structure to improve the entanglement distribution rate while reducing the requirement of memory time to a range of tens of milliseconds. This protocol can be implemented with a fixed distance of elementary links and fixed requirements on quantum memories, which are independent of the total distance. This configuration is especially suitable for scalable applications in large-scale quantum networks.

Quantum transitions through cosmological singularities

NASA Astrophysics Data System (ADS)

Bramberger, Sebastian F.; Hertog, Thomas; Lehners, Jean-Luc; Vreys, Yannick

2017-07-01

In a quantum theory of cosmology spacetime behaves classically only in limited patches of the configuration space on which the wave function of the universe is defined. Quantum transitions can connect classical evolution in different patches. Working in the saddle point approximation and in minisuperspace we compute quantum transitions connecting inflationary histories across a de Sitter like throat or a singularity. This supplies probabilities for how an inflating universe, when evolved backwards, transitions and branches into an ensemble of histories on the opposite side of a quantum bounce. Generalising our analysis to scalar potentials with negative regions we identify saddle points describing a quantum transition between a classically contracting, crunching ekpyrotic phase and an inflationary universe.

Theory of Spin States of Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Ponomarev, I. V.; Reinecke, T. L.; Scheibner, M.; Stinaff, E. A.; Bracker, A. S.; Doty, M. F.; Gammon, D.; Korenev, V. L.

2007-04-01

The photoluminescence spectrum of an asymmetric pair of coupled InAs quantum dots in an applied electric field shows a rich pattern of level anticrossings, crossings and fine structure that can be understood as a superposition of charge and spin configurations. We present a theoretical model that provides a description of the energy positions and intensities of the optical transitions in exciton, biexciton and charged exciton states of coupled quantum dots molecules.

An optimized full-configuration-interaction nuclear orbital approach to a ``hard-core'' interaction problem: Application to (3He)N-Cl2(B) clusters (N<=4)

NASA Astrophysics Data System (ADS)

de Lara-Castells, M. P.; Villarreal, P.; Delgado-Barrio, G.; Mitrushchenkov, A. O.

2009-11-01

An efficient full-configuration-interaction nuclear orbital treatment has been recently developed as a benchmark quantum-chemistry-like method to calculate ground and excited "solvent" energies and wave functions in small doped ΔEest clusters (N ≤4) [M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, and A. O. Mitrushchenkov, J. Chem. Phys. 125, 221101 (2006)]. Additional methodological and computational details of the implementation, which uses an iterative Jacobi-Davidson diagonalization algorithm to properly address the inherent "hard-core" He-He interaction problem, are described here. The convergence of total energies, average pair He-He interaction energies, and relevant one- and two-body properties upon increasing the angular part of the one-particle basis set (expanded in spherical harmonics) has been analyzed, considering Cl2 as the dopant and a semiempirical model (T-shaped) He-Cl2(B) potential. Converged results are used to analyze global energetic and structural aspects as well as the configuration makeup of the wave functions, associated with the ground and low-lying "solvent" excited states. Our study reveals that besides the fermionic nature of H3e atoms, key roles in determining total binding energies and wave-function structures are played by the strong repulsive core of the He-He potential as well as its very weak attractive region, the most stable arrangement somehow departing from the one of N He atoms equally spaced on equatorial "ring" around the dopant. The present results for N =4 fermions indicates the structural "pairing" of two H3e atoms at opposite sides on a broad "belt" around the dopant, executing a sort of asymmetric umbrella motion. This pairing is a compromise between maximizing the H3e-H3e and the He-dopant attractions, and suppressing at the same time the "hard-core" repulsion. Although the He-He attractive interaction is rather weak, its contribution to the total energy is found to scale as a power of three and it thus increasingly affects the pair density distributions as the cluster grows in size.

A universal quantum information processor for scalable quantum communication and networks

PubMed Central

Yang, Xihua; Xue, Bolin; Zhang, Junxiang; Zhu, Shiyao

2014-01-01

Entanglement provides an essential resource for quantum computation, quantum communication, and quantum networks. How to conveniently and efficiently realize the generation, distribution, storage, retrieval, and control of multipartite entanglement is the basic requirement for realistic quantum information processing. Here, we present a theoretical proposal to efficiently and conveniently achieve a universal quantum information processor (QIP) via atomic coherence in an atomic ensemble. The atomic coherence, produced through electromagnetically induced transparency (EIT) in the Λ-type configuration, acts as the QIP and has full functions of quantum beam splitter, quantum frequency converter, quantum entangler, and quantum repeater. By employing EIT-based nondegenerate four-wave mixing processes, the generation, exchange, distribution, and manipulation of light-light, atom-light, and atom-atom multipartite entanglement can be efficiently and flexibly achieved in a deterministic way with only coherent light fields. This method greatly facilitates the operations in quantum information processing, and holds promising applications in realistic scalable quantum communication and quantum networks. PMID:25316514

Apparatus and method for enabling quantum-defect-limited conversion efficiency in cladding-pumped Raman fiber lasers

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

Heebner, John E.; Sridharan, Arun K.; Dawson, Jay Walter

Cladding-pumped Raman fiber lasers and amplifiers provide high-efficiency conversion efficiency at high brightness enhancement. Differential loss is applied to both single-pass configurations appropriate for pulsed amplification and laser oscillator configurations applied to high average power cw source generation.

Determination of absolute configuration of natural products: theoretical calculation of electronic circular dichroism as a tool

USDA-ARS?s Scientific Manuscript database

Determination of absolute configuration (AC) is one of the most challenging features in the structure elucidation of chiral natural products, especially those with complex structures. With revolutionary advancements in the area of quantum chemical calculations of chiroptical spectroscopy over the pa...

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.

Density effects on electronic configurations in dense plasmas

NASA Astrophysics Data System (ADS)

Faussurier, Gérald; Blancard, Christophe

2018-02-01

We present a quantum mechanical model to describe the density effects on electronic configurations inside a plasma environment. Two different approaches are given by starting from a quantum average-atom model. Illustrations are shown for an aluminum plasma in local thermodynamic equilibrium at solid density and at a temperature of 100 eV and in the thermodynamic conditions of a recent experiment designed to characterize the effects of the ionization potential depression treatment. Our approach compares well with experiment and is consistent in that case with the approach of Stewart and Pyatt to describe the ionization potential depression rather than with the method of Ecker and Kröll.

A quantum annealing architecture with all-to-all connectivity from local interactions.

PubMed

Lechner, Wolfgang; Hauke, Philipp; Zoller, Peter

2015-10-01

Quantum annealers are physical devices that aim at solving NP-complete optimization problems by exploiting quantum mechanics. The basic principle of quantum annealing is to encode the optimization problem in Ising interactions between quantum bits (qubits). A fundamental challenge in building a fully programmable quantum annealer is the competing requirements of full controllable all-to-all connectivity and the quasi-locality of the interactions between physical qubits. We present a scalable architecture with full connectivity, which can be implemented with local interactions only. The input of the optimization problem is encoded in local fields acting on an extended set of physical qubits. The output is-in the spirit of topological quantum memories-redundantly encoded in the physical qubits, resulting in an intrinsic fault tolerance. Our model can be understood as a lattice gauge theory, where long-range interactions are mediated by gauge constraints. The architecture can be realized on various platforms with local controllability, including superconducting qubits, NV-centers, quantum dots, and atomic systems.

A quantum annealing architecture with all-to-all connectivity from local interactions

PubMed Central

Lechner, Wolfgang; Hauke, Philipp; Zoller, Peter

2015-01-01

Quantum annealers are physical devices that aim at solving NP-complete optimization problems by exploiting quantum mechanics. The basic principle of quantum annealing is to encode the optimization problem in Ising interactions between quantum bits (qubits). A fundamental challenge in building a fully programmable quantum annealer is the competing requirements of full controllable all-to-all connectivity and the quasi-locality of the interactions between physical qubits. We present a scalable architecture with full connectivity, which can be implemented with local interactions only. The input of the optimization problem is encoded in local fields acting on an extended set of physical qubits. The output is—in the spirit of topological quantum memories—redundantly encoded in the physical qubits, resulting in an intrinsic fault tolerance. Our model can be understood as a lattice gauge theory, where long-range interactions are mediated by gauge constraints. The architecture can be realized on various platforms with local controllability, including superconducting qubits, NV-centers, quantum dots, and atomic systems. PMID:26601316

Spin effects in transport through triangular quantum dot molecule in different geometrical configurations

NASA Astrophysics Data System (ADS)

Wrześniewski, Kacper; Weymann, Ireneusz

2015-07-01

We analyze the spin-resolved transport properties of a triangular quantum dot molecule weakly coupled to external ferromagnetic leads. The calculations are performed by using the real-time diagrammatic technique up to the second-order of perturbation theory, which enables a description of both the sequential and cotunneling processes. We study the behavior of the current and differential conductance in the parallel and antiparallel magnetic configurations, as well as the tunnel magnetoresistance (TMR) and the Fano factor in both the linear and nonlinear response regimes. It is shown that the transport characteristics depend greatly on how the system is connected to external leads. Two specific geometrical configurations of the device are considered—the mirror one, which possesses the reflection symmetry with respect to the current flow direction and the fork one, in which this symmetry is broken. In the case of first configuration we show that, depending on the bias and gate voltages, the system exhibits both enhanced TMR and super-Poissonian shot noise. On the other hand, when the system is in the second configuration, we predict a negative TMR and a negative differential conductance in certain transport regimes. The mechanisms leading to those effects are thoroughly discussed.

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions.

PubMed

Kurnosov, A; Cacciatore, M; Pirani, F; Laganà, A; Martí, C; Garcia, E

2017-07-13

We report in this paper an investigation on energy transfer processes from vibration to vibration and/or translation in thermal and subthermal regimes for the O 2 + N 2 system performed using quantum-classical calculations on different empirical, semiempirical, and ab initio potential energy surfaces. In particular, the paper focuses on the rationalization of the non-Arrhenius behavior (inversion of the temperature dependence) of the quasi-resonant vibration-to-vibration energy transfer transition rate coefficients at threshold. To better understand the microscopic nature of the involved processes, we pushed the calculations to the detail of the related cross sections and analyzed the impact of the medium and long-range components of the interaction on them. Furthermore, the variation with temperature of the dependence of the quasi-resonant rate coefficient on the vibrational energy gap between initial and final vibrational states and the effectiveness of quantum-classical calculations to overcome the limitations of the purely classical treatments were also investigated. These treatments, handled in an open molecular science fashion by chaining data and competencies of the various laboratories using a grid empowered molecular simulator, have allowed a rationalization of the dependence of the computed rate coefficients in terms of the distortion of the O 2 -N 2 configuration during the diatom-diatom collisions. A way of relating such distortions to a smooth and continuous progress variable, allowing a proper evolution from both long to closer range formulation of the interaction and from its entrance to exit channel (through the strong interaction region) relaxed graphical representations, is also discussed in the paper.

Interacting lattice systems with quantum dissipation: A quantum Monte Carlo study

NASA Astrophysics Data System (ADS)

Yan, Zheng; Pollet, Lode; Lou, Jie; Wang, Xiaoqun; Chen, Yan; Cai, Zi

2018-01-01

Quantum dissipation arises when a large system can be split in a quantum system and an environment to which the energy of the former flows. Understanding the effect of dissipation on quantum many-body systems is of particular importance due to its potential relationship with quantum information. We propose a conceptually simple approach to introduce dissipation into interacting quantum systems in a thermodynamical context, in which every site of a one-dimensional (1D) lattice is coupled off-diagonally to its own bath. The interplay between quantum dissipation and interactions gives rise to counterintuitive interpretations such as a compressible zero-temperature state with spontaneous discrete symmetry breaking and a thermal phase transition in a 1D dissipative quantum many-body system as revealed by quantum Monte Carlo path-integral simulations.

Theoretical Analysis About Quantum Noise Squeezing of Optical Fields From an Intracavity Frequency-Doubled Laser

NASA Technical Reports Server (NTRS)

Zhang, Kuanshou; Xie, Changde; Peng, Kunchi

1996-01-01

The dependence of the quantum fluctuation of the output fundamental and second-harmonic waves upon cavity configuration has been numerically calculated for the intracavity frequency-doubled laser. The results might provide a direct reference for the design of squeezing system through the second-harmonic-generation.

Role of C–N Configurations in the Photoluminescence of Graphene Quantum Dots Synthesized by a Hydrothermal Route

PubMed Central

Permatasari, Fitri Aulia; Aimon, Akfiny Hasdi; Iskandar, Ferry; Ogi, Takashi; Okuyama, Kikuo

2016-01-01

Graphene quantum dots (GQDs) containing N atoms were successfully synthesized using a facile, inexpensive, and environmentally friendly hydrothermal reaction of urea and citric acid, and the effect of the GQDs’ C–N configurations on their photoluminescence (PL) properties were investigated. High-resolution transmission electron microscopy (HR-TEM) images confirmed that the dots were spherical, with an average diameter of 2.17 nm. X-ray photoelectron spectroscopy (XPS) analysis indicated that the C–N configurations of the GQDs substantially affected their PL intensity. Increased PL intensity was obtained in areas with greater percentages of pyridinic-N and lower percentages of pyrrolic-N. This enhanced PL was attributed to delocalized π electrons from pyridinic-N contributing to the C system of the GQDs. On the basis of energy electron loss spectroscopy (EELS) and UV-Vis spectroscopy analyses, we propose a PL mechanism for hydrothermally synthesized GQDs. PMID:26876153

Quantum chaos in the Heisenberg spin chain: The effect of Dzyaloshinskii-Moriya interaction.

PubMed

Vahedi, J; Ashouri, A; Mahdavifar, S

2016-10-01

Using one-dimensional spin-1/2 systems as prototypes of quantum many-body systems, we study the emergence of quantum chaos. The main purpose of this work is to answer the following question: how the spin-orbit interaction, as a pure quantum interaction, may lead to the onset of quantum chaos? We consider the three integrable spin-1/2 systems: the Ising, the XX, and the XXZ limits and analyze whether quantum chaos develops or not after the addition of the Dzyaloshinskii-Moriya interaction. We find that depending on the strength of the anisotropy parameter, the answer is positive for the XXZ and Ising models, whereas no such evidence is observed for the XX model. We also discuss the relationship between quantum chaos and thermalization.

Impact excitation and electron-hole multiplication in graphene and carbon nanotubes.

PubMed

Gabor, Nathaniel M

2013-06-18

In semiconductor photovoltaics, photoconversion efficiency is governed by a simple competition: the incident photon energy is either transferred to the crystal lattice (heat) or transferred to electrons. In conventional materials, energy loss to the lattice is more efficient than energy transferred to electrons, thus limiting the power conversion efficiency. Quantum electronic systems, such as quantum dots, nanowires, and two-dimensional electronic membranes, promise to tip the balance in this competition by simultaneously limiting energy transfer to the lattice and enhancing energy transfer to electrons. By exploring the optical, thermal, and electronic properties of quantum materials, we may perhaps find an ideal optoelectronic material that provides low cost fabrication, facile systems integration, and a means to surpass the standard limit for photoconversion efficiency. Nanoscale carbon materials, such as graphene and carbon nanotubes, provide ideal experimental quantum systems in which to explore optoelectronic behavior for applications in solar energy harvesting. Within essentially the same material, researchers can achieve a broad spectrum of energetic configurations, from a gapless semimetal to a large band-gap semiconducting nanowire. Owing to their nanoscale dimensions, graphene and carbon nanotubes exhibit electronic and optical properties that reflect strong electron-electron interactions. Such strong interactions may lead to exotic low-energy electron transport behavior and high-energy electron scattering processes such as impact excitation and the inverse process of Auger recombination. High-energy processes, which become very important under photoexcitation, may be particularly efficient in nanoscale carbon materials due to the relativistic-like, charged particle band structure and sensitivity to the dielectric environment. In addition, due to the covalently bonded carbon framework that makes up these materials, electron-phonon coupling is very weak. In carbon nanomaterials, strong electron-electron interactions combined with weak electron-phonon interactions results in excellent optical, thermal and electronic properties, the exploration of which promises to reveal fundamentally new physical processes and deliver advanced nanotechnologies. In this Account, we review the results of novel optoelectronic experiments that explore the intrinsic photoresponse of carbon nanomaterials integrated into nanoscale devices. By fabricating gate voltage-controlled photodetectors composed of atomically thin sheets of graphene and individual carbon nanotubes, we are able to fully explore electron transport in these systems under optical illumination. We find that strong electron-electron interactions play a key role in the intrinsic photoresponse of both materials, as evidenced by hot carrier transport in graphene and highly efficient multiple electron-hole pair generation in nanotubes. In both of these quantum systems, photoexcitation leads to high-energy electron-hole pairs that relax energy predominantly into the electronic system, rather than heating the lattice. Due to highly efficient energy transfer from photons into electrons, graphene and carbon nanotubes may be ideal materials for solar energy harvesting devices with efficiencies that could exceed the Shockley-Queisser limit.

Quantum Monte Carlo for the x-ray absorption spectrum of pyrrole at the nitrogen K-edge

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

Zubarev, Dmitry Yu.; Austin, Brian M.; Lester, William A. Jr.

Fixed-node diffusion Monte Carlo (FNDMC) is used to simulate the x-ray absorption spectrum of a gas-phase pyrrole molecule at the nitrogen K-edge. Trial wave functions for core-excited states are constructed from ground-state Kohn-Sham determinants substituted with singly occupied natural orbitals from configuration interaction with single excitations calculations of the five lowest valence-excited triplet states. The FNDMC ionization potential (IP) is found to lie within 0.3 eV of the experimental value of 406.1 {+-} 0.1 eV. The transition energies to anti-bonding virtual orbitals match the experimental spectrum after alignment of IP values and agree with the existing assignments.

Ab initio MCHF structural calculations of Mg-like cerium

NASA Astrophysics Data System (ADS)

Wajid, Abdul; Jabeen, S.; Husain, Abid

2018-05-01

Energy levels and emission line wavelengths of high-Z materials are useful for impurity diagnostics in the next generation fusion devices. For this here we have calculated E1, M2 transitions, oscillator strengths, and transition probabilities for transitions among the terms belonging to the 2p63s2, 2p63s3p, 2p63p2 and 2p63s3d for the Magnesium like cerium (Ce XLVII) using the GRASP2K package based on the fully relativistic multi-configuration Dirac-Fock method. The electron correlation effects, Breit interaction and quantum electrodynamics effects to the atomic state wave functions and the corresponding energies have been taken into account.

On the role of Fe ions on magnetic properties of doped TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Tolea, F.; Grecu, M. N.; Kuncser, V.; Constantinescu, S. Gr.; Ghica, D.

2015-04-01

The role of iron doping on magnetic properties of hydrothermal anatase TiO2:57Fe (0-1 at. %) nanoparticles is investigated by combining superconducting quantum interference device magnetometry with Mössbauer and electron paramagnetic resonance techniques. The results on both as-prepared and thermally treated samples in reduced air atmosphere reveal complexity of magnetic interactions, in connection to certain iron ion electron configurations and defects (oxygen vacancies, F-center, and Ti3+ ions). The distribution of iron ions is predominantly at nanoparticle surface layers. Formation of weak ferromagnetic domains up to 380 K is mainly related to defects, supporting the bound magnetic polaron model.

Quenching of Excited Na due to He Collisions

NASA Technical Reports Server (NTRS)

Lin, C. Y.; Stancil, P. C.; Liebermann, H. P.; Funke, P.; Buenker, R. J.

2006-01-01

The quenching and elastic scattering of excited Sodium by collisions with Helium have been investigated for energies between 10(exp -13) eV and 10 eV. With the ab initio adiabatic potentials and nonadiabatic radial and rotational couplings obtained from multireference single- and double-excitation configuration interaction approach, we carried out scattering calculations by the quantum-mechanical molecular-orbital close-coupling method. Cross sections for quenching reactions and elastic collisions are presented. Quenching and elastic collisional rate coefficients as a function of temperature between 1 micro-K and 10,000 K are also obtained. The results are relevant to modeling non-LTE effects on Na D absorption lines in extrasolar planets and brown dwarfs.

Spin Seebeck effect in a metal-single-molecule-magnet-metal junction

NASA Astrophysics Data System (ADS)

Niu, Pengbin; Liu, Lixiang; Su, Xiaoqiang; Dong, Lijuan; Luo, Hong-Gang

2018-01-01

We investigate the nonlinear regime of temperature-driven spin-related currents through a single molecular magnet (SMM), which is connected with two metal electrodes. Under a large spin approximation, the SMM is simplified to a natural two-channel model possessing spin-opposite configuration and Coulomb interaction. We find that in temperature-driven case the system can generate spin-polarized currents. More interestingly, at electron-hole symmetry point, the competition of the two channels induces a temperature-driven pure spin current. This device demonstrates that temperature-driven SMM junction shows some results different from the usual quantum dot model, which may be useful in the future design of thermal-based molecular spintronic devices.

Quantum state detection and state preparation based on cavity-enhanced nonlinear interaction of atoms with single photon

NASA Astrophysics Data System (ADS)

Hosseini, Mahdi

Our ability to engineer quantum states of light and matter has significantly advanced over the past two decades, resulting in the production of both Gaussian and non-Gaussian optical states. The resulting tailored quantum states enable quantum technologies such as quantum optical communication, quantum sensing as well as quantum photonic computation. The strong nonlinear light-atom interaction is the key to deterministic quantum state preparation and quantum photonic processing. One route to enhancing the usually weak nonlinear light-atom interactions is to approach the regime of cavity quantum electrodynamics (cQED) interaction by means of high finesse optical resonators. I present results from the MIT experiment of large conditional cross-phase modulation between a signal photon, stored inside an atomic quantum memory, and a control photon that traverses a high-finesse optical cavity containing the atomic memory. I also present a scheme to probabilistically change the amplitude and phase of a signal photon qubit to, in principle, arbitrary values by postselection on a control photon that has interacted with that state. Notably, small changes of the control photon polarization measurement basis by few degrees can substantially change the amplitude and phase of the signal state. Finally, I present our ongoing effort at Purdue to realize similar peculiar quantum phenomena at the single photon level on chip scale photonic systems.

Thermal conductivity and dielectric functions of alkali chloride XCl (X = Li, Na, K and Rb): a first-principles study

NASA Astrophysics Data System (ADS)

Xu, M.; Yang, J. Y.; Liu, L. H.

2016-07-01

The macroscopic physical properties of solids are fundamentally determined by the interactions among microscopic electrons, phonons and photons. In this work, the thermal conductivity and infrared-visible-ultraviolet dielectric functions of alkali chlorides and their temperature dependence are fully investigated at the atomic level, seeking to unveil the microscopic quantum interactions beneath the macroscopic properties. The microscopic phonon-phonon interaction dominates the thermal conductivity which can be investigated by the anharmonic lattice dynamics in combination with Peierls-Boltzmann transport equation. The photon-phonon and electron-photon interaction intrinsically induce the infrared and visible-ultraviolet dielectric functions, respectively, and such microscopic processes can be simulated by first-principles molecular dynamics without empirical parameters. The temperature influence on dielectric functions can be effectively included by choosing the thermally equilibrated configurations as the basic input to calculate the total dipole moment and electronic band structure. The overall agreement between first-principles simulations and literature experiments enables us to interpret the macroscopic thermal conductivity and dielectric functions of solids in a comprehensive way.

Theoretical Studies of Dissociative Recombination of Electrons with SH+ Ions

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; di Nallo, O. E.; Hickman, A. P.; Mezei, J. Zs.; Colboc, F.; Schneider, I. F.; Chakrabarti, K.; Talbi, D.

2017-04-01

We are investigating the dissociative recombination (DR) of electrons with the molecular ion SH+, i.e. e- +SH+ -> S + H . SH+ is found in the interstellar medium (ISM), and little is known concerning its chemistry. Understanding the role of DR of electrons with SH+ will lead to more accurate astrophysical models. Large active-space multi-reference configuration interaction (MRCI) electronic structure calculations were performed using the GAMESS code to obtain ground and excited 2 Π state potential energy curves (PECs) for several values of SH separation. Core-excited Rydberg states have proven to be of huge importance. The block diagonalization method was used to disentangle interacting states and form a diabatic representation of the PECs. Currently we are performing dynamics calculations using Multichannel Quantum Defect Theory (MQDT) to obtain DR rates. The status of the work will be presented at the conference. Work supported by the French CNRS, the NSF, the XSEDE, and USMA.

Theoretical Studies of Dissociative Recombination of Electrons with SH+ Ions

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; di Nallo, O. E.; Hickman, A. P.; Mezei, J. Zs.; Colboc, F.; Schneider, I. F.; Chakrabarti, K.; Talbi, D.

2016-05-01

We are investigating the dissociative recombination (DR) of electrons with the molecular ion SH+, i.e. e- +SH+ --> S + H . SH+ is found in the interstellar medium (ISM), and little is known concerning its chemistry. Understanding the role of DR of electrons with SH+ will lead to more accurate astrophysical models. Large active-space multi-reference configuration interaction (MRCI) electronic structure calculations were performed using the GAMESS code to obtain ground and excited 2 Π state potential energy curves (PECs) for several values of SH separation. Core-excited Rydberg states have proven to be of huge importance. The block diagonalization method was used to disentangle interacting states and form a diabatic representation of the PECs. Currently we are performing dynamics calculations using Multichannel Quantum Defect Theory (MQDT) to obtain DR rates. The status of the work will be presented at the conference. work supported by the French CNRS, the NSF, the XSEDE, and USMA.

Quantization and superselection sectors III: Multiply connected spaces and indistinguishable particles

NASA Astrophysics Data System (ADS)

Landsman, N. P. Klaas

2016-09-01

We reconsider the (non-relativistic) quantum theory of indistinguishable particles on the basis of Rieffel’s notion of C∗-algebraic (“strict”) deformation quantization. Using this formalism, we relate the operator approach of Messiah and Greenberg (1964) to the configuration space approach pioneered by Souriau (1967), Laidlaw and DeWitt-Morette (1971), Leinaas and Myrheim (1977), and others. In dimension d > 2, the former yields bosons, fermions, and paraparticles, whereas the latter seems to leave room for bosons and fermions only, apparently contradicting the operator approach as far as the admissibility of parastatistics is concerned. To resolve this, we first prove that in d > 2 the topologically non-trivial configuration spaces of the second approach are quantized by the algebras of observables of the first. Secondly, we show that the irreducible representations of the latter may be realized by vector bundle constructions, among which the line bundles recover the results of the second approach. Mathematically speaking, representations on higher-dimensional bundles (which define parastatistics) cannot be excluded, which render the configuration space approach incomplete. Physically, however, we show that the corresponding particle states may always be realized in terms of bosons and/or fermions with an unobserved internal degree of freedom (although based on non-relativistic quantum mechanics, this conclusion is analogous to the rigorous results of the Doplicher-Haag-Roberts analysis in algebraic quantum field theory, as well as to the heuristic arguments which led Gell-Mann and others to QCD (i.e. Quantum Chromodynamics)).

Quantum cascade light emitting diodes based on type-2 quantum wells

NASA Technical Reports Server (NTRS)

Lin, C. H.; Yang, R. Q.; Zhang, D.; Murry, S. J.; Pei, S. S.; Allerman, A. A.; Kurtz, S. R.

1997-01-01

The authors have demonstrated room-temperature CW operation of type-2 quantum cascade (QC) light emitting diodes at 4.2 (micro)m using InAs/InGaSb/InAlSb type-2 quantum wells. The type-2 QC configuration utilizes sequential multiple photon emissions in a staircase of coupled type-2 quantum wells. The device was grown by molecular beam epitaxy on a p-type GaSb substrate and was compared of 20 periods of active regions separated by digitally graded quantum well injection regions. The maximum average output power is about 250 (micro)W at 80 K, and 140 (micro)W at 300 K at a repetition rate of 1 kHz with a duty cycle of 50%.

Long distance quantum teleportation in a quantum relay configuration.

PubMed

de Riedmatten, H; Marcikic, I; Tittel, W; Zbinden, H; Collins, D; Gisin, N

2004-01-30

A long distance quantum teleportation experiment with a fiber-delayed Bell state measurement (BSM) is reported. The source creating the qubits to be teleported and the source creating the necessary entangled state are connected to the beam splitter realizing the BSM by two 2 km long optical fibers. In addition, the teleported qubits are analyzed after 2.2 km of optical fiber, in another laboratory separated by 55 m. Time-bin qubits carried by photons at 1310 nm are teleported onto photons at 1550 nm. The fidelity is of 77%, above the maximal value obtainable without entanglement. This is the first realization of an elementary quantum relay over significant distances, which will allow an increase in the range of quantum communication and quantum key distribution.

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure

NASA Astrophysics Data System (ADS)

Zaboli, Maryam; Raissi, Heidar

2018-01-01

In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇2ρ(r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2 ns.

Review of the fermionic dark matter model applied to galactic structures

NASA Astrophysics Data System (ADS)

Krut, A.; Argüelles, C. R.; Rueda, J.; Ruffini, R.

2015-12-01

Baryonic components (e.g. bulge and disk) of galactic structures are assumed to be embedded in an isothermal dark matter halo of fermionic nature. Besides the Pauli principle only gravitational interaction is considered. Using the underlying Fermi-Dirac phase space distribution, typical of collisionless relaxation processes, it yields an one-parameter family of scaled solutions which reproduces the observed flat rotation curves in galaxies, and additionally predicts a degenerate core through their centers. In order to provide the right DM halo properties of galaxies a set of four parameters (particle mass, degeneracy parameter at the galactic center, central density and the velocity dispersion) is necessary. The more general density profile shows three regimes depending on radius: an almost uniform very dense quantum core followed by a steep fall, a plateau in the diluted regime and a Boltzmannian tail representing the halo. In contrast to purely Boltzmannian configurations the fermionic DM model containing a quantum core allows to determine the particle mass. We show that the quantum core can be well approximated by a polytrope of index n = 3/2, while the halo can be perfectly described by an isothermal sphere with a halo scale length radius equal to approximately 3/4 of the King-radius.

Review of the fermionic dark matter model applied to galactic structures

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

Krut, A.; Argüelles, C. R.; Rueda, J.

2015-12-17

Baryonic components (e.g. bulge and disk) of galactic structures are assumed to be embedded in an isothermal dark matter halo of fermionic nature. Besides the Pauli principle only gravitational interaction is considered. Using the underlying Fermi-Dirac phase space distribution, typical of collisionless relaxation processes, it yields an one-parameter family of scaled solutions which reproduces the observed flat rotation curves in galaxies, and additionally predicts a degenerate core through their centers. In order to provide the right DM halo properties of galaxies a set of four parameters (particle mass, degeneracy parameter at the galactic center, central density and the velocity dispersion)more » is necessary. The more general density profile shows three regimes depending on radius: an almost uniform very dense quantum core followed by a steep fall, a plateau in the diluted regime and a Boltzmannian tail representing the halo. In contrast to purely Boltzmannian configurations the fermionic DM model containing a quantum core allows to determine the particle mass. We show that the quantum core can be well approximated by a polytrope of index n = 3/2, while the halo can be perfectly described by an isothermal sphere with a halo scale length radius equal to approximately 3/4 of the King-radius.« less

Internal proton transfer and H2 rotations in the H5(+) cluster: a marked influence on its thermal equilibrium state.

PubMed

de Tudela, Ricardo Pérez; Barragán, Patricia; Prosmiti, Rita; Villarreal, Pablo; Delgado-Barrio, Gerardo

2011-03-31

Classical and path integral Monte Carlo (CMC, PIMC) "on the fly" calculations are carried out to investigate anharmonic quantum effects on the thermal equilibrium structure of the H5(+) cluster. The idea to follow in our computations is based on using a combination of the above-mentioned nuclear classical and quantum statistical methods, and first-principles density functional (DFT) electronic structure calculations. The interaction energies are computed within the DFT framework using the B3(H) hybrid functional, specially designed for hydrogen-only systems. The global minimum of the potential is predicted to be a nonplanar configuration of C(2v) symmetry, while the next three low-lying stationary points on the surface correspond to extremely low-energy barriers for the internal proton transfer and to the rotation of the H2 molecules, around the C2 axis of H5(+), connecting the symmetric C(2v) minima in the planar and nonplanar orientations. On the basis of full-dimensional converged PIMC calculations, results on the quantum vibrational zero-point energy (ZPE) and state of H5(+) are reported at a low temperature of 10 K, and the influence of the above-mentioned topological features of the surface on its probability distributions is clearly demonstrated.

Emergent quasicrystals in strongly correlated systems

NASA Astrophysics Data System (ADS)

Sagi, Eran; Nussinov, Zohar

2016-07-01

Commensurability is of paramount importance in numerous strongly interacting electronic systems. In the fractional quantum Hall effect, a rich cascade of increasingly narrow plateaux appear at larger denominator filling fractions. Rich commensurate structures also emerge, at certain filling fractions, in high temperature superconductors and other electronic systems. A natural question concerns the character of these and other electronic systems at irrational filling fractions. Here we demonstrate that quasicrystalline structures naturally emerge in these situations, and trigger behaviors not typically expected of periodic systems. We first show that irrationally filled quantum Hall systems cross over into quasiperiodically ordered configuration in the thin-torus limit. Using known properties of quasicrystals, we argue that these states are unstable against the effects of disorder, in agreement with the existence of quantum Hall plateaux. We then study analogous physical situations in a system of cold Rydberg atoms placed on an optical lattice. Such an experimental setup is generally disorder free, and can therefore be used to detect the emergent quasicrystals we predict. We discuss similar situations in the Falicov-Kimball model, where known exact results can be used to establish quasicrystalline structures in one and two dimensions. We briefly speculate on possible relations between our theoretical findings and the existence of glassy dynamics and other features of strongly correlated electronic systems.

Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers: Ab initio molecular orbital-configuration interaction based quantum master equation study

NASA Astrophysics Data System (ADS)

Kishi, Ryohei; Minami, Takuya; Fukui, Hitoshi; Takahashi, Hideaki; Nakano, Masayoshi

2008-06-01

The core molecule dependence of energy (exciton) migration in phenylacetylene nanostar dendrimers is investigated using the ab initio molecular orbital (MO)-configuration interaction based quantum master equation approach. We examine three kinds of core molecular species, i.e., benzene, anthracene, and pentacene, with different highest occupied MO-lowest unoccupied MO (HOMO-LUMO) gaps, which lead to different orbital interactions between the dendron parts and the core molecule. The nanostars bearing anthracene and pentacene cores are characterized by multistep exciton states with spatially well-segmented distributions: The exciton distributions of high-lying exciton states are spatially localized well in the periphery region, whereas those of low-lying exciton states are done in the core region. On the other hand, for the nanostar bearing benzene core, which also has multistep exciton states, the spatial exciton distributions of low-lying exciton states are delocalized over the dendron and the core regions. It is found that the former nanostars exhibit nearly complete exciton migration from the periphery to the core molecule in contrast to the latter one, in which significant exciton distribution remains in the dendron parts attached to the core after the exciton relaxation, although all these dendrimers exhibit fast exciton relaxation from the initially populated states. It is predicted from the analysis based on the MO correlation diagrams and the relative relaxation factor that the complete exciton migration to the core occurs not only when the HOMO-LUMO gap of the core molecule is nearly equal to that of the dendron parts attached to the core (anthracene case) but also when fairly smaller than that (pentacene case), whereas the complete migration is not achieved when the HOMO-LUMO gap of the core is larger than that of the dendron parts (benzene case). These results suggest that the fast and complete exciton migration of real dendrimers could be realized by adjusting the HOMO-LUMO gap of the core molecule to be smaller than that of dendron parts, although there exist more complicated relaxation processes as compared to simple dendritic aggregate models studied so far.

Electrical and mechanical tuning of a silicon vacancy defect in SiC for quantum information technology

NASA Astrophysics Data System (ADS)

Soykal, Oney O.; Reinecke, Thomas L.

We develop coherent control via Stark effect over the optical transition energies of silicon monovacancy deep center in hexagonal silicon carbide. We show that this defect's unique asymmetry properties of its piezoelectric tensor and Kramer's degenerate high-spin ground/excited state configurations can be used to create new possibilities in quantum information technology ranging from photonic networks to quantum key distribution. We also give examples of its qubit implementations via precise electric field control. This work was supported in part by ONR and by the Office of Secretary of Defense, Quantum Science and Engineering Program.

Quantum correction to classical gravitational interaction between two polarizable objects

NASA Astrophysics Data System (ADS)

Wu, Puxun; Hu, Jiawei; Yu, Hongwei

2016-12-01

When gravity is quantized, there inevitably exist quantum gravitational vacuum fluctuations which induce quadrupole moments in gravitationally polarizable objects and produce a quantum correction to the classical Newtonian interaction between them. Here, based upon linearized quantum gravity and the leading-order perturbation theory, we study, from a quantum field-theoretic prospect, this quantum correction between a pair of gravitationally polarizable objects treated as two-level harmonic oscillators. We find that the interaction potential behaves like r-11 in the retarded regime and r-10 in the near regime. Our result agrees with what were recently obtained in different approaches. Our study seems to indicate that linearized quantum gravity is robust in dealing with quantum gravitational effects at low energies.

Methods of approaching decoherence in the flavor sector due to space-time foam

NASA Astrophysics Data System (ADS)

Mavromatos, N. E.; Sarkar, Sarben

2006-08-01

In the first part of this work we discuss possible effects of stochastic space-time foam configurations of quantum gravity on the propagation of “flavored” (Klein-Gordon and Dirac) neutral particles, such as neutral mesons and neutrinos. The formalism is not the usually assumed Lindblad one, but it is based on random averages of quantum fluctuations of space-time metrics over which the propagation of the matter particles is considered. We arrive at expressions for the respective oscillation probabilities between flavors which are quite distinct from the ones pertaining to Lindblad-type decoherence, including in addition to the (expected) Gaussian decay with time, a modification to oscillation behavior, as well as a power-law cutoff of the time-profile of the respective probability. In the second part we consider space-time foam configurations of quantum-fluctuating charged-black holes as a way of generating (parts of) neutrino mass differences, mimicking appropriately the celebrated Mikheyev-Smirnov-Wolfenstein (MSW) effects of neutrinos in stochastically fluctuating random media. We pay particular attention to disentangling genuine quantum-gravity effects from ordinary effects due to the propagation of a neutrino through ordinary matter. Our results are of interest to precision tests of quantum-gravity models using neutrinos as probes.

In silico approach to investigating the adsorption mechanisms of short chain perfluorinated sulfonic acids and perfluorooctane sulfonic acid on hydrated hematite surface.

PubMed

Feng, Hongru; Lin, Yuan; Sun, Yuzhen; Cao, Huiming; Fu, Jianjie; Gao, Ke; Zhang, Aiqian

2017-05-01

Short chain perfluorinated sulfonic acids (PFSAs) that were introduced as alternatives for perfluorooctane sulfonic acid (PFOS) have been widely produced and used. However, few studies have investigated the environmental process of short chain PFSAs, and the related adsorption mechanisms still need to be uncovered. The water-oxide interface is one of the major environmental interfaces that plays an important role in affecting the adsorption behaviour and transport potential of the environmental pollutant. In this study, we performed molecular dynamics simulations and quantum chemistry calculations to investigate the adsorption mechanisms of five PFSAs and their adsorption on hydrated hematite surface as well. Different to the vertical configuration reported for PFOS on titanium oxide, all PFSAs share the same adsorption configuration as the long carbon chains parallel to the surface. The formation of hydrogen bonds between F and inter-surface H helps to stabilize the unique configuration. As a result, the sorption capacity increases with increasing C-F chain length. Moreover, both calculated adsorption energy and partial density of states (PDOS) analysis demonstrate a PFSAs adsorption mechanism in between physical and chemical adsorption because the hydrogen bonds formed by the overlap of F (p) orbital and H (s) orbital are weak intermolecular interactions while the physical adsorption are mainly ascribed to the electrostatic interactions. This massive calculation provides a new insight into the pollutant adsorption behaviour, and in particular, may help to evaluate the environmental influence of pollutants. Copyright © 2017. Published by Elsevier Ltd.

Dual band QWIP focal plane array

NASA Technical Reports Server (NTRS)

Gunapala, Sarath D. (Inventor); Choi, Kwong Kit (Inventor); Bandara, Sumith V. (Inventor)

2005-01-01

A quantum well infrared photodetector (QWIP) that provides two-color image sensing. Two different quantum wells are configured to absorb two different wavelengths. The QWIPs are arrayed in a focal plane array (FPA). The two-color QWIPs are selected for readout by selective electrical contact with the two different QWIPs or by the use of two different wavelength sensitive gratings.

Experimental study of a quantum random-number generator based on two independent lasers

NASA Astrophysics Data System (ADS)

Sun, Shi-Hai; Xu, Feihu

2017-12-01

A quantum random-number generator (QRNG) can produce true randomness by utilizing the inherent probabilistic nature of quantum mechanics. Recently, the spontaneous-emission quantum phase noise of the laser has been widely deployed for quantum random-number generation, due to its high rate, its low cost, and the feasibility of chip-scale integration. Here, we perform a comprehensive experimental study of a phase-noise-based QRNG with two independent lasers, each of which operates in either continuous-wave (CW) or pulsed mode. We implement the QRNG by operating the two lasers in three configurations, namely, CW + CW, CW + pulsed, and pulsed + pulsed, and demonstrate their trade-offs, strengths, and weaknesses.

The Strange (Hi)story of Particles and Waves

NASA Astrophysics Data System (ADS)

Zeh, H. Dieter

2016-03-01

This is an attempt of a non-technical but conceptually consistent presentation of quantum theory in a historical context. While the first part is written for a general readership, Section 5 may appear a bit provocative to some quantum physicists. I argue that the single-particle wave functions of quantum mechanics have to be correctly interpreted as field modes that are "occupied once" (i.e. first excited states of the corresponding quantum oscillators in the case of boson fields). Multiple excitations lead to apparent many-particle wave functions, while the quantum states proper are defined by wave function(al)s on the "configuration" space of fundamental fields, or on another, as yet elusive, fundamental local basis.

Communication theory of quantum systems. Ph.D. Thesis, 1970

NASA Technical Reports Server (NTRS)

Yuen, H. P. H.

1971-01-01

Communication theory problems incorporating quantum effects for optical-frequency applications are discussed. Under suitable conditions, a unique quantum channel model corresponding to a given classical space-time varying linear random channel is established. A procedure is described by which a proper density-operator representation applicable to any receiver configuration can be constructed directly from the channel output field. Some examples illustrating the application of our methods to the development of optical quantum channel representations are given. Optimizations of communication system performance under different criteria are considered. In particular, certain necessary and sufficient conditions on the optimal detector in M-ary quantum signal detection are derived. Some examples are presented. Parameter estimation and channel capacity are discussed briefly.

Wave function, spectrum and effective mass of holes in 2 D quantum antiferromagnet

NASA Astrophysics Data System (ADS)

Su, Zhao-bin; Ll, Yan-min; Lai, Wu-yan; Yu, Lu

1989-12-01

A new quantum Bogoliubov-de Gennes (BdeG) formalism is developed to study the self-consistent motion of holes on an quantum antiferromagnetic (QAFM) background within the generalized t- J model. The local distortion of spin configurations and the renormalization of the hole motion due to virtual excitations of the distorted spin background are treated on an equal footing. The hole wave function and its spectrum, as well as the effective mass for a propagating hole are calculated explicitly.

Comparison of coherently coupled multi-cavity and quantum dot embedded single cavity systems.

PubMed

Kocaman, Serdar; Sayan, Gönül Turhan

2016-12-12

Temporal group delays originating from the optical analogue to electromagnetically induced transparency (EIT) are compared in two systems. Similar transmission characteristics are observed between a coherently coupled high-Q multi-cavity array and a single quantum dot (QD) embedded cavity in the weak coupling regime. However, theoretically generated group delay values for the multi-cavity case are around two times higher. Both configurations allow direct scalability for chip-scale optical pulse trapping and coupled-cavity quantum electrodynamics (QED).

Reactions of Copper and Silver Cations with Carbon Dioxide: An Infrared Photodissociation Spectroscopic and Theoretical Study.

PubMed

Zhao, Zhi; Kong, Xiangtao; Yang, Dong; Yuan, Qinqin; Xie, Hua; Fan, Hongjun; Zhao, Jijun; Jiang, Ling

2017-05-04

The reaction of copper and silver cations with carbon dioxide was studied by mass-selected infrared photodissociation spectroscopy. Quantum chemical calculations were performed on these products, which aided the experimental assignments of the infrared spectra and helped to elucidate the geometrical and electronic structures. The Cu + and Ag + cations bind to an oxygen atom of CO 2 in an end-on configuration via a charge-quadrupole electrostatic interaction in the [M(CO 2 ) n ] + complexes. The formation of oxide-carbonyl and carbonyl-carbonate structures is not favored for the interaction of CO 2 with Cu + and Ag + . For n = 3 and 4, the n + 0 structure is preferred. [Note on the nomenclature: Using i + j, i denotes the number of CO 2 molecules in the first coordination shell, and j denotes the number of CO 2 molecules in the second coordination shell.] The two nearly energy-identical n + 0 and (n - 1) + 1 structures coexist in n = 5 and 6. While the six-coordinated structure is favored for [Cu(CO 2 ) n=7,8 ] + , the n + 0 configuration is dominated in [Ag(CO 2 ) n=7,8 ] + . The reaction of CO 2 with the cationic metal atoms has been compared to that with the neutral and anionic metal atoms, which would have important implications for understanding the interaction of CO 2 with reduction catalysts and rationally designing catalysts for CO 2 reduction based on cost-effective transition metals.

Spin-chain model of a many-body quantum battery

NASA Astrophysics Data System (ADS)

Le, Thao P.; Levinsen, Jesper; Modi, Kavan; Parish, Meera M.; Pollock, Felix A.

2018-02-01

Recently, it has been shown that energy can be deposited on a collection of quantum systems at a rate that scales superextensively. Some of these schemes for quantum batteries rely on the use of global many-body interactions that take the batteries through a correlated shortcut in state space. Here we extend the notion of a quantum battery from a collection of a priori isolated systems to a many-body quantum system with intrinsic interactions. Specifically, we consider a one-dimensional spin chain with physically realistic two-body interactions. We find that the spin-spin interactions can yield an advantage in charging power over the noninteracting case and we demonstrate that this advantage can grow superextensively when the interactions are long ranged. However, we show that, unlike in previous work, this advantage is a mean-field interaction effect that does not involve correlations and that relies on the interactions being intrinsic to the battery.

Quantum dot in interacting environments

NASA Astrophysics Data System (ADS)

Rylands, Colin; Andrei, Natan

2018-04-01

A quantum impurity attached to an interacting quantum wire gives rise to an array of new phenomena. Using the Bethe Ansatz we solve exactly models describing two geometries of a quantum dot coupled to an interacting quantum wire: a quantum dot that is (i) side coupled and (ii) embedded in a Luttinger liquid. We find the eigenstates and determine the spectrum through the Bethe Ansatz equations. Using this we derive exact expressions for the ground-state dot occupation. The thermodynamics are then studied using the thermodynamics Bethe Ansatz equations. It is shown that at low energies the dot becomes fully hybridized and acts as a backscattering impurity or tunnel junction depending on the geometry and furthermore that the two geometries are related by changing the sign of the interactions. Although remaining strongly coupled for all values of the interaction in the wire, there exists competition between the tunneling and backscattering leading to a suppression or enhancement of the dot occupation depending on the sign of the bulk interactions.

Quantum Bose-Hubbard model with an evolving graph as a toy model for emergent spacetime

NASA Astrophysics Data System (ADS)

Hamma, Alioscia; Markopoulou, Fotini; Lloyd, Seth; Caravelli, Francesco; Severini, Simone; Markström, Klas

2010-05-01

We present a toy model for interacting matter and geometry that explores quantum dynamics in a spin system as a precursor to a quantum theory of gravity. The model has no a priori geometric properties; instead, locality is inferred from the more fundamental notion of interaction between the matter degrees of freedom. The interaction terms are themselves quantum degrees of freedom so that the structure of interactions and hence the resulting local and causal structures are dynamical. The system is a Hubbard model where the graph of the interactions is a set of quantum evolving variables. We show entanglement between spatial and matter degrees of freedom. We study numerically the quantum system and analyze its entanglement dynamics. We analyze the asymptotic behavior of the classical model. Finally, we discuss analogues of trapped surfaces and gravitational attraction in this simple model.

Simulation of wave packet tunneling of interacting identical particles

NASA Astrophysics Data System (ADS)

Lozovik, Yu. E.; Filinov, A. V.; Arkhipov, A. S.

2003-02-01

We demonstrate a different method of simulation of nonstationary quantum processes, considering the tunneling of two interacting identical particles, represented by wave packets. The used method of quantum molecular dynamics (WMD) is based on the Wigner representation of quantum mechanics. In the context of this method ensembles of classical trajectories are used to solve quantum Wigner-Liouville equation. These classical trajectories obey Hamiltonian-like equations, where the effective potential consists of the usual classical term and the quantum term, which depends on the Wigner function and its derivatives. The quantum term is calculated using local distribution of trajectories in phase space, therefore, classical trajectories are not independent, contrary to classical molecular dynamics. The developed WMD method takes into account the influence of exchange and interaction between particles. The role of direct and exchange interactions in tunneling is analyzed. The tunneling times for interacting particles are calculated.

An Integrated Development Environment for Adiabatic Quantum Programming

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

Humble, Travis S; McCaskey, Alex; Bennink, Ryan S

2014-01-01

Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware raises the question of how well quantum programs perform. Benchmarking behavior is challenging since the multiple steps to synthesize an adiabatic quantum program are highly tunable. We present an adiabatic quantum programming environment called JADE that provides control over all the steps taken during program development. JADE captures the workflow needed to rigorously benchmark performance while also allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation enginemore » that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its use for benchmarking adiabatic quantum programs.« less

Meson Spectroscopy in the Light Quark Sector

NASA Astrophysics Data System (ADS)

De Vita, R.

2014-03-01

Understanding the hadron spectrum is one of the fundamental issues in modern particle physics. We know that existing hadron configurations include baryons, made of three quarks, and mesons, made of quark-antiquark pairs. However most of the mass of the hadrons is not due to the mass of these elementary constituents but to their binding force. Studying the hadron spectrum is therefore a tool to understand one of the fundamental forces in nature, the strong force, and Quantum Chromo Dynamics (QCD), the theory that describes it. This investigation can provide an answer to fundamental questions as what is the origin of the mass of hadrons, what is the origin of quark confinement, what are the relevant degrees of freedom to describe these complex systems and how the transition between the elementary constituents, quarks and gluons, and baryons and mesons occurs. In this field a key tool is given by meson spectroscopy. Mesons, being made by a quark and an anti-quark, are the simplest quark bound system and therefore the ideal benchmark to study the interaction between quarks and understand what the role of gluons is. In this investigation, it is fundamental to precisely determine the spectrum and properties of mesons but also to search for possible unconventional states beyond the qbar q configuration as tetraquarks (qqoverline{qq}), hybrids (qbar qg) and glueballs. These states can be distinguished unambiguously from regular mesons when they have exotic quantum numbers, i.e. combinations of total angular momentum, spin and parity that are not allowed for qbar q states. These are called exotic quantum numbers and the corresponding states are referred to as exotics. The study of the meson spectrum and the search for exotics is among the goals of several experiments in the world that exploit different reaction processes, as e+e- annihilation, pbar p annihilation, pion scattering, proton-proton scattering and photo-production, to produce meson states. This intense effort is leading to a very rich phenomenology in this sector and, together with recent theoretical progress achieved with lattice QCD calculations, is providing crucial information to reach a deeper understanding of strong interaction. In these proceedings I will review the present status of meson spectroscopy in the light quark sector and the plans and perspectives for future experiments.

Enhancing light-harvesting power with coherent vibrational interactions: A quantum heat engine picture

NASA Astrophysics Data System (ADS)

Killoran, N.; Huelga, S. F.; Plenio, M. B.

2015-10-01

Recent evidence suggests that quantum effects may have functional importance in biological light-harvesting systems. Along with delocalized electronic excitations, it is now suspected that quantum coherent interactions with certain near-resonant vibrations may contribute to light-harvesting performance. However, the actual quantum advantage offered by such coherent vibrational interactions has not yet been established. We investigate a quantum design principle, whereby coherent exchange of single energy quanta between electronic and vibrational degrees of freedom can enhance a light-harvesting system's power above what is possible by thermal mechanisms alone. We present a prototype quantum heat engine which cleanly illustrates this quantum design principle and quantifies its quantum advantage using thermodynamic measures of performance. We also demonstrate the principle's relevance in parameter regimes connected to natural light-harvesting structures.

STIC: Photonic Quantum Computation through Cavity Assisted Interaction

DTIC Science & Technology

2007-12-28

PRA ; available as quant-ph/06060791. Report for the grant “Photonic Quantum Computation through Cavity Assisted Interaction” from DTO Luming Duan...cavity •B. Wang, L.-M. Duan, PRA 72 (in press, 2005) Single-photon source Photonic Quantum Computation through Cavity-Assisted Interaction H. Jeff Kimble...interaction [Duan, Wang, Kimble, PRA 05] • “Investigate more efficient methods for combating noise in photonic quantum computation ” • Partial progress

Spacetime Replication of Quantum Information Using (2 , 3) Quantum Secret Sharing and Teleportation

NASA Astrophysics Data System (ADS)

Wu, Yadong; Khalid, Abdullah; Davijani, Masoud; Sanders, Barry

The aim of this work is to construct a protocol to replicate quantum information in any valid configuration of causal diamonds and assess resources required to physically realize spacetime replication. We present a set of codes to replicate quantum information along with a scheme to realize these codes using continuous-variable quantum optics. We use our proposed experimental realizations to determine upper bounds on the quantum and classical resources required to simulate spacetime replication. For four causal diamonds, our implementation scheme is more efficient than the one proposed previously. Our codes are designed using a decomposition algorithm for complete directed graphs, (2 , 3) quantum secret sharing, quantum teleportation and entanglement swapping. These results show the simulation of spacetime replication of quantum information is feasible with existing experimental methods. Alberta Innovates, NSERC, China's 1000 Talent Plan and the Institute for Quantum Information and Matter, which is an NSF Physics Frontiers Center (NSF Grant PHY-1125565) with support of the Gordon and Betty Moore Foundation (GBMF-2644).

Experimental characterization of quantum correlated triple beams generated by cascaded four-wave mixing processes

NASA Astrophysics Data System (ADS)

Qin, Zhongzhong; Cao, Leiming; Jing, Jietai

2015-05-01

Quantum correlations and entanglement shared among multiple modes are fundamental ingredients of most continuous-variable quantum technologies. Recently, a method used to generate multiple quantum correlated beams using cascaded four-wave mixing (FWM) processes was theoretically proposed and experimentally realized by our group [Z. Qin et al., Phys. Rev. Lett. 113, 023602 (2014)]. Our study of triple-beam quantum correlation paves the way to showing the tripartite entanglement in our system. Our system also promises to find applications in quantum information and precision measurement such as the controlled quantum communications, the generation of multiple quantum correlated images, and the realization of a multiport nonlinear interferometer. For its applications, the degree of quantum correlation is a crucial figure of merit. In this letter, we experimentally study how various parameters, such as the cell temperatures, one-photon, and two-photon detunings, influence the degree of quantum correlation between the triple beams generated from the cascaded two-FWM configuration.

Experimental characterization of quantum correlated triple beams generated by cascaded four-wave mixing processes

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

Qin, Zhongzhong; Cao, Leiming; Jing, Jietai, E-mail: jtjing@phy.ecnu.edu.cn

2015-05-25

Quantum correlations and entanglement shared among multiple modes are fundamental ingredients of most continuous-variable quantum technologies. Recently, a method used to generate multiple quantum correlated beams using cascaded four-wave mixing (FWM) processes was theoretically proposed and experimentally realized by our group [Z. Qin et al., Phys. Rev. Lett. 113, 023602 (2014)]. Our study of triple-beam quantum correlation paves the way to showing the tripartite entanglement in our system. Our system also promises to find applications in quantum information and precision measurement such as the controlled quantum communications, the generation of multiple quantum correlated images, and the realization of a multiportmore » nonlinear interferometer. For its applications, the degree of quantum correlation is a crucial figure of merit. In this letter, we experimentally study how various parameters, such as the cell temperatures, one-photon, and two-photon detunings, influence the degree of quantum correlation between the triple beams generated from the cascaded two-FWM configuration.« less

Relation between quantum fluctuations and the performance enhancement of quantum annealing in a nonstoquastic Hamiltonian

NASA Astrophysics Data System (ADS)

Susa, Yuki; Jadebeck, Johann F.; Nishimori, Hidetoshi

2017-04-01

We study the relation between quantum fluctuations and the significant enhancement of the performance of quantum annealing in a mean-field Hamiltonian. First-order quantum phase transitions were shown to be reduced to second order by antiferromagnetic transverse interactions in a mean-field-type many-body-interacting Ising spin system in a transverse field, which means an exponential speedup of quantum annealing by adiabatic quantum computation. We investigate if and how quantum effects manifest themselves around these first- and second-order phase transitions to understand if the antiferromagnetic transverse interactions appended to the conventional transverse-field Ising model induce notable quantum effects. By measuring the proximity of the semiclassical spin-coherent state to the true ground state as well as the magnitude of the concurrence representing entanglement, we conclude that significant quantum fluctuations exist around second-order transitions, whereas quantum effects are much less prominent at first-order transitions. Although the location of the transition point can be predicted by the classical picture, system properties near the transition need quantum-mechanical descriptions for a second-order transition but not necessarily for first order. It is also found that quantum fluctuations are large within the ferromagnetic phase after a second-order transition from the paramagnetic phase. These results suggest that the antiferromagnetic transverse interactions induce marked quantum effects, and this fact would be related to closely to the significant enhancement of the performance of quantum annealing.

Determinism Beneath Composite Quantum Systems

NASA Astrophysics Data System (ADS)

Blasone, Massimo; Vitiello, Giuseppe; Jizba, Petr; Scardigli, Fabio

This paper aims at the development of 't Hooft's quantization proposal to describe composite quantum mechanical systems. In particular, we show how 't Hooft's method can be utilized to obtain from two classical Bateman oscillators a composite quantum system corresponding to a quantum isotonic oscillator. For a suitable range of parameters, the composite system can be also interpreted as a particle in an effective magnetic field interacting through a spin-orbital interaction term. In the limit of a large separation from the interaction region we can identify the irreducible subsystems with two independent quantum oscillators.

A device-oriented optimizer for solving ground state problems on an approximate quantum computer, Part II: Experiments for interacting spin and molecular systems

NASA Astrophysics Data System (ADS)

Kandala, Abhinav; Mezzacapo, Antonio; Temme, Kristan; Bravyi, Sergey; Takita, Maika; Chavez-Garcia, Jose; Córcoles, Antonio; Smolin, John; Chow, Jerry; Gambetta, Jay

Hybrid quantum-classical algorithms can be used to find variational solutions to generic quantum problems. Here, we present an experimental implementation of a device-oriented optimizer that uses superconducting quantum hardware. The experiment relies on feedback between the quantum device and classical optimization software which is robust to measurement noise. Our device-oriented approach uses naturally available interactions for the preparation of trial states. We demonstrate the application of this technique for solving interacting spin and molecular structure problems.

Photoconductivity of few-layered p-WSe2 phototransistors via multi-terminal measurements

NASA Astrophysics Data System (ADS)

Pradhan, Nihar R.; Garcia, Carlos; Holleman, Joshua; Rhodes, Daniel; Parker, Chason; Talapatra, Saikat; Terrones, Mauricio; Balicas, Luis; McGill, Stephen A.

2016-12-01

Recently, two-dimensional materials and in particular transition metal dichalcogenides (TMDs) have been extensively studied because of their strong light-matter interaction and the remarkable optoelectronic response of their field-effect transistors (FETs). Here, we report a photoconductivity study from FETs built from few-layers of p-WSe2 measured in a multi-terminal configuration under illumination by a 532 nm laser source. The photogenerated current was measured as a function of the incident optical power, of the drain-to-source bias and of the gate voltage. We observe a considerably larger photoconductivity when the phototransistors were measured via a four-terminal configuration when compared to a two-terminal one. For an incident laser power of 248 nW, we extract 18 A W-1 and ˜4000% for the two-terminal responsivity (R) and the concomitant external quantum efficiency (EQE) respectively, when a bias voltage V ds = 1 V and a gate voltage V bg = 10 V are applied to the sample. R and EQE are observed to increase by 370% to ˜85 A W-1 and ˜20 000% respectively, when using a four-terminal configuration. Thus, we conclude that previous reports have severely underestimated the optoelectronic response of transition metal dichalcogenides, which in fact reveals a remarkable potential for photosensing applications.

A magnetic phase-transition graphene transistor with tunable spin polarization

NASA Astrophysics Data System (ADS)

Vancsó, Péter; Hagymási, Imre; Tapasztó, Levente

2017-06-01

Graphene nanoribbons (GNRs) have been proposed as potential building blocks for field effect transistor (FET) devices due to their quantum confinement bandgap. Here, we propose a novel GNR device concept, enabling the control of both charge and spin signals, integrated within the simplest three-terminal device configuration. In a conventional FET device, a gate electrode is employed to tune the Fermi level of the system in and out of a static bandgap. By contrast, in the switching mechanism proposed here, the applied gate voltage can dynamically open and close an interaction gap, with only a minor shift of the Fermi level. Furthermore, the strong interplay of the band structure and edge spin configuration in zigzag ribbons enables such transistors to carry spin polarized current without employing an external magnetic field or ferromagnetic contacts. Using an experimentally validated theoretical model, we show that such transistors can switch at low voltages and high speed, and the spin polarization of the current can be tuned from 0% to 50% by using the same back gate electrode. Furthermore, such devices are expected to be robust against edge irregularities and can operate at room temperature. Controlling both charge and spin signal within the simplest FET device configuration could open up new routes in data processing with graphene based devices.

High-Density Quantum Sensing with Dissipative First Order Transitions

NASA Astrophysics Data System (ADS)

Raghunandan, Meghana; Wrachtrup, Jörg; Weimer, Hendrik

2018-04-01

The sensing of external fields using quantum systems is a prime example of an emergent quantum technology. Generically, the sensitivity of a quantum sensor consisting of N independent particles is proportional to √{N }. However, interactions invariably occurring at high densities lead to a breakdown of the assumption of independence between the particles, posing a severe challenge for quantum sensors operating at the nanoscale. Here, we show that interactions in quantum sensors can be transformed from a nuisance into an advantage when strong interactions trigger a dissipative phase transition in an open quantum system. We demonstrate this behavior by analyzing dissipative quantum sensors based upon nitrogen-vacancy defect centers in diamond. Using both a variational method and a numerical simulation of the master equation describing the open quantum many-body system, we establish the existence of a dissipative first order transition that can be used for quantum sensing. We investigate the properties of this phase transition for two- and three-dimensional setups, demonstrating that the transition can be observed using current experimental technology. Finally, we show that quantum sensors based on dissipative phase transitions are particularly robust against imperfections such as disorder or decoherence, with the sensitivity of the sensor not being limited by the T2 coherence time of the device. Our results can readily be applied to other applications in quantum sensing and quantum metrology where interactions are currently a limiting factor.

High-Density Quantum Sensing with Dissipative First Order Transitions.

PubMed

Raghunandan, Meghana; Wrachtrup, Jörg; Weimer, Hendrik

2018-04-13

The sensing of external fields using quantum systems is a prime example of an emergent quantum technology. Generically, the sensitivity of a quantum sensor consisting of N independent particles is proportional to sqrt[N]. However, interactions invariably occurring at high densities lead to a breakdown of the assumption of independence between the particles, posing a severe challenge for quantum sensors operating at the nanoscale. Here, we show that interactions in quantum sensors can be transformed from a nuisance into an advantage when strong interactions trigger a dissipative phase transition in an open quantum system. We demonstrate this behavior by analyzing dissipative quantum sensors based upon nitrogen-vacancy defect centers in diamond. Using both a variational method and a numerical simulation of the master equation describing the open quantum many-body system, we establish the existence of a dissipative first order transition that can be used for quantum sensing. We investigate the properties of this phase transition for two- and three-dimensional setups, demonstrating that the transition can be observed using current experimental technology. Finally, we show that quantum sensors based on dissipative phase transitions are particularly robust against imperfections such as disorder or decoherence, with the sensitivity of the sensor not being limited by the T_{2} coherence time of the device. Our results can readily be applied to other applications in quantum sensing and quantum metrology where interactions are currently a limiting factor.

Quantum simulation of transverse Ising models with Rydberg atoms

NASA Astrophysics Data System (ADS)

Schauss, Peter

2018-04-01

Quantum Ising models are canonical models for the study of quantum phase transitions (Sachdev 1999 Quantum Phase Transitions (Cambridge: Cambridge University Press)) and are the underlying concept for many analogue quantum computing and quantum annealing ideas (Tanaka et al Quantum Spin Glasses, Annealing and Computation (Cambridge: Cambridge University Press)). Here we focus on the implementation of finite-range interacting Ising spin models, which are barely tractable numerically. Recent experiments with cold atoms have reached the interaction-dominated regime in quantum Ising magnets via optical coupling of trapped neutral atoms to Rydberg states. This approach allows for the tunability of all relevant terms in an Ising spin Hamiltonian with 1/{r}6 interactions in transverse and longitudinal fields. This review summarizes the recent progress of these implementations in Rydberg lattices with site-resolved detection. Strong correlations in quantum Ising models have been observed in several experiments, starting from a single excitation in the superatom regime up to the point of crystallization. The rapid progress in this field makes spin systems based on Rydberg atoms a promising platform for quantum simulation because of the unmatched flexibility and strength of interactions combined with high control and good isolation from the environment.

Designing Learning Environments to Teach Interactive Quantum Physics

ERIC Educational Resources Information Center

Puente, Sonia M. Gomez; Swagten, Henk J. M.

2012-01-01

This study aims at describing and analysing systematically an interactive learning environment designed to teach Quantum Physics, a second-year physics course. The instructional design of Quantum Physics is a combination of interactive lectures (using audience response systems), tutorials and self-study in unit blocks, carried out with small…

A variational Monte Carlo study of different spin configurations of electron-hole bilayer

NASA Astrophysics Data System (ADS)

Sharma, Rajesh O.; Saini, L. K.; Bahuguna, Bhagwati Prasad

2018-05-01

We report quantum Monte Carlo results for mass-asymmetric electron-hole bilayer (EHBL) system with different-different spin configurations. Particularly, we apply a variational Monte Carlo method to estimate the ground-state energy, condensate fraction and pair-correlations function at fixed density rs = 5 and interlayer distance d = 1 a.u. We find that spin-configuration of EHBL system, which consists of only up-electrons in one layer and down-holes in other i.e. ferromagnetic arrangement within layers and anti-ferromagnetic across the layers, is more stable than the other spin-configurations considered in this study.

Application of the Landau-Zener-Stückelberg-Majorana dynamics to the electrically driven flip of a hole spin

NASA Astrophysics Data System (ADS)

Pasek, W. J.; Maialle, M. Z.; Degani, M. H.

2018-03-01

An idea of employing the Landau-Zener-Stückelberg-Majorana dynamics to flip a spin of a single ground state hole is introduced and explored by a time-dependent simulation. This configuration interaction study considers a hole confined in a quantum molecule formed in an InSb 〈111 〉 quantum wire by application of an electrostatic potential. An up-down spin-mixing avoided crossing is formed by nonaxial terms in the Kohn-Luttinger Hamiltonian and the Dresselhaus spin-orbit one. Manipulation of the system is possible by the dynamic change of an external vertical electric field, which enables the consecutive driving of the hole through two anticrossings. Moreover, a simple model of the power-law-type noise that impedes precise electric control of the system is included in the form of random telegraph noise to estimate the limitations of the working conditions. We show that in principle the process is possible, but it requires precise control of the parameters of the driving impulse.

Correlated electron-nuclear dissociation dynamics: classical versus quantum motion

NASA Astrophysics Data System (ADS)

Schaupp, Thomas; Albert, Julian; Engel, Volker

2017-01-01

We investigate the coupled electron-nuclear dynamics in a model system which undergoes dissociation. In choosing different initial conditions, the cases of adiabatic and non-adiabatic dissociation are realized. We treat the coupled electronic and nuclear motion in the complete configuration space so that classically, no surface hopping procedures have to be incorporated in the case that more than a single adiabatic electronic state is populated during the fragmentation. Due to the anharmonic interaction potential, it is expected that classical mechanics substantially deviate from quantum mechanics. However, we provide examples where the densities and fragmentation yields obtained from the two treatments are in astonishingly strong agreement in the case that one starts in the electronic ground state initially. As expected, larger deviations are found if one starts in electronically excited states where trajectories are sampled from the more spatially extended electronic wave function. In that case, higher initial energies are accessed, and the motion proceeds in regions with increasing degree of anharmonicity. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Reconfigurable exciton-plasmon interconversion for nanophotonic circuits

PubMed Central

Lee, Hyun Seok; Luong, Dinh Hoa; Kim, Min Su; Jin, Youngjo; Kim, Hyun; Yun, Seokjoon; Lee, Young Hee

2016-01-01

The recent challenges for improving the operation speed of nanoelectronics have motivated research on manipulating light in on-chip integrated circuits. Hybrid plasmonic waveguides with low-dimensional semiconductors, including quantum dots and quantum wells, are a promising platform for realizing sub-diffraction limited optical components. Meanwhile, two-dimensional transition metal dichalcogenides (TMDs) have received broad interest in optoelectronics owing to tightly bound excitons at room temperature, strong light-matter and exciton-plasmon interactions, available top-down wafer-scale integration, and band-gap tunability. Here, we demonstrate principal functionalities for on-chip optical communications via reconfigurable exciton-plasmon interconversions in ∼200-nm-diameter Ag-nanowires overlapping onto TMD transistors. By varying device configurations for each operation purpose, three active components for optical communications are realized: field-effect exciton transistors with a channel length of ∼32 μm, field-effect exciton multiplexers transmitting multiple signals through a single NW and electrical detectors of propagating plasmons with a high On/Off ratio of∼190. Our results illustrate the unique merits of two-dimensional semiconductors for constructing reconfigurable device architectures in integrated nanophotonic circuits. PMID:27892463

Conformational analysis and vibrational spectroscopy of a paracetamol analogous: 2-Bromo-N-(2-hydroxy-5-methylphenyl)-2-methylpropanamide

NASA Astrophysics Data System (ADS)

Viana, Rommel B.; Quintero, David E.; Viana, Anderson B.; Moreno-Fuquen, Rodolfo

2017-11-01

We conducted an experimental and quantum chemical investigation of the electronic properties and vibrational mode couplings of a structure analogous to a paracetamol (acetaminophen): 2-Bromo-N-(2-hydroxy-5-methylphenyl)-2-methylpropanamide. The spectroscopic and electronic properties were carried out with the PBE1PBE functional, and G3MP2 was used to predict the heat of formation. Among the E/Z stereoisomers, we showed that the energy gap ranged from 3 to 10 kcal mol-1; the relative stability among the regioisomers (involving the different positions of the methyl and hydroxyl groups) exhibited energy differences lower than 5 kcal mol-1. A topological analysis using the Quantum Theory of Atoms in Molecules (QTAIM) was performed to determine the intramolecular hydrogen bonds that govern the configuration changes, and the Natural Bond Orbital method was used to estimate the interplay between the steric and electrostatic interactions that stabilized each isomer. It was also estimated the influence of the population methodology in to predict the atomic charge distribution for the title compound.

Graph-theoretic quantum system modelling for neuronal microtubules as hierarchical clustered quantum Hopfield networks

NASA Astrophysics Data System (ADS)

Srivastava, D. P.; Sahni, V.; Satsangi, P. S.

2014-08-01

Graph-theoretic quantum system modelling (GTQSM) is facilitated by considering the fundamental unit of quantum computation and information, viz. a quantum bit or qubit as a basic building block. Unit directional vectors "ket 0" and "ket 1" constitute two distinct fundamental quantum across variable orthonormal basis vectors, for the Hilbert space, specifying the direction of propagation of information, or computation data, while complementary fundamental quantum through, or flow rate, variables specify probability parameters, or amplitudes, as surrogates for scalar quantum information measure (von Neumann entropy). This paper applies GTQSM in continuum of protein heterodimer tubulin molecules of self-assembling polymers, viz. microtubules in the brain as a holistic system of interacting components representing hierarchical clustered quantum Hopfield network, hQHN, of networks. The quantum input/output ports of the constituent elemental interaction components, or processes, of tunnelling interactions and Coulombic bidirectional interactions are in cascade and parallel interconnections with each other, while the classical output ports of all elemental components are interconnected in parallel to accumulate micro-energy functions generated in the system as Hamiltonian, or Lyapunov, energy function. The paper presents an insight, otherwise difficult to gain, for the complex system of systems represented by clustered quantum Hopfield network, hQHN, through the application of GTQSM construct.

Quantum many-body dynamics of strongly interacting atom arrays

NASA Astrophysics Data System (ADS)

Bernien, Hannes; Keesling, Alexander; Levine, Harry; Schwartz, Sylvain; Omran, Ahmed; Anschuetz, Eric; Endres, Manuel; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail

2017-04-01

The coherent interaction between large numbers of particles gives rise to fascinating quantum many-body effects and lies at the center of quantum simulations and quantum information processing. The development of systems consisting of many, well-controlled particles with tunable interactions is an outstanding challenge. Here we present a new platform based on large, reconfigurable arrays of individually trapped atoms. Strong interactions between these atoms are enabled by exciting them to Rydberg states. This flexible approach allows access to vastly different regimes with interactions tunable over several orders of magnitude. We study the coherent many-body dynamics in varying array geometries and observe the formation of Rydberg crystals.

Collapsing vortex filaments and the spectrum of quantum turbulence

NASA Astrophysics Data System (ADS)

Andryushchenko, V. A.; Nemirovskii, S. K.

2017-01-01

The method of correlation functions and the method of quantum vortex configurations are used to calculate the energy spectrum of a three-dimensional velocity field that is induced by collapsing (immediately before reconnection) vortex filaments. The formulation of this problem is motivated by the idea of modeling classical turbulence by a set of chaotic quantized vortex filaments. Among the various arguments that support the idea of quasi-classical behavior for quantum turbulence, the most persuasive is probably the resulting Kolmogorov energy spectrum resembling E ( k ) ∝ k - 5 / 3 that was obtained in a number of numerical studies. Another goal is associated with an important and intensely studied theme that relates to the role of hydrodynamic collapse in the formation of turbulence spectra. Calculations have demonstrated that vortex filaments create a velocity field at the moment of contact, which has a singularity. This configuration of vortex filaments generates the spectrum E(k), which bears the resemblance to the Kolmogorov law. A possible cause for this observation is discussed, as well as the likely reasons behind any deviations. The obtained results are discussed from the perspective of both classical and quantum turbulence.

Enhancing light-harvesting power with coherent vibrational interactions: A quantum heat engine picture

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

Killoran, N.; Huelga, S. F.; Plenio, M. B.

Recent evidence suggests that quantum effects may have functional importance in biological light-harvesting systems. Along with delocalized electronic excitations, it is now suspected that quantum coherent interactions with certain near-resonant vibrations may contribute to light-harvesting performance. However, the actual quantum advantage offered by such coherent vibrational interactions has not yet been established. We investigate a quantum design principle, whereby coherent exchange of single energy quanta between electronic and vibrational degrees of freedom can enhance a light-harvesting system’s power above what is possible by thermal mechanisms alone. We present a prototype quantum heat engine which cleanly illustrates this quantum design principlemore » and quantifies its quantum advantage using thermodynamic measures of performance. We also demonstrate the principle’s relevance in parameter regimes connected to natural light-harvesting structures.« less

The pentagon relation and incidence geometry

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

Doliwa, Adam, E-mail: doliwa@matman.uwm.edu.pl; Sergeev, Sergey M., E-mail: Sergey.Sergeev@canberra.edu.au

2014-06-01

We define a map S:D²×D²→D²×D², where D is an arbitrary division ring (skew field), associated with the Veblen configuration, and we show that such a map provides solutions to the functional dynamical pentagon equation. We explain that fact in elementary geometric terms using the symmetry of the Veblen and Desargues configurations. We introduce also another map of a geometric origin with the pentagon property. We show equivalence of these maps with recently introduced Desargues maps which provide geometric interpretation to a non-commutative version of Hirota's discrete Kadomtsev–Petviashvili equation. Finally, we demonstrate that in an appropriate gauge the (commutative version ofmore » the) maps preserves a natural Poisson structure—the quasiclassical limit of the Weyl commutation relations. The corresponding quantum reduction is then studied. In particular, we discuss uniqueness of the Weyl relations for the ultra-local reduction of the map. We give then the corresponding solution of the quantum pentagon equation in terms of the non-compact quantum dilogarithm function.« less

Submonolayer Quantum Dot Infrared Photodetector

NASA Technical Reports Server (NTRS)

Ting, David Z.; Bandara, Sumith V.; Gunapala, Sarath D.; Chang, Yia-Chang

2010-01-01

A method has been developed for inserting submonolayer (SML) quantum dots (QDs) or SML QD stacks, instead of conventional Stranski-Krastanov (S-K) QDs, into the active region of intersubband photodetectors. A typical configuration would be InAs SML QDs embedded in thin layers of GaAs, surrounded by AlGaAs barriers. Here, the GaAs and the AlGaAs have nearly the same lattice constant, while InAs has a larger lattice constant. In QD infrared photodetector, the important quantization directions are in the plane perpendicular to the normal incidence radiation. In-plane quantization is what enables the absorption of normal incidence radiation. The height of the S-K QD controls the positions of the quantized energy levels, but is not critically important to the desired normal incidence absorption properties. The SML QD or SML QD stack configurations give more control of the structure grown, retains normal incidence absorption properties, and decreases the strain build-up to allow thicker active layers for higher quantum efficiency.

A Quantum Dot with Spin-Orbit Interaction--Analytical Solution

ERIC Educational Resources Information Center

Basu, B.; Roy, B.

2009-01-01

The practical applicability of a semiconductor quantum dot with spin-orbit interaction gives an impetus to study analytical solutions to one- and two-electron quantum dots with or without a magnetic field.

Hydrodynamic and kinetic models for spin-1/2 electron-positron quantum plasmas: Annihilation interaction, helicity conservation, and wave dispersion in magnetized plasmas

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

Andreev, Pavel A., E-mail: andreevpa@physics.msu.ru

2015-06-15

We discuss the complete theory of spin-1/2 electron-positron quantum plasmas, when electrons and positrons move with velocities mach smaller than the speed of light. We derive a set of two fluid quantum hydrodynamic equations consisting of the continuity, Euler, spin (magnetic moment) evolution equations for each species. We explicitly include the Coulomb, spin-spin, Darwin and annihilation interactions. The annihilation interaction is the main topic of the paper. We consider the contribution of the annihilation interaction in the quantum hydrodynamic equations and in the spectrum of waves in magnetized electron-positron plasmas. We consider the propagation of waves parallel and perpendicular tomore » an external magnetic field. We also consider the oblique propagation of longitudinal waves. We derive the set of quantum kinetic equations for electron-positron plasmas with the Darwin and annihilation interactions. We apply the kinetic theory to the linear wave behavior in absence of external fields. We calculate the contribution of the Darwin and annihilation interactions in the Landau damping of the Langmuir waves. We should mention that the annihilation interaction does not change number of particles in the system. It does not related to annihilation itself, but it exists as a result of interaction of an electron-positron pair via conversion of the pair into virtual photon. A pair of the non-linear Schrodinger equations for the electron-positron plasmas including the Darwin and annihilation interactions is derived. Existence of the conserving helicity in electron-positron quantum plasmas of spinning particles with the Darwin and annihilation interactions is demonstrated. We show that the annihilation interaction plays an important role in the quantum electron-positron plasmas giving the contribution of the same magnitude as the spin-spin interaction.« less

Superadiabatic holonomic quantum computation in cavity QED

NASA Astrophysics Data System (ADS)

Liu, Bao-Jie; Huang, Zhen-Hua; Xue, Zheng-Yuan; Zhang, Xin-Ding

2017-06-01

Adiabatic quantum control is a powerful tool for quantum engineering and a key component in some quantum computation models, where accurate control over the timing of the involved pulses is not needed. However, the adiabatic condition requires that the process be very slow and thus limits its application in quantum computation, where quantum gates are preferred to be fast due to the limited coherent times of the quantum systems. Here, we propose a feasible scheme to implement universal holonomic quantum computation based on non-Abelian geometric phases with superadiabatic quantum control, where the adiabatic manipulation is sped up while retaining its robustness against errors in the timing control. Consolidating the advantages of both strategies, our proposal is thus both robust and fast. The cavity QED system is adopted as a typical example to illustrate the merits where the proposed scheme can be realized in a tripod configuration by appropriately controlling the pulse shapes and their relative strength. To demonstrate the distinct performance of our proposal, we also compare our scheme with the conventional adiabatic strategy.

Some foundational aspects of quantum computers and quantum robots.

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

Benioff, P.; Physics

1998-01-01

This paper addresses foundational issues related to quantum computing. The need for a universally valid theory such as quantum mechanics to describe to some extent its own validation is noted. This includes quantum mechanical descriptions of systems that do theoretical calculations (i.e. quantum computers) and systems that perform experiments. Quantum robots interacting with an environment are a small first step in this direction. Quantum robots are described here as mobile quantum systems with on-board quantum computers that interact with environments. Included are discussions on the carrying out of tasks and the division of tasks into computation and action phases. Specificmore » models based on quantum Turing machines are described. Differences and similarities between quantum robots plus environments and quantum computers are discussed.« less

Coherent and radiative couplings through two-dimensional structured environments

NASA Astrophysics Data System (ADS)

Galve, F.; Zambrini, R.

2018-03-01

We study coherent and radiative interactions induced among two or more quantum units by coupling them to two-dimensional (2D) lattices acting as structured environments. This model can be representative of atoms trapped near photonic crystal slabs, trapped ions in Coulomb crystals, or to surface acoustic waves on piezoelectric materials, cold atoms on state-dependent optical lattices, or even circuit QED architectures, to name a few. We compare coherent and radiative contributions for the isotropic and directional regimes of emission into the lattice, for infinite and finite lattices, highlighting their differences and existing pitfalls, e.g., related to long-time or large-lattice limits. We relate the phenomenon of directionality of emission with linear-shaped isofrequency manifolds in the dispersion relation, showing a simple way to disrupt it. For finite lattices, we study further details such as the scaling of resonant number of lattice modes for the isotropic and directional regimes, and relate this behavior with known van Hove singularities in the infinite lattice limit. Furthermore, we export the understanding of emission dynamics with the decay of entanglement for two quantum, atomic or bosonic, units coupled to the 2D lattice. We analyze in some detail completely subradiant configurations of more than two atoms, which can occur in the finite lattice scenario, in contrast with the infinite lattice case. Finally, we demonstrate that induced coherent interactions for dark states are zero for the finite lattice.

An efficient implementation of semiempirical quantum-chemical orthogonalization-corrected methods for excited-state dynamics

NASA Astrophysics Data System (ADS)

Liu, Jie; Thiel, Walter

2018-04-01

We present an efficient implementation of configuration interaction with single excitations (CIS) for semiempirical orthogonalization-corrected OMx methods and standard modified neglect of diatomic overlap (MNDO)-type methods for the computation of vertical excitation energies as well as analytical gradients and nonadiabatic couplings. This CIS implementation is combined with Tully's fewest switches algorithm to enable surface hopping simulations of excited-state nonadiabatic dynamics. We introduce an accurate and efficient expression for the semiempirical evaluation of nonadiabatic couplings, which offers a significant speedup for medium-size molecules and is suitable for use in long nonadiabatic dynamics runs. As a pilot application, the semiempirical CIS implementation is employed to investigate ultrafast energy transfer processes in a phenylene ethynylene dendrimer model.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms

NASA Astrophysics Data System (ADS)

Lester, Brian J.; Lin, Yiheng; Brown, Mark O.; Kaufman, Adam M.; Ball, Randall J.; Knill, Emanuel; Rey, Ana M.; Regal, Cindy A.

2018-05-01

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62 ±0.03 ). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model

NASA Astrophysics Data System (ADS)

Cosme, Jayson G.

2018-04-01

We numerically examine slow and hierarchical relaxation dynamics of interacting bosons described by a tilted two-band Bose-Hubbard model. The system is found to exhibit signatures of quantum chaos within the spectrum and the validity of the eigenstate thermalization hypothesis for relevant physical observables is demonstrated for certain parameter regimes. Using the truncated Wigner representation in the semiclassical limit of the system, dynamics of relevant observables reveal hierarchical relaxation and the appearance of prethermalized states is studied from the perspective of statistics of the underlying mean-field trajectories. The observed prethermalization scenario can be attributed to different stages of glassy dynamics in the mode-time configuration space due to dynamical phase transition between ergodic and nonergodic trajectories.

An efficient implementation of semiempirical quantum-chemical orthogonalization-corrected methods for excited-state dynamics.

PubMed

Liu, Jie; Thiel, Walter

2018-04-21

We present an efficient implementation of configuration interaction with single excitations (CIS) for semiempirical orthogonalization-corrected OMx methods and standard modified neglect of diatomic overlap (MNDO)-type methods for the computation of vertical excitation energies as well as analytical gradients and nonadiabatic couplings. This CIS implementation is combined with Tully's fewest switches algorithm to enable surface hopping simulations of excited-state nonadiabatic dynamics. We introduce an accurate and efficient expression for the semiempirical evaluation of nonadiabatic couplings, which offers a significant speedup for medium-size molecules and is suitable for use in long nonadiabatic dynamics runs. As a pilot application, the semiempirical CIS implementation is employed to investigate ultrafast energy transfer processes in a phenylene ethynylene dendrimer model.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms.

PubMed

Lester, Brian J; Lin, Yiheng; Brown, Mark O; Kaufman, Adam M; Ball, Randall J; Knill, Emanuel; Rey, Ana M; Regal, Cindy A

2018-05-11

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62±0.03). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Implementation of quantum logic gates via Stark-tuned Förster resonance in Rydberg atoms

NASA Astrophysics Data System (ADS)

Huang, Xi-Rong; Hu, Chang-Sheng; Shen, Li-Tuo; Yang, Zhen-Biao; Wu, Huai-Zhi

2018-02-01

We present a scheme for implementation of controlled-Z and controlled-NOT gates via rapid adiabatic passage and Stark-tuned Förster resonance. By sweeping the Förster resonance once without passing through it and adiabatically tuning the angle-dependent Rydberg-Rydberg interaction of the dipolar nature, the system can be effectively described by a two-level system with the adiabatic theorem. The single adiabatic passage leads to a gate fidelity as high as 0.999 and a greatly reduced gate operation time. We investigate the scheme by considering an actual atomic level configuration with rubidium atoms, where the fidelity of the controlled-Z gate is still higher than 0.99 under the influence of the Zeeman effect.

Dynamical thermalization in isolated quantum dots and black holes

NASA Astrophysics Data System (ADS)

Kolovsky, Andrey R.; Shepelyansky, Dima L.

2017-01-01

We study numerically a model of quantum dot with interacting fermions. At strong interactions with small conductance the model is reduced to the Sachdev-Ye-Kitaev black-hole model while at weak interactions and large conductance it describes a Landau-Fermi liquid in a regime of quantum chaos. We show that above the Åberg threshold for interactions there is an onset of dynamical themalization with the Fermi-Dirac distribution describing the eigenstates of an isolated dot. At strong interactions in the isolated black-hole regime there is also the onset of dynamical thermalization with the entropy described by the quantum Gibbs distribution. This dynamical thermalization takes place in an isolated system without any contact with a thermostat. We discuss the possible realization of these regimes with quantum dots of 2D electrons and cold ions in optical lattices.

Postquench prethermalization in a disordered quantum fluid of light

NASA Astrophysics Data System (ADS)

Larré, Pierre-Élie; Delande, Dominique; Cherroret, Nicolas

2018-04-01

We study the coherence of a disordered and interacting quantum light field after propagation along a nonlinear optical fiber. Disorder is generated by a cross-phase modulation with a randomized auxiliary classical light field, while interactions are induced by self-phase modulation. When penetrating the fiber from free space, the incoming quantum light undergoes a disorder and interaction quench. By calculating the coherence function of the transmitted quantum light, we show that the decoherence induced by the quench spreads in a light-cone fashion in the nonequilibrium many-body quantum system, leaving the latter prethermalize with peculiar features originating from disorder.

Application of path-integral quantization to indistinguishable particle systems topologically confined by a magnetic field

NASA Astrophysics Data System (ADS)

Jacak, Janusz E.

2018-01-01

We demonstrate an original development of path-integral quantization in the case of a multiply connected configuration space of indistinguishable charged particles on a 2D manifold and exposed to a strong perpendicular magnetic field. The system occurs to be exceptionally homotopy-rich and the structure of the homotopy essentially depends on the magnetic field strength resulting in multiloop trajectories at specific conditions. We have proved, by a generalization of the Bohr-Sommerfeld quantization rule, that the size of a magnetic field flux quantum grows for multiloop orbits like (2 k +1 ) h/c with the number of loops k . Utilizing this property for electrons on the 2D substrate jellium, we have derived upon the path integration a complete FQHE hierarchy in excellent consistence with experiments. The path integral has been next developed to a sum over configurations, displaying various patterns of trajectory homotopies (topological configurations), which in the nonstationary case of quantum kinetics, reproduces some unclear formerly details in the longitudinal resistivity observed in experiments.

Feasibility of satellite quantum key distribution

NASA Astrophysics Data System (ADS)

Bonato, C.; Tomaello, A.; Da Deppo, V.; Naletto, G.; Villoresi, P.

2009-04-01

In this paper, we present a novel analysis of the feasibility of quantum key distribution between a LEO satellite and a ground station. First of all, we study signal propagation through a turbulent atmosphere for uplinks and downlinks, discussing the contribution of beam spreading and beam wandering. Then we introduce a model for the background noise of the channel during night-time and day-time, calculating the signal-to-noise ratio for different configurations. We also discuss the expected error-rate due to imperfect polarization compensation in the channel. Finally, we calculate the expected key generation rate of a secure key for different configurations (uplink, downlink) and for different protocols (BB84 with and without decoy states, entanglement-based Ekert91 protocol).

Resource constrained design of artificial neural networks using comparator neural network

NASA Technical Reports Server (NTRS)

Wah, Benjamin W.; Karnik, Tanay S.

1992-01-01

We present a systematic design method executed under resource constraints for automating the design of artificial neural networks using the back error propagation algorithm. Our system aims at finding the best possible configuration for solving the given application with proper tradeoff between the training time and the network complexity. The design of such a system is hampered by three related problems. First, there are infinitely many possible network configurations, each may take an exceedingly long time to train; hence, it is impossible to enumerate and train all of them to completion within fixed time, space, and resource constraints. Second, expert knowledge on predicting good network configurations is heuristic in nature and is application dependent, rendering it difficult to characterize fully in the design process. A learning procedure that refines this knowledge based on examples on training neural networks for various applications is, therefore, essential. Third, the objective of the network to be designed is ill-defined, as it is based on a subjective tradeoff between the training time and the network cost. A design process that proposes alternate configurations under different cost-performance tradeoff is important. We have developed a Design System which schedules the available time, divided into quanta, for testing alternative network configurations. Its goal is to select/generate and test alternative network configurations in each quantum, and find the best network when time is expended. Since time is limited, a dynamic schedule that determines the network configuration to be tested in each quantum is developed. The schedule is based on relative comparison of predicted training times of alternative network configurations using comparator network paradigm. The comparator network has been trained to compare training times for a large variety of traces of TSSE-versus-time collected during back-propagation learning of various applications.

Quantum Interactive Learning Tutorial on the Double-Slit Experiment to Improve Student Understanding of Quantum Mechanics

ERIC Educational Resources Information Center

Sayer, Ryan; Maries, Alexandru; Singh, Chandralekha

2017-01-01

Learning quantum mechanics is challenging, even for upper-level undergraduate and graduate students. Research-validated interactive tutorials that build on students' prior knowledge can be useful tools to enhance student learning. We have been investigating student difficulties with quantum mechanics pertaining to the double-slit experiment in…

Energy levels, lifetimes, and transition rates for the selenium isoelectronic sequence Pd XIII-Te XIX, Xe XXI-Nd XXVII, W XLI

NASA Astrophysics Data System (ADS)

Wang, K.; Yang, X.; Chen, Z. B.; Si, R.; Chen, C. Y.; Yan, J.; Zhao, X. H.; Dang, W.

2017-09-01

Energy levels, wavelengths, lifetimes, oscillator strengths, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among the 46 fine structure levels belonging to the ([ Ar ] 3d10) 4s2 4p4, ([ Ar ] 3d10) 4s2 4p3 4 d, and ([ Ar ] 3d10) 4 s 4p5 configurations for the selenium isoelectronic sequence Pd XIII-Te XIX, Xe XXI-Nd XXVII, W XLI are reported. These data are determined in the multi-configuration Dirac-Fock (MCDF) approach, in which relativistic effects, main electron correlations within the n = 7 complex, Breit interaction (BI), and quantum electrodynamic (QED) corrections are included. The many-body perturbation theory (MBPT) method is also employed as an independent calculation to confirm the present accuracy, taking W XLI as an example. Comparisons and analysis are made between the present results and available experimental and theoretical ones, and good agreements are obtained. These accurate data are expected to be useful in nuclear fusion research and astrophysical applications.

Theoretical Study of the Electronic Spectra of a Polycyclic Aromatic Hydrocarbon, Naphthalene, and its Derivatives

NASA Technical Reports Server (NTRS)

Du, Ping; Salama, Farid; Loew, Gilda H.

1993-01-01

In order to preselect possible candidates for the origin of diffuse interstellar bands observed, semiempirical quantum mechanical method INDO/S was applied to the optical spectra of neutral, cationic, and anionic states of naphthalene and its hydrogen abstraction and addition derivatives. Comparison with experiment shows that the spectra of naphthalene and its ions were reliably predicted. The configuration interaction calculations with single-electron excitations provided reasonable excited state wavefunctions compared to ab initio calculations that included higher excitations. The degree of similarity of the predicted spectra of the hydrogen abstraction and derivatives to those of naphthalene and ions depends largely on the similarity of the it electron configurations. For the hydrogen addition derivatives, very little resemblance of the predicted spectra to naphthalene was found because of the disruption of the aromatic conjugation system. The relevance of these calculations to astrophysical issues is discussed within the context of these polycyclic aromatic hydrocarbon models. Comparing the calculated electronic energies to the Diffuse Interstellar Bands (DIBs), a list of possible candidates of naphthalene derivatives is established which provides selected candidates for a definitive test through laboratory studies.

Theoretical study of the dielectronic recombination process of Li-like Xe51+ ions

NASA Astrophysics Data System (ADS)

Dou, Lijun; Xie, Luyou; Zhang, Denghong; Dong, Chenzhong; Wen, Weiqiang; Huang, Zhongkui; Ma, Xinwen

2017-05-01

The dielectronic recombination of Li-like Xe51+ (2s) ions was studied using the flexible atomic code based on the relativistic configuration interaction method. The resonance energies, radiative and autoionization rates, and resonance strengths were calculated systematically for the doubly excited states (2p1/2nlj)J(n = 18-32) and (2p3/2n'lj)J(n' = 9-27) of Be-like Xe50+ ions. For the higher Rydberg resonance states with n ≥ 33 and n' ≥ 28, the resonance energies and strengths were obtained by extrapolation based on quantum defect theory. The theoretical rate coefficients, covering the center-of-mass energy range 0-505 eV, are in a better agreement with the experimental results measured at the heavy-ion storage ring ESR than the Multi-Configuration Dirac-Fock calculations, especially at the resonance energy range close to the series limits. Contribution to the Topical Issue: "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

A framework for stochastic simulations and visualization of biological electron-transfer dynamics

NASA Astrophysics Data System (ADS)

Nakano, C. Masato; Byun, Hye Suk; Ma, Heng; Wei, Tao; El-Naggar, Mohamed Y.

2015-08-01

Electron transfer (ET) dictates a wide variety of energy-conversion processes in biological systems. Visualizing ET dynamics could provide key insight into understanding and possibly controlling these processes. We present a computational framework named VizBET to visualize biological ET dynamics, using an outer-membrane Mtr-Omc cytochrome complex in Shewanella oneidensis MR-1 as an example. Starting from X-ray crystal structures of the constituent cytochromes, molecular dynamics simulations are combined with homology modeling, protein docking, and binding free energy computations to sample the configuration of the complex as well as the change of the free energy associated with ET. This information, along with quantum-mechanical calculations of the electronic coupling, provides inputs to kinetic Monte Carlo (KMC) simulations of ET dynamics in a network of heme groups within the complex. Visualization of the KMC simulation results has been implemented as a plugin to the Visual Molecular Dynamics (VMD) software. VizBET has been used to reveal the nature of ET dynamics associated with novel nonequilibrium phase transitions in a candidate configuration of the Mtr-Omc complex due to electron-electron interactions.

Real-space imaging of a topologically protected edge state with ultracold atoms in an amplitude-chirped optical lattice

PubMed Central

Leder, Martin; Grossert, Christopher; Sitta, Lukas; Genske, Maximilian; Rosch, Achim; Weitz, Martin

2016-01-01

To describe a mobile defect in polyacetylene chains, Su, Schrieffer and Heeger formulated a model assuming two degenerate energy configurations that are characterized by two different topological phases. An immediate consequence was the emergence of a soliton-type edge state located at the boundary between two regions of different configurations. Besides giving first insights in the electrical properties of polyacetylene materials, interest in this effect also stems from its close connection to states with fractional charge from relativistic field theory. Here, using a one-dimensional optical lattice for cold rubidium atoms with a spatially chirped amplitude, we experimentally realize an interface between two spatial regions of different topological order in an atomic physics system. We directly observe atoms confined in the edge state at the intersection by optical real-space imaging and characterize the state as well as the size of the associated energy gap. Our findings hold prospects for the spectroscopy of surface states in topological matter and for the quantum simulation of interacting Dirac systems. PMID:27767054

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

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

Turi, László, E-mail: turi@chem.elte.hu

2016-04-21

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions withmore » n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.« less

Investigation of the spinfoam path integral with quantum cuboid intertwiners

NASA Astrophysics Data System (ADS)

Bahr, Benjamin; Steinhaus, Sebastian

2016-05-01

In this work, we investigate the 4d path integral for Euclidean quantum gravity on a hypercubic lattice, as given by the spinfoam model by Engle, Pereira, Rovelli, Livine, Freidel and Krasnov. To tackle the problem, we restrict to a set of quantum geometries that reflects the large amount of lattice symmetries. In particular, the sum over intertwiners is restricted to quantum cuboids, i.e. coherent intertwiners which describe a cuboidal geometry in the large-j limit. Using asymptotic expressions for the vertex amplitude, we find several interesting properties of the state sum. First of all, the value of coupling constants in the amplitude functions determines whether geometric or nongeometric configurations dominate the path integral. Secondly, there is a critical value of the coupling constant α , which separates two phases. In both phases, the diffeomorphism symmetry appears to be broken. In one, the dominant contribution comes from highly irregular, in the other from highly regular configurations, both describing flat Euclidean space with small quantum fluctuations around them, viewed in different coordinate systems. On the critical point diffeomorphism symmetry is nearly restored, however. Thirdly, we use the state sum to compute the physical norm of kinematical states, i.e. their norm in the physical Hilbert space. We find that states which describe boundary geometry with high torsion have an exponentially suppressed physical norm. We argue that this allows one to exclude them from the state sum in calculations.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

NASA Astrophysics Data System (ADS)

Turi, László

2016-04-01

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

Quantum logic using correlated one-dimensional quantum walks

NASA Astrophysics Data System (ADS)

Lahini, Yoav; Steinbrecher, Gregory R.; Bookatz, Adam D.; Englund, Dirk

2018-01-01

Quantum Walks are unitary processes describing the evolution of an initially localized wavefunction on a lattice potential. The complexity of the dynamics increases significantly when several indistinguishable quantum walkers propagate on the same lattice simultaneously, as these develop non-trivial spatial correlations that depend on the particle's quantum statistics, mutual interactions, initial positions, and the lattice potential. We show that even in the simplest case of a quantum walk on a one dimensional graph, these correlations can be shaped to yield a complete set of compact quantum logic operations. We provide detailed recipes for implementing quantum logic on one-dimensional quantum walks in two general cases. For non-interacting bosons—such as photons in waveguide lattices—we find high-fidelity probabilistic quantum gates that could be integrated into linear optics quantum computation schemes. For interacting quantum-walkers on a one-dimensional lattice—a situation that has recently been demonstrated using ultra-cold atoms—we find deterministic logic operations that are universal for quantum information processing. The suggested implementation requires minimal resources and a level of control that is within reach using recently demonstrated techniques. Further work is required to address error-correction.

Preservation of a lower bound of quantum secret key rate in the presence of decoherence

NASA Astrophysics Data System (ADS)

Datta, Shounak; Goswami, Suchetana; Pramanik, Tanumoy; Majumdar, A. S.

2017-03-01

It is well known that the interaction of quantum systems with the environment reduces the inherent quantum correlations. Under special circumstances the effect of decoherence can be reversed, for example, the interaction modelled by an amplitude damping channel can boost the teleportation fidelity from the classical to the quantum region for a bipartite quantum state. Here, we first show that this phenomenon fails to preserve the quantum secret key rate derived under individual attack. We further show that the technique of weak measurement can be used to slow down the process of decoherence, thereby helping to preserve the quantum secret key rate when one or both systems are interacting with the environment via an amplitude damping channel. Most interestingly, in certain cases weak measurement with post-selection where one considers both success and failure of the technique is shown to be more useful than without it when both systems interact with the environment.

Quantum dots as contrast agents for endoscopy: mathematical modeling and experimental validation of the optimal excitation wavelength

NASA Astrophysics Data System (ADS)

Roy, Mathieu; DaCosta, Ralph S.; Weersink, Robert; Netchev, George; Davidson, Sean R. H.; Chan, Warren; Wilson, Brian C.

2007-02-01

Our group is investigating the use of ZnS-capped CdSe quantum dot (QD) bioconjugates combined with fluorescence endoscopy for improved early cancer detection in the esophagus, colon and lung. A major challenge in using fluorescent contrast agents in vivo is to extract the relevant signal from the tissue autofluorescence (AF). Our studies are aimed at maximizing the QD signal to AF background ratio (SBR) to facilitate detection. This work quantitatively evaluates the effect of the excitation wavelength on the SBR, using both experimental measurements and mathematical modeling. Experimental SBR measurements were done by imaging QD solutions placed onto (surface) or embedded in (sub-surface) ex vivo murine tissue samples (brain, kidney, liver, lung), using a polymethylmethacrylate (PMMA) microchannel phantom. The results suggest that the maximum contrast is reached when the excitation wavelength is set at 400+/-20 μm for the surface configuration. For the sub-surface configuration, the optimal excitation wavelength varies with the tissue type and QD emission wavelengths. Our mathematical model, based on an approximation to the diffusion equation, successfully predicts the optimal excitation wavelength for the surface configuration, but needs further modifications to be accurate in the sub-surface configuration.

Gain and losses in THz quantum cascade laser with metal-metal waveguide.

PubMed

Martl, Michael; Darmo, Juraj; Deutsch, Christoph; Brandstetter, Martin; Andrews, Aaron Maxwell; Klang, Pavel; Strasser, Gottfried; Unterrainer, Karl

2011-01-17

Coupling of broadband terahertz pulses into metal-metal terahertz quantum cascade lasers is presented. Mode matched terahertz transients are generated on the quantum cascade laser facet of subwavelength dimension. This method provides a full overlap of optical mode and active laser medium. A longitudinal optical-phonon depletion based active region design is investigated in a coupled cavity configuration. Modulation experiments reveal spectral gain and (broadband) losses. The observed gain shows high dynamic behavior when switching from loss to gain around threshold and is clamped at total laser losses.

Discord as a quantum resource for bi-partite communication

NASA Astrophysics Data System (ADS)

Chrzanowski, Helen M.; Gu, Mile; Assad, Syed M.; Symul, Thomas; Modi, Kavan; Ralph, Timothy C.; Vedral, Vlatko; Lam, Ping Koy

2014-12-01

Coherent interactions that generate negligible entanglement can still exhibit unique quantum behaviour. This observation has motivated a search beyond entanglement for a complete description of all quantum correlations. Quantum discord is a promising candidate. Here, we experimentally demonstrate that under certain measurement constraints, discord between bipartite systems can be consumed to encode information that can only be accessed by coherent quantum interactions. The inability to access this information by any other means allows us to use discord to directly quantify this `quantum advantage'.

Circuit quantum electrodynamics with a spin qubit.

PubMed

Petersson, K D; McFaul, L W; Schroer, M D; Jung, M; Taylor, J M; Houck, A A; Petta, J R

2012-10-18

Electron spins trapped in quantum dots have been proposed as basic building blocks of a future quantum processor. Although fast, 180-picosecond, two-quantum-bit (two-qubit) operations can be realized using nearest-neighbour exchange coupling, a scalable, spin-based quantum computing architecture will almost certainly require long-range qubit interactions. Circuit quantum electrodynamics (cQED) allows spatially separated superconducting qubits to interact via a superconducting microwave cavity that acts as a 'quantum bus', making possible two-qubit entanglement and the implementation of simple quantum algorithms. Here we combine the cQED architecture with spin qubits by coupling an indium arsenide nanowire double quantum dot to a superconducting cavity. The architecture allows us to achieve a charge-cavity coupling rate of about 30 megahertz, consistent with coupling rates obtained in gallium arsenide quantum dots. Furthermore, the strong spin-orbit interaction of indium arsenide allows us to drive spin rotations electrically with a local gate electrode, and the charge-cavity interaction provides a measurement of the resulting spin dynamics. Our results demonstrate how the cQED architecture can be used as a sensitive probe of single-spin physics and that a spin-cavity coupling rate of about one megahertz is feasible, presenting the possibility of long-range spin coupling via superconducting microwave cavities.

Control of electromagnetically induced transparency via a hybrid semiconductor quantum dot-vanadium dioxide nanoparticle system

NASA Astrophysics Data System (ADS)

Zamani, Naser; Hatef, Ali; Nadgaran, Hamid; Keshavarz, Alireza

2017-07-01

We numerically investigate the electromagnetically induced transparency (EIT) of a hybrid system consisting of a three-level quantum dot (QD) in the vicinity of vanadium dioxide nanoparticle (VO2NP). VO2NP has semiconductor and metallic phases where the transition between the two phases occurs around a critical temperature. When the QD-VO2NP hybrid system interacts with continuous wave laser fields in an infrared regime, it supports a coherent coupling of exciton-polariton and exciton-plasmon polariton in semiconductor and metal phases of VO2NP, respectively. In our calculations a filling fraction factor controls the VO2NP phase transition. A probe and control laser field configuration is studied for the hybrid system to measure the absorption of QD through the filling fraction factor manipulations. We show that for the VO2NP semiconductor phase and proper geometrical configuration, the absorption spectrum profile of the QD represents an EIT with two peaks and a clear minimum. These two peaks merge to one through the VO2NP phase transition to metal. We also show that the absorption spectrum profile is modified by different orientations of the laser fields with the axis of the QD-VO2NP hybrid system. The innovation in comparison to other research in the field is that robust variation in the absorption profile through EIT is due to the phase transition in VO2NP without any structural change in the QD-VO2NP hybrid system. Our results can be employed to design nanothermal sensors, optical nanoswitches, and energy transfer devices.

Alloy Design Workbench-Surface Modeling Package Developed

NASA Technical Reports Server (NTRS)

Abel, Phillip B.; Noebe, Ronald D.; Bozzolo, Guillermo H.; Good, Brian S.; Daugherty, Elaine S.

2003-01-01

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Discrimination of correlated and entangling quantum channels with selective process tomography

DOE PAGES

Dumitrescu, Eugene; Humble, Travis S.

2016-10-10

The accurate and reliable characterization of quantum dynamical processes underlies efforts to validate quantum technologies, where discrimination between competing models of observed behaviors inform efforts to fabricate and operate qubit devices. We present a protocol for quantum channel discrimination that leverages advances in direct characterization of quantum dynamics (DCQD) codes. We demonstrate that DCQD codes enable selective process tomography to improve discrimination between entangling and correlated quantum dynamics. Numerical simulations show selective process tomography requires only a few measurement configurations to achieve a low false alarm rate and that the DCQD encoding improves the resilience of the protocol to hiddenmore » sources of noise. Lastly, our results show that selective process tomography with DCQD codes is useful for efficiently distinguishing sources of correlated crosstalk from uncorrelated noise in current and future experimental platforms.« less

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure.

PubMed

Zaboli, Maryam; Raissi, Heidar

2018-01-05

In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇ 2 ρ (r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2ns. Copyright © 2017 Elsevier B.V. All rights reserved.

Global-to-local incompatibility, monogamy of entanglement, and ground-state dimerization: Theory and observability of quantum frustration in systems with competing interactions

NASA Astrophysics Data System (ADS)

Giampaolo, S. M.; Hiesmayr, B. C.; Illuminati, F.

2015-10-01

Frustration in quantum many-body systems is quantified by the degree of incompatibility between the local and global orders associated, respectively, with the ground states of the local interaction terms and the global ground state of the total many-body Hamiltonian. This universal measure is bounded from below by the ground-state bipartite block entanglement. For many-body Hamiltonians that are sums of two-body interaction terms, a further inequality relates quantum frustration to the pairwise entanglement between the constituents of the local interaction terms. This additional bound is a consequence of the limits imposed by monogamy on entanglement shareability. We investigate the behavior of local pair frustration in quantum spin models with competing interactions on different length scales and show that valence bond solids associated with exact ground state dimerization correspond to a transition from generic frustration, i.e., geometric, common to classical and quantum systems alike, to genuine quantum frustration, i.e., solely due to the noncommutativity of the different local interaction terms. We discuss how such frustration transitions separating genuinely quantum orders from classical-like ones are detected by observable quantities such as the static structure factor and the interferometric visibility.

Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au.

PubMed

Kumagai, Takashi; Ladenthin, Janina N; Litman, Yair; Rossi, Mariana; Grill, Leonhard; Gawinkowski, Sylwester; Waluk, Jacek; Persson, Mats

2018-03-14

Tautomerization in single porphycene molecules is investigated on Cu(111), Ag(111), and Au(111) surfaces by a combination of low-temperature scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. It is revealed that the trans configuration is the thermodynamically stable form of porphycene on Cu(111) and Ag(111), whereas the cis configuration occurs as a meta-stable form. The trans → cis or cis → trans conversion on Cu(111) can be induced in an unidirectional fashion by injecting tunneling electrons from the STM tip or heating the surface, respectively. We find that the cis ↔ cis tautomerization on Cu(111) occurs spontaneously via tunneling, verified by the negligible temperature dependence of the tautomerization rate below ∼23 K. Van der Waals corrected DFT calculations are used to characterize the adsorption structures of porphycene and to map the potential energy surface of the tautomerization on Cu(111). The calculated barriers are too high to be thermally overcome at cryogenic temperatures used in the experiment and zero-point energy corrections do not change this picture, leaving tunneling as the most likely mechanism. On Ag(111), the reversible trans ↔ cis conversion occurs spontaneously at 5 K and the cis ↔ cis tautomerization rate is much higher than on Cu(111), indicating a significantly smaller tautomerization barrier on Ag(111) due to the weaker interaction between porphycene and the surface compared to Cu(111). Additionally, the STM experiments and DFT calculations reveal that tautomerization on Cu(111) and Ag(111) occurs with migration of porphycene along the surface; thus, the translational motion couples with the tautomerization coordinate. On the other hand, the trans and cis configurations are not discernible in the STM image and no tautomerization is observed for porphycene on Au(111). The weak interaction of porphycene with Au(111) is closest to the gas-phase limit and therefore the absence of trans and cis configurations in the STM images is explained either by the rapid tautomerization rate or the similar character of the molecular frontier orbitals of the trans and cis configurations.

Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au

NASA Astrophysics Data System (ADS)

Kumagai, Takashi; Ladenthin, Janina N.; Litman, Yair; Rossi, Mariana; Grill, Leonhard; Gawinkowski, Sylwester; Waluk, Jacek; Persson, Mats

2018-03-01

Tautomerization in single porphycene molecules is investigated on Cu(111), Ag(111), and Au(111) surfaces by a combination of low-temperature scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. It is revealed that the trans configuration is the thermodynamically stable form of porphycene on Cu(111) and Ag(111), whereas the cis configuration occurs as a meta-stable form. The trans → cis or cis → trans conversion on Cu(111) can be induced in an unidirectional fashion by injecting tunneling electrons from the STM tip or heating the surface, respectively. We find that the cis ↔ cis tautomerization on Cu(111) occurs spontaneously via tunneling, verified by the negligible temperature dependence of the tautomerization rate below ˜23 K. Van der Waals corrected DFT calculations are used to characterize the adsorption structures of porphycene and to map the potential energy surface of the tautomerization on Cu(111). The calculated barriers are too high to be thermally overcome at cryogenic temperatures used in the experiment and zero-point energy corrections do not change this picture, leaving tunneling as the most likely mechanism. On Ag(111), the reversible trans ↔ cis conversion occurs spontaneously at 5 K and the cis ↔ cis tautomerization rate is much higher than on Cu(111), indicating a significantly smaller tautomerization barrier on Ag(111) due to the weaker interaction between porphycene and the surface compared to Cu(111). Additionally, the STM experiments and DFT calculations reveal that tautomerization on Cu(111) and Ag(111) occurs with migration of porphycene along the surface; thus, the translational motion couples with the tautomerization coordinate. On the other hand, the trans and cis configurations are not discernible in the STM image and no tautomerization is observed for porphycene on Au(111). The weak interaction of porphycene with Au(111) is closest to the gas-phase limit and therefore the absence of trans and cis configurations in the STM images is explained either by the rapid tautomerization rate or the similar character of the molecular frontier orbitals of the trans and cis configurations.

Universal Quantum Computing with Arbitrary Continuous-Variable Encoding.

PubMed

Lau, Hoi-Kwan; Plenio, Martin B

2016-09-02

Implementing a qubit quantum computer in continuous-variable systems conventionally requires the engineering of specific interactions according to the encoding basis states. In this work, we present a unified formalism to conduct universal quantum computation with a fixed set of operations but arbitrary encoding. By storing a qubit in the parity of two or four qumodes, all computing processes can be implemented by basis state preparations, continuous-variable exponential-swap operations, and swap tests. Our formalism inherits the advantages that the quantum information is decoupled from collective noise, and logical qubits with different encodings can be brought to interact without decoding. We also propose a possible implementation of the required operations by using interactions that are available in a variety of continuous-variable systems. Our work separates the "hardware" problem of engineering quantum-computing-universal interactions, from the "software" problem of designing encodings for specific purposes. The development of quantum computer architecture could hence be simplified.

Universal Quantum Computing with Arbitrary Continuous-Variable Encoding

NASA Astrophysics Data System (ADS)

Lau, Hoi-Kwan; Plenio, Martin B.

2016-09-01

Implementing a qubit quantum computer in continuous-variable systems conventionally requires the engineering of specific interactions according to the encoding basis states. In this work, we present a unified formalism to conduct universal quantum computation with a fixed set of operations but arbitrary encoding. By storing a qubit in the parity of two or four qumodes, all computing processes can be implemented by basis state preparations, continuous-variable exponential-swap operations, and swap tests. Our formalism inherits the advantages that the quantum information is decoupled from collective noise, and logical qubits with different encodings can be brought to interact without decoding. We also propose a possible implementation of the required operations by using interactions that are available in a variety of continuous-variable systems. Our work separates the "hardware" problem of engineering quantum-computing-universal interactions, from the "software" problem of designing encodings for specific purposes. The development of quantum computer architecture could hence be simplified.

Hybrid quantum computing with ancillas

NASA Astrophysics Data System (ADS)

Proctor, Timothy J.; Kendon, Viv

2016-10-01

In the quest to build a practical quantum computer, it is important to use efficient schemes for enacting the elementary quantum operations from which quantum computer programs are constructed. The opposing requirements of well-protected quantum data and fast quantum operations must be balanced to maintain the integrity of the quantum information throughout the computation. One important approach to quantum operations is to use an extra quantum system - an ancilla - to interact with the quantum data register. Ancillas can mediate interactions between separated quantum registers, and by using fresh ancillas for each quantum operation, data integrity can be preserved for longer. This review provides an overview of the basic concepts of the gate model quantum computer architecture, including the different possible forms of information encodings - from base two up to continuous variables - and a more detailed description of how the main types of ancilla-mediated quantum operations provide efficient quantum gates.

Renyi entanglement entropy of interacting fermions calculated using the continuous-time quantum Monte Carlo method.

PubMed

Wang, Lei; Troyer, Matthias

2014-09-12

We present a new algorithm for calculating the Renyi entanglement entropy of interacting fermions using the continuous-time quantum Monte Carlo method. The algorithm only samples the interaction correction of the entanglement entropy, which by design ensures the efficient calculation of weakly interacting systems. Combined with Monte Carlo reweighting, the algorithm also performs well for systems with strong interactions. We demonstrate the potential of this method by studying the quantum entanglement signatures of the charge-density-wave transition of interacting fermions on a square lattice.

Quantum noise in bright soliton matterwave interferometry

NASA Astrophysics Data System (ADS)

Haine, Simon A.

2018-03-01

There has been considerable recent interest in matterwave interferometry with bright solitons in quantum gases with attractive interactions, for applications such as rotation sensing. We model the quantum dynamics of these systems and find that the attractive interactions required for the presence of bright solitons causes quantum phase-diffusion, which severely impairs the sensitivity. We propose a scheme that partially restores the sensitivity, but find that in the case of rotation sensing, it is still better to work in a regime with minimal interactions if possible.

Interactions between N-acetyl-L-cysteine protected CdTe quantum dots and doxorubicin through spectroscopic method

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

Yang, Xiupei, E-mail: xiupeiyang@163.com; College of Chemistry and Chemical Engineering, China West Normal University, Nanchong 637000; Lin, Jia

2015-06-15

Highlights: • CdTe quantum dots with the diameter of 3–5 nm were synthesized in aqueous solution. • The modified CdTe quantum dots showed well fluorescence properties. • The interaction between the CdTe quantum dots and doxorubicin (DR) was investigated. - Abstract: N-acetyl-L-cysteine protected cadmium telluride quantum dots with a diameter of 3–5 nm were synthesized in aqueous solution. The interaction between N-acetyl-L-cysteine/cadmium telluride quantum dots and doxorubicin was investigated by ultraviolet–visible absorption and fluorescence spectroscopy at physiological conditions (pH 7.2, 37 °C). The results indicate that electron transfer has occurred between N-acetyl-L-cysteine/cadmium telluride quantum dots and doxorubicin under light illumination.more » The quantum dots react readily with doxorubicin to form a N-acetyl-L-cysteine/cadmium telluride-quantum dots/doxorubicin complex via electrostatic attraction between the −NH{sub 3}{sup +} moiety of doxorubicin and the −COO{sup −} moiety of N-acetyl-L-cysteine/cadmium telluride quantum dots. The interaction of N-acetyl-L-cysteine/cadmium telluride-quantum dots/doxorubicin complex with bovine serum albumin was studied as well, showing that the complex might induce the conformation change of bovine serum due to changes in microenvironment of bovine serum.« less

Magnetism in S = 1 / 2 Double Perovskites with Strong Spin-Orbit Interactions

NASA Astrophysics Data System (ADS)

Ishizuka, Hiroaki; Balents, Leon

2015-03-01

Motivated by recent studies on heavy-element double-perovskite (DP) compounds, we theoretically studied spin models on a FCC lattice with anisotropic interactions. In these systems, competition/cooperation of spin, orbital, and the lattice degrees of freedoms in the presence of the strong-spin orbit coupling is of particular interest. In a previous theoretical study, the magnetic phase diagrams of DP compounds with 5d1 electron configuration was studied using a model with four-fold degenerated single-ion state. On the other hand, a recent experiment on a DP material, Ba2Na2OsO6, reported that the compound is likely to be an effective S = 1 / 2 magnet. Inspired by the experimental observation, we considered spin models with symmetry-allowed anisotropic nearest-neighbor interactions. By a combination of various analytical and numerical techniques, we present the magnetic phase diagram of the model and the effect of thermal and quantum fluctuations. In particular, we show that fluctuations induce < 110 > anisotropy of magnetic moments. We also discuss a possible ``nematic'' phase driven by spin-phonon couplings.

Detecting gravitational decoherence with clocks: Limits on temporal resolution from a classical-channel model of gravity

NASA Astrophysics Data System (ADS)

Khosla, Kiran E.; Altamirano, Natacha

2017-05-01

The notion of time is given a different footing in quantum mechanics and general relativity, treated as a parameter in the former and being an observer-dependent property in the latter. From an operational point of view time is simply the correlation between a system and a clock, where an idealized clock can be modeled as a two-level system. We investigate the dynamics of clocks interacting gravitationally by treating the gravitational interaction as a classical information channel. This model, known as the classical-channel gravity (CCG), postulates that gravity is mediated by a fundamentally classical force carrier and is therefore unable to entangle particles gravitationally. In particular, we focus on the decoherence rates and temporal resolution of arrays of N clocks, showing how the minimum dephasing rate scales with N , and the spatial configuration. Furthermore, we consider the gravitational redshift between a clock and a massive particle and show that a classical-channel model of gravity predicts a finite-dephasing rate from the nonlocal interaction. In our model we obtain a fundamental limitation in time accuracy that is intrinsic to each clock.

Thermoelectric unipolar spin battery in a suspended carbon nanotube.

PubMed

Cao, Zhan; Fang, Tie-Feng; He, Wan-Xiu; Luo, Hong-Gang

2017-04-26

A quantum dot formed in a suspended carbon nanotube exposed to an external magnetic field is predicted to act as a thermoelectric unipolar spin battery which generates pure spin current. The built-in spin flip mechanism is a consequence of the spin-vibration interaction resulting from the interplay between the intrinsic spin-orbit coupling and the vibrational modes of the suspended carbon nanotube. On the other hand, utilizing thermoelectric effect, the temperature difference between the electron and the thermal bath to which the vibrational modes are coupled provides the driving force. We find that both magnitude and direction of the generated pure spin current are dependent on the strength of spin-vibration interaction, the sublevel configuration in dot, the temperatures of electron and thermal bath, and the tunneling rate between the dot and the pole. Moreover, in the linear response regime, the kinetic coefficient is non-monotonic in the temperature T and it reaches its maximum when [Formula: see text] is about one phonon energy. The existence of a strong intradot Coulomb interaction is irrelevant for our spin battery, provided that high-order cotunneling processes are suppressed.

Classical and quantum entropy of parton distributions

NASA Astrophysics Data System (ADS)

Hagiwara, Yoshikazu; Hatta, Yoshitaka; Xiao, Bo-Wen; Yuan, Feng

2018-05-01

We introduce the semiclassical Wehrl entropy for the nucleon as a measure of complexity of the multiparton configuration in phase space. This gives a new perspective on the nucleon tomography. We evaluate the entropy in the small-x region and compare with the quantum von Neumann entropy. We also argue that the growth of entropy at small x is eventually slowed down due to the Pomeron loop effect.

A semi-inverse variational method for generating the bound state energy eigenvalues in a quantum system: the Dirac Coulomb type-equation

NASA Astrophysics Data System (ADS)

Libarir, K.; Zerarka, A.

2018-05-01

Exact eigenspectra and eigenfunctions of the Dirac quantum equation are established using the semi-inverse variational method. This method improves of a considerable manner the efficiency and accuracy of results compared with the other usual methods much argued in the literature. Some applications for different state configurations are proposed to concretize the method.

Faithful conditional quantum state transfer between weakly coupled qubits

NASA Astrophysics Data System (ADS)

Miková, M.; Straka, I.; Mičuda, M.; Krčmarský, V.; Dušek, M.; Ježek, M.; Fiurášek, J.; Filip, R.

2016-08-01

One of the strengths of quantum information theory is that it can treat quantum states without referring to their particular physical representation. In principle, quantum states can be therefore fully swapped between various quantum systems by their mutual interaction and this quantum state transfer is crucial for many quantum communication and information processing tasks. In practice, however, the achievable interaction time and strength are often limited by decoherence. Here we propose and experimentally demonstrate a procedure for faithful quantum state transfer between two weakly interacting qubits. Our scheme enables a probabilistic yet perfect unidirectional transfer of an arbitrary unknown state of a source qubit onto a target qubit prepared initially in a known state. The transfer is achieved by a combination of a suitable measurement of the source qubit and quantum filtering on the target qubit depending on the outcome of measurement on the source qubit. We experimentally verify feasibility and robustness of the transfer using a linear optical setup with qubits encoded into polarization states of single photons.

Ab initio characterization of electron transfer coupling in photoinduced systems: generalized Mulliken-Hush with configuration-interaction singles.

PubMed

Chen, Hung-Cheng; Hsu, Chao-Ping

2005-12-29

To calculate electronic couplings for photoinduced electron transfer (ET) reactions, we propose and test the use of ab initio quantum chemistry calculation for excited states with the generalized Mulliken-Hush (GMH) method. Configuration-interaction singles (CIS) is proposed to model the locally excited (LE) and charge-transfer (CT) states. When the CT state couples with other high lying LE states, affecting coupling values, the image charge approximation (ICA), as a simple solvent model, can lower the energy of the CT state and decouple the undesired high-lying local excitations. We found that coupling strength is weakly dependent on many details of the solvent model, indicating the validity of the Condon approximation. Therefore, a trustworthy value can be obtained via this CIS-GMH scheme, with ICA used as a tool to improve and monitor the quality of the results. Systems we tested included a series of rigid, sigma-linked donor-bridge-acceptor compounds where "through-bond" coupling has been previously investigated, and a pair of molecules where "through-space" coupling was experimentally demonstrated. The calculated results agree well with experimentally inferred values in the coupling magnitudes (for both systems studied) and in the exponential distance dependence (for the through-bond series). Our results indicate that this new scheme can properly account for ET coupling arising from both through-bond and through-space mechanisms.

Casimir forces between defects in one-dimensional quantum liquids

NASA Astrophysics Data System (ADS)

Recati, A.; Fuchs, J. N.; Peça, C. S.; Zwerger, W.

2005-08-01

We discuss the effective interactions between two localized perturbations in one-dimensional quantum liquids. For noninteracting fermions, the interactions exhibit Friedel oscillations, giving rise to a Ruderman-Kittel-Kasuya-Yosida-type interaction familiar from impurity spins in metals. In the interacting case, at low energies, a Luttinger-liquid description applies. In the case of repulsive fermions, the Friedel oscillations of the interacting system are replaced, at long distances, by a universal Casimir-type interaction which depends only on the sound velocity and decays inversely with the separation. The Casimir-type interaction between localized perturbations embedded in a fermionic environment gives rise to a long-range coupling between quantum dots in ultracold Fermi gases, opening an alternative to couple qubits with neutral atoms. We also briefly discuss the case of bosonic quantum liquids in which the interaction between weak impurities turns out to be short ranged, decaying exponentially on the scale of the healing length.

Quantum-memory-assisted entropic uncertainty in spin models with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Huang, Zhiming

2018-02-01

In this article, we investigate the dynamics and correlations of quantum-memory-assisted entropic uncertainty, the tightness of the uncertainty, entanglement, quantum correlation and mixedness for various spin chain models with Dzyaloshinskii-Moriya (DM) interaction, including the XXZ model with DM interaction, the XY model with DM interaction and the Ising model with DM interaction. We find that the uncertainty grows to a stable value with growing temperature but reduces as the coupling coefficient, anisotropy parameter and DM values increase. It is found that the entropic uncertainty is closely correlated with the mixedness of the system. The increasing quantum correlation can result in a decrease in the uncertainty, and the robustness of quantum correlation is better than entanglement since entanglement means sudden birth and death. The tightness of the uncertainty drops to zero, apart from slight volatility as various parameters increase. Furthermore, we propose an effective approach to steering the uncertainty by weak measurement reversal.

Parametric interactions in presence of different size colloids in semiconductor quantum plasmas

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

Vanshpal, R., E-mail: ravivanshpal@gmail.com; Sharma, Uttam; Dubey, Swati

2015-07-31

Present work is an attempt to investigate the effect of different size colloids on parametric interaction in semiconductor quantum plasma. Inclusion of quantum effect is being done in this analysis through quantum correction term in classical hydrodynamic model of homogeneous semiconductor plasma. The effect is associated with purely quantum origin using quantum Bohm potential and quantum statistics. Colloidal size and quantum correction term modify the parametric dispersion characteristics of ion implanted semiconductor plasma medium. It is found that quantum effect on colloids is inversely proportional to their size. Moreover critical size of implanted colloids for the effective quantum correction ismore » determined which is found to be equal to the lattice spacing of the crystal.« less

Fano Effect and Quantum Entanglement in Hybrid Semiconductor Quantum Dot-Metal Nanoparticle System.

PubMed

He, Yong; Zhu, Ka-Di

2017-06-20

In this paper, we review the investigation for the light-matter interaction between surface plasmon field in metal nanoparticle (MNP) and the excitons in semiconductor quantum dots (SQDs) in hybrid SQD-MNP system under the full quantum description. The exciton-plasmon interaction gives rise to the modified decay rate and the exciton energy shift which are related to the exciton energy by using a quantum transformation method. We illustrate the responses of the hybrid SQD-MNP system to external field, and reveal Fano effect shown in the absorption spectrum. We demonstrate quantum entanglement between two SQD mediated by surface plasmon field. In the absence of a laser field, concurrence of quantum entanglement will disappear after a few ns. If the laser field is present, the steady states appear, so that quantum entanglement produced will reach a steady-state entanglement. Because one of all optical pathways to induce Fano effect refers to the generation of quantum entangled states, It is shown that the concurrence of quantum entanglement can be obtained by observation for Fano effect. In a hybrid system including two MNP and a SQD, because the two Fano quantum interference processes share a segment of all optical pathways, there is correlation between the Fano effects of the two MNP. The investigations for the light-matter interaction in hybrid SQD-MNP system can pave the way for the development of the optical processing devices and quantum information based on the exciton-plasmon interaction.

Fano Effect and Quantum Entanglement in Hybrid Semiconductor Quantum Dot-Metal Nanoparticle System

PubMed Central

He, Yong; Zhu, Ka-Di

2017-01-01

In this paper, we review the investigation for the light-matter interaction between surface plasmon field in metal nanoparticle (MNP) and the excitons in semiconductor quantum dots (SQDs) in hybrid SQD-MNP system under the full quantum description. The exciton-plasmon interaction gives rise to the modified decay rate and the exciton energy shift which are related to the exciton energy by using a quantum transformation method. We illustrate the responses of the hybrid SQD-MNP system to external field, and reveal Fano effect shown in the absorption spectrum. We demonstrate quantum entanglement between two SQD mediated by surface plasmon field. In the absence of a laser field, concurrence of quantum entanglement will disappear after a few ns. If the laser field is present, the steady states appear, so that quantum entanglement produced will reach a steady-state entanglement. Because one of all optical pathways to induce Fano effect refers to the generation of quantum entangled states, It is shown that the concurrence of quantum entanglement can be obtained by observation for Fano effect. In a hybrid system including two MNP and a SQD, because the two Fano quantum interference processes share a segment of all optical pathways, there is correlation between the Fano effects of the two MNP. The investigations for the light-matter interaction in hybrid SQD-MNP system can pave the way for the development of the optical processing devices and quantum information based on the exciton-plasmon interaction. PMID:28632165

A quantum description of linear, and non-linear optical interactions in arrays of plasmonic nanoparticles

NASA Astrophysics Data System (ADS)

Arabahmadi, Ehsan; Ahmadi, Zabihollah; Rashidian, Bizhan

2018-06-01

A quantum theory for describing the interaction of photons and plasmons, in one- and two-dimensional arrays is presented. Ohmic losses and inter-band transitions are not considered. We use macroscopic approach, and quantum field theory methods including S-matrix expansion, and Feynman diagrams for this purpose. Non-linear interactions are also studied, and increasing the probability of such interactions, and its application are also discussed.

Excited states from quantum Monte Carlo in the basis of Slater determinants

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

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

2014-11-21

Building on the full configuration interaction quantum Monte Carlo (FCIQMC) algorithm introduced recently by Booth et al. [J. Chem. Phys. 131, 054106 (2009)] to compute the ground state of correlated many-electron systems, an extension to the computation of excited states (exFCIQMC) is presented. The Hilbert space is divided into a large part consisting of pure Slater determinants and a much smaller orthogonal part (the size of which is controlled by a cut-off threshold), from which the lowest eigenstates can be removed efficiently. In this way, the quantum Monte Carlo algorithm is restricted to the orthogonal complement of the lower excitedmore » states and projects out the next highest excited state. Starting from the ground state, higher excited states can be found one after the other. The Schrödinger equation in imaginary time is solved by the same population dynamics as in the ground state algorithm with modified probabilities and matrix elements, for which working formulae are provided. As a proof of principle, the method is applied to lithium hydride in the 3-21G basis set and to the helium dimer in the aug-cc-pVDZ basis set. It is shown to give the correct electronic structure for all bond lengths. Much more testing will be required before the applicability of this method to electron correlation problems of interesting size can be assessed.« less

Structural and Galvanomagnetic properties in Mn-Bi2Te3 thin films

NASA Astrophysics Data System (ADS)

Bidinakis, K.; Speliotis, Th.

2017-12-01

Bismuth-based binary chalcogenide compounds such as Bi2Te3 and Bi2Se3 are well known materials for their excellent thermoelectric properties due to their near-gap electronic structure. In the last few years these materials have received attention for exhibiting new physics of 3D topological insulators (TI). Possible applications of TI based devices range from quantum computing, spin based logic and memory to electrodynamics. The 3D TIs present spin-momentum-locked surface states by time reversal symmetry (TRS). Introducing magnetic doping in a TI, brakes the TRS and is predicted to open the gap at Dirac point, resulting in exotic quantum phenomena. This interaction between magnetism and topologically protected states is of potential attention for applications in modern spintronics. Quantum phenomena such as weak antilocalization observed in these nanostructures are described. In this work, granular Mn-Bi2Te3 thin films were grown by DC magnetron sputtering on Si(111) substrates and were submitted to ex situ annealing. We present results for the crystal structure of sputtered and annealed films characterized with X-ray diffraction and high-resolution scanning electron microscopy (HRSEM). The surface analysis was studied with atomic force microscopy (AFM). Magnetotransport measurements were performed using standard four probe technique with Hall and MR configurations, with perpendicular magnetic fields up to 9T and temperatures from 300 to 3K.

Real-space finite-difference approach for multi-body systems: path-integral renormalization group method and direct energy minimization method.

PubMed

Sasaki, Akira; Kojo, Masashi; Hirose, Kikuji; Goto, Hidekazu

2011-11-02

The path-integral renormalization group and direct energy minimization method of practical first-principles electronic structure calculations for multi-body systems within the framework of the real-space finite-difference scheme are introduced. These two methods can handle higher dimensional systems with consideration of the correlation effect. Furthermore, they can be easily extended to the multicomponent quantum systems which contain more than two kinds of quantum particles. The key to the present methods is employing linear combinations of nonorthogonal Slater determinants (SDs) as multi-body wavefunctions. As one of the noticeable results, the same accuracy as the variational Monte Carlo method is achieved with a few SDs. This enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation. Recent activities on methodological developments aiming towards practical calculations such as the implementation of auxiliary field for Coulombic interaction, the treatment of the kinetic operator in imaginary-time evolutions, the time-saving double-grid technique for bare-Coulomb atomic potentials and the optimization scheme for minimizing the total-energy functional are also introduced. As test examples, the total energy of the hydrogen molecule, the atomic configuration of the methylene and the electronic structures of two-dimensional quantum dots are calculated, and the accuracy, availability and possibility of the present methods are demonstrated.

Stabilization of the electron-nuclear spin orientation in quantum dots by the nuclear quadrupole interaction.

PubMed

Dzhioev, R I; Korenev, V L

2007-07-20

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Stabilization of the Electron-Nuclear Spin Orientation in Quantum Dots by the Nuclear Quadrupole Interaction

NASA Astrophysics Data System (ADS)

Dzhioev, R. I.; Korenev, V. L.

2007-07-01

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Implementing universal nonadiabatic holonomic quantum gates with transmons

NASA Astrophysics Data System (ADS)

Hong, Zhuo-Ping; Liu, Bao-Jie; Cai, Jia-Qi; Zhang, Xin-Ding; Hu, Yong; Wang, Z. D.; Xue, Zheng-Yuan

2018-02-01

Geometric phases are well known to be noise resilient in quantum evolutions and operations. Holonomic quantum gates provide us with a robust way towards universal quantum computation, as these quantum gates are actually induced by non-Abelian geometric phases. Here we propose and elaborate how to efficiently implement universal nonadiabatic holonomic quantum gates on simpler superconducting circuits, with a single transmon serving as a qubit. In our proposal, an arbitrary single-qubit holonomic gate can be realized in a single-loop scenario by varying the amplitudes and phase difference of two microwave fields resonantly coupled to a transmon, while nontrivial two-qubit holonomic gates may be generated with a transmission-line resonator being simultaneously coupled to the two target transmons in an effective resonant way. Moreover, our scenario may readily be scaled up to a two-dimensional lattice configuration, which is able to support large scalable quantum computation, paving the way for practically implementing universal nonadiabatic holonomic quantum computation with superconducting circuits.

Decoherence Effect on Quantum Correlation and Entanglement in a Two-qubit Spin Chain

NASA Astrophysics Data System (ADS)

Pourkarimi, Mohammad Reza; Rahnama, Majid; Rooholamini, Hossein

2015-04-01

Assuming a two-qubit system in Werner state which evolves in Heisenberg XY model with Dzyaloshinskii-Moriya (DM) interaction under the effect of different environments. We evaluate and compare quantum entanglement, quantum and classical correlation measures. It is shown that in the absence of decoherence effects, there is a critical value of DM interaction for which entanglement may vanish while quantum and classical correlations do not. In the presence of environment the behavior of correlations depends on the kind of system-environment interaction. Correlations can be sustained by manipulating Hamiltonian anisotropic-parameter in a dissipative environment. Quantum and classical correlations are more stable than entanglement generally.

Adiabatic quantum simulation of quantum chemistry.

PubMed

Babbush, Ryan; Love, Peter J; Aspuru-Guzik, Alán

2014-10-13

We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.

Measurement of a heavy-hole hyperfine interaction in InGaAs quantum dots using resonance fluorescence.

PubMed

Fallahi, P; Yilmaz, S T; Imamoğlu, A

2010-12-17

We measure the strength and the sign of hyperfine interaction of a heavy hole with nuclear spins in single self-assembled quantum dots. Our experiments utilize the locking of a quantum dot resonance to an incident laser frequency to generate nuclear spin polarization. By monitoring the resulting Overhauser shift of optical transitions that are split either by electron or exciton Zeeman energy with respect to the locked transition using resonance fluorescence, we find that the ratio of the heavy-hole and electron hyperfine interactions is -0.09 ± 0.02 in three quantum dots. Since hyperfine interactions constitute the principal decoherence source for spin qubits, we expect our results to be important for efforts aimed at using heavy-hole spins in quantum information processing.

Solving the Nonlocality Riddle by Conformal Quantum Geometrodynamics

NASA Astrophysics Data System (ADS)

Santamato, Enrico; de Martini, Francesco

2012-01-01

Since the 1935 proposal by Einstein, Podolsky and Rosen the riddle of nonlocality, today demonstrated by the violation of Bell's inequalities within innumerable experiments, has been a cause of concern and confusion within the debate over the foundations of quantum mechanics. The present paper tackles the problem by a nonrelativistic approach based on conformal differential geometry applied to the solution of the dynamical problem of two entangled spin 1/2 particles. It is found that the quantum nonlocality may be understood on the basis of a conformal quantum geometrodynamics acting necessarily on the full "configuration space" of the entangled particles. At the end, the violation of the Bell inequalities is demonstrated without making recourse to the common nonlocality paradigm.

Deterministic quantum annealing expectation-maximization algorithm

NASA Astrophysics Data System (ADS)

Miyahara, Hideyuki; Tsumura, Koji; Sughiyama, Yuki

2017-11-01

Maximum likelihood estimation (MLE) is one of the most important methods in machine learning, and the expectation-maximization (EM) algorithm is often used to obtain maximum likelihood estimates. However, EM heavily depends on initial configurations and fails to find the global optimum. On the other hand, in the field of physics, quantum annealing (QA) was proposed as a novel optimization approach. Motivated by QA, we propose a quantum annealing extension of EM, which we call the deterministic quantum annealing expectation-maximization (DQAEM) algorithm. We also discuss its advantage in terms of the path integral formulation. Furthermore, by employing numerical simulations, we illustrate how DQAEM works in MLE and show that DQAEM moderate the problem of local optima in EM.

Repelling, binding, and oscillating of two-particle discrete-time quantum walks

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

Wang, Qinghao; Li, Zhi-Jian, E-mail: zjli@sxu.edu.cn

In this paper, we investigate the effects of particle–particle interaction and static force on the propagation of probability distribution in two-particle discrete-time quantum walk, where the interaction and static force are expressed as a collision phase and a linear position-dependent phase, respectively. It is found that the interaction can lead to boson repelling and fermion binding. The static force also induces Bloch oscillation and results in a continuous transition from boson bunching to fermion anti-bunching. The interplays of particle–particle interaction, quantum interference, and Bloch oscillation provide a versatile framework to study and simulate many-particle physics via quantum walks.

Novel systems and methods for quantum communication, quantum computation, and quantum simulation

NASA Astrophysics Data System (ADS)

Gorshkov, Alexey Vyacheslavovich

Precise control over quantum systems can enable the realization of fascinating applications such as powerful computers, secure communication devices, and simulators that can elucidate the physics of complex condensed matter systems. However, the fragility of quantum effects makes it very difficult to harness the power of quantum mechanics. In this thesis, we present novel systems and tools for gaining fundamental insights into the complex quantum world and for bringing practical applications of quantum mechanics closer to reality. We first optimize and show equivalence between a wide range of techniques for storage of photons in atomic ensembles. We describe experiments demonstrating the potential of our optimization algorithms for quantum communication and computation applications. Next, we combine the technique of photon storage with strong atom-atom interactions to propose a robust protocol for implementing the two-qubit photonic phase gate, which is an important ingredient in many quantum computation and communication tasks. In contrast to photon storage, many quantum computation and simulation applications require individual addressing of closely-spaced atoms, ions, quantum dots, or solid state defects. To meet this requirement, we propose a method for coherent optical far-field manipulation of quantum systems with a resolution that is not limited by the wavelength of radiation. While alkali atoms are currently the system of choice for photon storage and many other applications, we develop new methods for quantum information processing and quantum simulation with ultracold alkaline-earth atoms in optical lattices. We show how multiple qubits can be encoded in individual alkaline-earth atoms and harnessed for quantum computing and precision measurements applications. We also demonstrate that alkaline-earth atoms can be used to simulate highly symmetric systems exhibiting spin-orbital interactions and capable of providing valuable insights into strongly correlated physics of transition metal oxides, heavy fermion materials, and spin liquid phases. While ultracold atoms typically exhibit only short-range interactions, numerous exotic phenomena and practical applications require long-range interactions, which can be achieved with ultracold polar molecules. We demonstrate the possibility to engineer a repulsive interaction between polar molecules, which allows for the suppression of inelastic collisions, efficient evaporative cooling, and the creation of novel phases of polar molecules.

Purcell effect in triangular plasmonic nanopatch antennas with three-layer colloidal quantum dots

NASA Astrophysics Data System (ADS)

Eliseev, S. P.; Kurochkin, N. S.; Vergeles, S. S.; Sychev, V. V.; Chubich, D. A.; Argyrakis, P.; Kolymagin, D. A.; Vitukhnovskii, A. G.

2017-05-01

A model describing a plasmonic nanopatch antenna based on triangular silver nanoprisms and multilayer cadmium chalcogenide quantum dots is introduced. Electromagnetic-field distributions in nanopatch antennas with different orientations of the quantum-dot dipoles are calculated for the first time with the finite element method for numerical electrodynamics simulations. The energy flux through the surface of an emitting quantum dot is calculated for the configurations with the dot in free space, on an aluminum substrate, and in a nanopatch antenna. It is shown that the radiative part of the Purcell factor is as large as 1.7 × 102 The calculated photoluminescence lifetimes of a CdSe/CdS/ZnS colloidal quantum dot in a nanopatch antenna based on a silver nanoprism agree well with the experimental results.

Chaos in Dirac Electron Optics: Emergence of a Relativistic Quantum Chimera.

PubMed

Xu, Hong-Ya; Wang, Guang-Lei; Huang, Liang; Lai, Ying-Cheng

2018-03-23

We uncover a remarkable quantum scattering phenomenon in two-dimensional Dirac material systems where the manifestations of both classically integrable and chaotic dynamics emerge simultaneously and are electrically controllable. The distinct relativistic quantum fingerprints associated with different electron spin states are due to a physical mechanism analogous to a chiroptical effect in the presence of degeneracy breaking. The phenomenon mimics a chimera state in classical complex dynamical systems but here in a relativistic quantum setting-henceforth the term "Dirac quantum chimera," associated with which are physical phenomena with potentially significant applications such as enhancement of spin polarization, unusual coexisting quasibound states for distinct spin configurations, and spin selective caustics. Experimental observations of these phenomena are possible through, e.g., optical realizations of ballistic Dirac fermion systems.

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

Dumitrescu, Eugene; Humble, Travis S.

The accurate and reliable characterization of quantum dynamical processes underlies efforts to validate quantum technologies, where discrimination between competing models of observed behaviors inform efforts to fabricate and operate qubit devices. We present a protocol for quantum channel discrimination that leverages advances in direct characterization of quantum dynamics (DCQD) codes. We demonstrate that DCQD codes enable selective process tomography to improve discrimination between entangling and correlated quantum dynamics. Numerical simulations show selective process tomography requires only a few measurement configurations to achieve a low false alarm rate and that the DCQD encoding improves the resilience of the protocol to hiddenmore » sources of noise. Lastly, our results show that selective process tomography with DCQD codes is useful for efficiently distinguishing sources of correlated crosstalk from uncorrelated noise in current and future experimental platforms.« less

Chaos in Dirac Electron Optics: Emergence of a Relativistic Quantum Chimera

NASA Astrophysics Data System (ADS)

Xu, Hong-Ya; Wang, Guang-Lei; Huang, Liang; Lai, Ying-Cheng

2018-03-01

We uncover a remarkable quantum scattering phenomenon in two-dimensional Dirac material systems where the manifestations of both classically integrable and chaotic dynamics emerge simultaneously and are electrically controllable. The distinct relativistic quantum fingerprints associated with different electron spin states are due to a physical mechanism analogous to a chiroptical effect in the presence of degeneracy breaking. The phenomenon mimics a chimera state in classical complex dynamical systems but here in a relativistic quantum setting—henceforth the term "Dirac quantum chimera," associated with which are physical phenomena with potentially significant applications such as enhancement of spin polarization, unusual coexisting quasibound states for distinct spin configurations, and spin selective caustics. Experimental observations of these phenomena are possible through, e.g., optical realizations of ballistic Dirac fermion systems.

Dirac Cellular Automaton from Split-step Quantum Walk

PubMed Central

Mallick, Arindam; Chandrashekar, C. M.

2016-01-01

Simulations of one quantum system by an other has an implication in realization of quantum machine that can imitate any quantum system and solve problems that are not accessible to classical computers. One of the approach to engineer quantum simulations is to discretize the space-time degree of freedom in quantum dynamics and define the quantum cellular automata (QCA), a local unitary update rule on a lattice. Different models of QCA are constructed using set of conditions which are not unique and are not always in implementable configuration on any other system. Dirac Cellular Automata (DCA) is one such model constructed for Dirac Hamiltonian (DH) in free quantum field theory. Here, starting from a split-step discrete-time quantum walk (QW) which is uniquely defined for experimental implementation, we recover the DCA along with all the fine oscillations in position space and bridge the missing connection between DH-DCA-QW. We will present the contribution of the parameters resulting in the fine oscillations on the Zitterbewegung frequency and entanglement. The tuneability of the evolution parameters demonstrated in experimental implementation of QW will establish it as an efficient tool to design quantum simulator and approach quantum field theory from principles of quantum information theory. PMID:27184159

Configurational assignments of conformationally restricted bis-monoterpene hydroquinones: Utility in exploration of endangered plants

Treesearch

Joonseok Oh; John J. Bowling; Amar G. Chittiboyina; Robert J. Doerksen; Daneel Ferreira; Theodor D. Leininger; Mark T. Hamann

2013-01-01

Endangered plant species are an important resource for new chemistry. Lindera melissifolia is native to the Southeastern U.S. and scarcely populates the edges of lakes and ponds. Quantum mechanics (QM) used in combination with NMR/ECD is a powerful tool for the assignment of absolute configuration in lieu of X-ray crystallography. Methods: The EtOAc extract of L....

Spin-electron acoustic soliton and exchange interaction in separate spin evolution quantum plasmas

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

Andreev, Pavel A., E-mail: andreevpa@physics.msu.ru

Separate spin evolution quantum hydrodynamics is generalized to include the Coulomb exchange interaction, which is considered as interaction between the spin-down electrons being in quantum states occupied by one electron. The generalized model is applied to study the non-linear spin-electron acoustic waves. Existence of the spin-electron acoustic soliton is demonstrated. Contributions of concentration, spin polarization, and exchange interaction to the properties of the spin electron acoustic soliton are studied.

Quantum capacity of quantum black holes

NASA Astrophysics Data System (ADS)

Adami, Chris; Bradler, Kamil

2014-03-01

The fate of quantum entanglement interacting with a black hole has been an enduring mystery, not the least because standard curved space field theory does not address the interaction of black holes with matter. We discuss an effective Hamiltonian of matter interacting with a black hole that has a precise analogue in quantum optics and correctly reproduces both spontaneous and stimulated Hawking radiation with grey-body factors. We calculate the quantum capacity of this channel in the limit of perfect absorption, as well as in the limit of a perfectly reflecting black hole (a white hole). We find that the white hole is an optimal quantum cloner, and is isomorphic to the Unruh channel with positive quantum capacity. The complementary channel (across the horizon) is entanglement-breaking with zero capacity, avoiding a violation of the quantum no-cloning theorem. The black hole channel on the contrary has vanishing capacity, while its complement has positive capacity instead. Thus, quantum states can be reconstructed faithfully behind the black hole horizon, but not outside. This work sheds new light on black hole complementarity because it shows that black holes can both reflect and absorb quantum states without violating the no-cloning theorem, and makes quantum firewalls obsolete.

Behavior of light polarization in photon-scalar interaction

NASA Astrophysics Data System (ADS)

Azizi, Azizollah; Nasirimoghadam, Soudabe

2017-11-01

Quantum theories of gravity help us to improve our insight into the gravitational interactions. Motivated by the interesting effect of gravity on the photon trajectory, we treat a quantum recipe concluding a classical interaction of light and a massive object such as the sun. We use the linear quantum gravity to compute the classical potential of a photon interacting with a massive scalar. The leading terms have a traditional 1/r subordinate and demonstrate a polarization-dependent behavior. This result challenges the equivalence principle; attractive and/or repulsive interactions are admissible.

Counterfactual Measurements and the Quantum Zeno Effect

NASA Astrophysics Data System (ADS)

Russo, Onofrio; Jiang, Liang

2014-03-01

The apparent paradoxical paradigm of an interaction free measurement (counterfactual measurement) of the presence of a classical or quantum object without any scattering or absorption of photons is considered in light of the quantum Zeno effect. From one perspective, the counterfactual measurement in principle is consistent with minimizing the interaction between the object and the photon. However, the quantum Zeno effect mandates that repeated interactions with photons (although weakly coupled) are required and necessary to inhibit the coherent evolution of the state of the system. We consider and appraise these seemingly conflicting concepts.

Positive spaces, generalized semi-densities, and quantum interactions

NASA Astrophysics Data System (ADS)

Canarutto, Daniel

2012-03-01

The basics of quantum particle physics on a curved Lorentzian background are expressed in a formulation which has original aspects and exploits some non-standard mathematical notions. In particular, positive spaces and generalized semi-densities (in a distributional sense) are shown to link, in a natural way, discrete multi-particle spaces to distributional bundles of quantum states. The treatment of spinor and boson fields is partly original also from an algebraic point of view and suggests a non-standard approach to quantum interactions. The case of electroweak interactions provides examples.

Single-photon non-linear optics with a quantum dot in a waveguide

NASA Astrophysics Data System (ADS)

Javadi, A.; Söllner, I.; Arcari, M.; Hansen, S. Lindskov; Midolo, L.; Mahmoodian, S.; Kiršanskė, G.; Pregnolato, T.; Lee, E. H.; Song, J. D.; Stobbe, S.; Lodahl, P.

2015-10-01

Strong non-linear interactions between photons enable logic operations for both classical and quantum-information technology. Unfortunately, non-linear interactions are usually feeble and therefore all-optical logic gates tend to be inefficient. A quantum emitter deterministically coupled to a propagating mode fundamentally changes the situation, since each photon inevitably interacts with the emitter, and highly correlated many-photon states may be created. Here we show that a single quantum dot in a photonic-crystal waveguide can be used as a giant non-linearity sensitive at the single-photon level. The non-linear response is revealed from the intensity and quantum statistics of the scattered photons, and contains contributions from an entangled photon-photon bound state. The quantum non-linearity will find immediate applications for deterministic Bell-state measurements and single-photon transistors and paves the way to scalable waveguide-based photonic quantum-computing architectures.

Spectroscopy of Charged Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Stinaff, E. A.; Scheibner, M.; Bracker, A. S.; Ponomarev, I. V.; Ware, M. E.; Doty, M. F.; Reinecke, T. L.; Gammon, D.; Korenev, V. L.

2006-03-01

Spins of single charges in quantum dots are attractive for many quantum information and spintronic proposals. Scalable quantum information applications require the ability to entangle and operate on multiple spins in coupled quantum dots (CQDs). To further the understanding of these systems, we present detailed spectroscopic studies of InAs CQDs with control of the discrete electron or hole charging of the system. The optical spectrum reveals a pattern of energy anticrossings and crossings in the photoluminescence as a function of applied electric field. These features can be understood as a superposition of charge and spin configurations of the two dots and represent clear signatures of quantum mechanical coupling. The molecular resonance leading to these anticrossings is achieved at different electric fields for the optically excited (trion) states and the ground (hole) states allowing for the possibility of using the excited states for optically induced coupling of the qubits.

Comment on “Propagation of surface waves on a semi-bounded quantum magnetized collisional plasma” [Phys. Plasmas 20, 122106 (2013)

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

Moradi, Afshin, E-mail: a.moradi@kut.ac.ir

2016-04-15

In a recent article [Niknam et al., Phys. Plasmas 20, 122106 (2013)], Niknam et al. investigated the propagation of TM surface waves on a semi-bounded quantum magnetized collisional plasma in the Faraday configuration (in this case, the magnetic field is parallel to the both of the plasma surface and direction of propagation). Here, we present a fresh look at the problem and show that TM surface waves cannot propagate on surface of the present system. We find in the Faraday configuration the surface waves acquire both TM and TE components due to the cyclotron motion of electrons. Therefore, the mainmore » result of the work by Niknam et al. is incorrect.« less

Admittance measurements in the quantum Hall effect regime

NASA Astrophysics Data System (ADS)

Hernández, C.; Consejo, C.; Chaubet, C.

2014-11-01

In this work we present an admittance study of a two-dimensional electron gas (2DEG) in the quantum Hall effect (QHE) regime. We have studied several Hall bars in different contacts configurations in the frequency range 100 Hz-1 MHz. Our interpretation is based on the Landauer-Büttiker theory and takes into account both the capacitance and the topology of the coaxial cables which are connected to the sample holder. We show that we always observe losses through the capacitive impedance of the coaxial cables, except in the two contacts configuration in which the cable capacitance does not influence the admittance measurement of the sample. In this case, we measure the electrochemical capacitance of the 2DEG and show its dependence with the filling factor ν.

All-optical signatures of strong-field QED in the vacuum emission picture

NASA Astrophysics Data System (ADS)

Gies, Holger; Karbstein, Felix; Kohlfürst, Christian

2018-02-01

We study all-optical signatures of the effective nonlinear couplings among electromagnetic fields in the quantum vacuum, using the collision of two focused high-intensity laser pulses as an example. The experimental signatures of quantum vacuum nonlinearities are encoded in signal photons, whose kinematic and polarization properties differ from the photons constituting the macroscopic laser fields. We implement an efficient numerical algorithm allowing for the theoretical investigation of such signatures in realistic field configurations accessible in experiment. This algorithm is based on a vacuum emission scheme and can readily be adapted to the collision of more laser beams or further involved field configurations. We solve the case of two colliding pulses in full 3 +1 -dimensional spacetime and identify experimental geometries and parameter regimes with improved signal-to-noise ratios.

Metasurface-Enabled Remote Quantum Interference.

PubMed

Jha, Pankaj K; Ni, Xingjie; Wu, Chihhui; Wang, Yuan; Zhang, Xiang

2015-07-10

An anisotropic quantum vacuum (AQV) opens novel pathways for controlling light-matter interaction in quantum optics, condensed matter physics, etc. Here, we theoretically demonstrate a strong AQV over macroscopic distances enabled by a judiciously designed array of subwavelength-scale nanoantennas-a metasurface. We harness the phase-control ability and the polarization-dependent response of the metasurface to achieve strong anisotropy in the decay rate of a quantum emitter located over distances of hundreds of wavelengths. Such an AQV induces quantum interference among radiative decay channels in an atom with orthogonal transitions. Quantum vacuum engineering with metasurfaces holds promise for exploring new paradigms of long-range light-matter interaction for atom optics, solid-state quantum optics, quantum information processing, etc.

Matter wave coupling of spatially separated and unequally pumped polariton condensates

NASA Astrophysics Data System (ADS)

Kalinin, Kirill P.; Lagoudakis, Pavlos G.; Berloff, Natalia G.

2018-03-01

Spatial quantum coherence between two separated driven-dissipative polariton condensates created nonresonantly and with a different occupation is studied. We identify the regions where the condensates remain coherent with the phase difference continuously changing with the pumping imbalance and the regions where each condensate acquires its own chemical potential with phase differences exhibiting time-dependent oscillations. We show that in the mutual coherence limit the coupling consists of two competing contributions: a symmetric Heisenberg exchange and the Dzyloshinskii-Moriya asymmetric interactions that enable a continuous tuning of the phase relation across the dyad and derive analytic expressions for these types of interactions. The introduction of nonequal pumping increases the complexity of the type of problems that can be solved by polariton condensates arranged in a graph configuration. If equally pumped polaritons condensates arrange their phases to solve the constrained quadratic minimisation problem with a real symmetric matrix, the nonequally pumped condensates solve that problem for a general Hermitian matrix.

Invoking Direct Exciton-Plasmon Interactions by Catalytic Ag Deposition on Au Nanoparticles: Photoelectrochemical Bioanalysis with High Efficiency.

PubMed

Ma, Zheng-Yuan; Xu, Fei; Qin, Yu; Zhao, Wei-Wei; Xu, Jing-Juan; Chen, Hong-Yuan

2016-04-19

In this work, direct exciton-plasmon interactions (EPI) between CdS quantum dots (QDs) and Ag nanoparticles (NPs) were invoked ingeniously by catalytic Ag deposition on Au NPs for the stimulation of high efficient damping effect toward the excitonic responses in CdS QDs, on the basis of which a novel photoelectrochemical (PEC) bioanalytical format was achieved for sensitive microRNA detection. Specifically, upon the configurational change from the hairpin probe DNA to the "Y"-shaped ternary conjugate consisting of the original probe DNA, assistant DNA, and the target microRNA, the alkaline phosphatase (ALP) catalytic chemistry would then trigger the transition of the interparticle interplay from the CdS QDs-Au NPs to the CdS QDs-Ag NPs systems for the microRNA detection due to the dependence of the photocurrent quenching on the target concentration. This work not only provided a unique method for EPI generation among the PEC nanosystems but also offered a versatile and general protocol for future PEC bioanalysis development.

Theoretical Studies of Dissociative Recombination of Electrons with SH+ Ions

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; di Nallo, O. E.; Hickman, A. P.; Mezei, J. Zs.; Schneider, I. F.; Talbi, D.

2015-05-01

We are investigating the dissociative recombination (DR) of electrons with the molecular ion SH+. (The process is e- +SH+ --> S + H .) SH+ is found in the interstellar medium (ISM), and little is known concerning its interstellar chemistry. The abundance of SH+ in the ISM suggests that destruction processes, like DR, are inefficient. Understanding the role of DR as a destruction pathway for SH+ will lead to more accurate astrophysical models. Large active-space multi-reference configuration interaction (MRCI) electronic structure calculations were performed to obtain excited-state potential energy curves (PECs) for several values of SH separation. Excited Rydberg states have proven to be of importance. The block diagonalization method was used to disentangle interacting states, forming a diabatic representation of the PECs. Currently we are performing Multichannel Quantum Defect Theory (MQDT) dynamics calculations to obtain DR rates. The status of the work will be presented at the conference. Work supported by the French CNRS, the NSF, the XSEDE, and USMA.

Probing the electronic structure of UO+ with high-resolution photoelectron spectroscopy.

PubMed

Goncharov, Vasiliy; Kaledin, Leonid A; Heaven, Michael C

2006-10-07

The pulsed field ionization-zero kinetic energy photoelectron technique has been used to observe the low-lying energy levels of UO+. Rotationally resolved spectra were recorded for the ground state and the first nine electronically excited states. Extensive vibrational progressions were characterized. Omega+ assignments were unambiguously determined from the first rotational lines identified in each vibronic band. Term energies, vibrational frequencies, and anharmonicity constants for low-lying energy levels of UO+ are reported. In addition, accurate values for the ionization energies for UO [48,643.8(2) cm(-1)] and U [49,957.6(2) cm(-1)] were determined. The pattern of low-lying electronic states for UO+ indicates that they originate from the U3+(5f3)O2- configuration, where the uranium ion-centered interactions between the 5f electrons are significantly stronger than interactions with the intramolecular electric field. The latter lifts the degeneracy of U3+ ion-core states, but the atomic angular momentum quantum numbers remain reasonably well defined.

Spin-orbit coupling induced two-electron relaxation in silicon donor pairs

NASA Astrophysics Data System (ADS)

Song, Yang; Das Sarma, S.

2017-09-01

We unravel theoretically a key intrinsic relaxation mechanism among the low-lying singlet and triplet donor-pair states in silicon, an important element in the fast-developing field of spintronics and quantum computation. Despite the perceived weak spin-orbit coupling (SOC) in Si, we find that our discovered relaxation mechanism, combined with the electron-phonon and interdonor interactions, drives the transitions in the two-electron states over a large range of donor coupling regimes. The scaling of the relaxation rate with interdonor exchange interaction J goes from J5 to J4 at the low to high temperature limits. Our analytical study draws on the symmetry analysis over combined band, donor envelope, and valley configurations. It uncovers naturally the dependence on the donor-alignment direction and triplet spin orientation, and especially on the dominant SOC source from donor impurities. While a magnetic field is not necessary for this relaxation, unlike in the single-donor spin relaxation, we discuss the crossover behavior with increasing Zeeman energy in order to facilitate comparison with experiments.

Strong electronic interaction and multiple quantum Hall ferromagnetic phases in trilayer graphene

NASA Astrophysics Data System (ADS)

Datta, Biswajit; Dey, Santanu; Samanta, Abhisek; Agarwal, Hitesh; Borah, Abhinandan; Watanabe, Kenji; Taniguchi, Takashi; Sensarma, Rajdeep; Deshmukh, Mandar M.

2017-02-01

Quantum Hall effect provides a simple way to study the competition between single particle physics and electronic interaction. However, electronic interaction becomes important only in very clean graphene samples and so far the trilayer graphene experiments are understood within non-interacting electron picture. Here, we report evidence of strong electronic interactions and quantum Hall ferromagnetism seen in Bernal-stacked trilayer graphene. Due to high mobility ~500,000 cm2 V-1 s-1 in our device compared to previous studies, we find all symmetry broken states and that Landau-level gaps are enhanced by interactions; an aspect explained by our self-consistent Hartree-Fock calculations. Moreover, we observe hysteresis as a function of filling factor and spikes in the longitudinal resistance which, together, signal the formation of quantum Hall ferromagnetic states at low magnetic field.

Quantum System Identification via L1-norm Minimization

DTIC Science & Technology

2011-06-30

number of entangled states for varying levels of amplitude damping γ. tude damping γ. In photonic systems γ is the probability of a photon loss. In...quantum process is a photonic entangling gate. A measurement configuration is defined as some combination of state preparation and an observable...first experimental demonstration of QPT via CS on a photonic system at the University of Queensland. The latter experimental results showed the

Adiabatic Quantum Simulation of Quantum Chemistry

PubMed Central

Babbush, Ryan; Love, Peter J.; Aspuru-Guzik, Alán

2014-01-01

We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions. PMID:25308187

Detection of light-matter interaction in the weak-coupling regime by quantum light

NASA Astrophysics Data System (ADS)

Bin, Qian; Lü, Xin-You; Zheng, Li-Li; Bin, Shang-Wu; Wu, Ying

2018-04-01

"Mollow spectroscopy" is a photon statistics spectroscopy, obtained by scanning the quantum light scattered from a source system. Here, we apply this technique to detect the weak light-matter interaction between the cavity and atom (or a mechanical oscillator) when the strong system dissipation is included. We find that the weak interaction can be measured with high accuracy when exciting the target cavity by quantum light scattered from the source halfway between the central peak and each side peak. This originally comes from the strong correlation of the injected quantum photons. In principle, our proposal can be applied into the normal cavity quantum electrodynamics system described by the Jaynes-Cummings model and an optomechanical system. Furthermore, it is state of the art for experiment even when the interaction strength is reduced to a very small value.

Storage of multiple single-photon pulses emitted from a quantum dot in a solid-state quantum memory.

PubMed

Tang, Jian-Shun; Zhou, Zong-Quan; Wang, Yi-Tao; Li, Yu-Long; Liu, Xiao; Hua, Yi-Lin; Zou, Yang; Wang, Shuang; He, De-Yong; Chen, Geng; Sun, Yong-Nan; Yu, Ying; Li, Mi-Feng; Zha, Guo-Wei; Ni, Hai-Qiao; Niu, Zhi-Chuan; Li, Chuan-Feng; Guo, Guang-Can

2015-10-15

Quantum repeaters are critical components for distributing entanglement over long distances in presence of unavoidable optical losses during transmission. Stimulated by the Duan-Lukin-Cirac-Zoller protocol, many improved quantum repeater protocols based on quantum memories have been proposed, which commonly focus on the entanglement-distribution rate. Among these protocols, the elimination of multiple photons (or multiple photon-pairs) and the use of multimode quantum memory are demonstrated to have the ability to greatly improve the entanglement-distribution rate. Here, we demonstrate the storage of deterministic single photons emitted from a quantum dot in a polarization-maintaining solid-state quantum memory; in addition, multi-temporal-mode memory with 1, 20 and 100 narrow single-photon pulses is also demonstrated. Multi-photons are eliminated, and only one photon at most is contained in each pulse. Moreover, the solid-state properties of both sub-systems make this configuration more stable and easier to be scalable. Our work will be helpful in the construction of efficient quantum repeaters based on all-solid-state devices.

Storage of multiple single-photon pulses emitted from a quantum dot in a solid-state quantum memory

PubMed Central

Tang, Jian-Shun; Zhou, Zong-Quan; Wang, Yi-Tao; Li, Yu-Long; Liu, Xiao; Hua, Yi-Lin; Zou, Yang; Wang, Shuang; He, De-Yong; Chen, Geng; Sun, Yong-Nan; Yu, Ying; Li, Mi-Feng; Zha, Guo-Wei; Ni, Hai-Qiao; Niu, Zhi-Chuan; Li, Chuan-Feng; Guo, Guang-Can

2015-01-01

Quantum repeaters are critical components for distributing entanglement over long distances in presence of unavoidable optical losses during transmission. Stimulated by the Duan–Lukin–Cirac–Zoller protocol, many improved quantum repeater protocols based on quantum memories have been proposed, which commonly focus on the entanglement-distribution rate. Among these protocols, the elimination of multiple photons (or multiple photon-pairs) and the use of multimode quantum memory are demonstrated to have the ability to greatly improve the entanglement-distribution rate. Here, we demonstrate the storage of deterministic single photons emitted from a quantum dot in a polarization-maintaining solid-state quantum memory; in addition, multi-temporal-mode memory with 1, 20 and 100 narrow single-photon pulses is also demonstrated. Multi-photons are eliminated, and only one photon at most is contained in each pulse. Moreover, the solid-state properties of both sub-systems make this configuration more stable and easier to be scalable. Our work will be helpful in the construction of efficient quantum repeaters based on all-solid-state devices. PMID:26468996

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

PubMed Central

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

2014-01-01

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

Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

NASA Astrophysics Data System (ADS)

Zhou, Chi-Chun; Dai, Wu-Sheng

2018-02-01

In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

Relativistic quantum optics: The relativistic invariance of the light-matter interaction models

NASA Astrophysics Data System (ADS)

Martín-Martínez, Eduardo; Rodriguez-Lopez, Pablo

2018-05-01

In this article we discuss the invariance under general changes of reference frame of all the physical predictions of particle detector models in quantum field theory in general and, in particular, of those used in quantum optics to model atoms interacting with light. We find explicitly how the light-matter interaction Hamiltonians change under general coordinate transformations, and analyze the subtleties of the Hamiltonians commonly used to describe the light-matter interaction when relativistic motion is taken into account.

Pumped spin and charge currents from applying a microwave field to a quantum dot between two magnetic leads

NASA Astrophysics Data System (ADS)

Zhou, Yun-Qing; Wang, Rui-Qiang; Sheng, L.; Wang, Baigeng; Xing, D. Y.

2008-10-01

The evolution-operator approach is applied to studying photon-electron-pumping effects on a quantum dot connected to two magnetic leads in the presence of both via-dot and over-dot tunneling channels. It is found that a microwave field applied to the quantum dot may give rise to charge and spin pumpings at zero-bias voltage for asymmetric magnetic junctions. More interestingly, a pure spin current can be pumped for symmetric magnetic junctions in the antiparallel magnetization configuration, providing an idea for the design of spin batteries.

Laterally coupled circular quantum dots under applied electric field

NASA Astrophysics Data System (ADS)

Duque, C. M.; Correa, J. D.; Morales, A. L.; Mora-Ramos, M. E.; Duque, C. A.

2016-03-01

The optical response of a system of two laterally coupled quantum dots with circular cross-sectional shape is investigated within the effective mass approximation, taking into account the effects of the change in the geometrical configuration, the application of an external static electric field, and the presence of a donor impurity center. The first-order dielectric susceptibility is calculated in order to derive the corresponding light absorption and relative refractive index coefficients. The possibility of tuning these optical properties by means of changes in the quantum dot symmetry and the electric field intensity is particularly discussed.

Resonant tunneling in graphene pseudomagnetic quantum dots.

PubMed

Qi, Zenan; Bahamon, D A; Pereira, Vitor M; Park, Harold S; Campbell, D K; Neto, A H Castro

2013-06-12

Realistic relaxed configurations of triaxially strained graphene quantum dots are obtained from unbiased atomistic mechanical simulations. The local electronic structure and quantum transport characteristics of y-junctions based on such dots are studied, revealing that the quasi-uniform pseudomagnetic field induced by strain restricts transport to Landau level- and edge state-assisted resonant tunneling. Valley degeneracy is broken in the presence of an external field, allowing the selective filtering of the valley and chirality of the states assisting in the resonant tunneling. Asymmetric strain conditions can be explored to select the exit channel of the y-junction.

Optical levitation of a mirror for reaching the standard quantum limit.

PubMed

Michimura, Yuta; Kuwahara, Yuya; Ushiba, Takafumi; Matsumoto, Nobuyuki; Ando, Masaki

2017-06-12

We propose a new method to optically levitate a macroscopic mirror with two vertical Fabry-Pérot cavities linearly aligned. This configuration gives the simplest possible optical levitation in which the number of laser beams used is the minimum of two. We demonstrate that reaching the standard quantum limit (SQL) of a displacement measurement with our system is feasible with current technology. The cavity geometry and the levitated mirror parameters are designed to ensure that the Brownian vibration of the mirror surface is smaller than the SQL. Our scheme provides a promising tool for testing macroscopic quantum mechanics.

Optical levitation of a mirror for reaching the standard quantum limit

NASA Astrophysics Data System (ADS)

Michimura, Yuta; Kuwahara, Yuya; Ushiba, Takafumi; Matsumoto, Nobuyuki; Ando, Masaki

2017-06-01

We propose a new method to optically levitate a macroscopic mirror with two vertical Fabry-P{\\'e}rot cavities linearly aligned. This configuration gives the simplest possible optical levitation in which the number of laser beams used is the minimum of two. We demonstrate that reaching the standard quantum limit (SQL) of a displacement measurement with our system is feasible with current technology. The cavity geometry and the levitated mirror parameters are designed to ensure that the Brownian vibration of the mirror surface is smaller than the SQL. Our scheme provides a promising tool for testing macroscopic quantum mechanics.

Giant gain from spontaneously generated coherence in Y-type double quantum dot structure

NASA Astrophysics Data System (ADS)

Al-Nashy, B.; Razzaghi, Sonia; Al-Musawi, Muwaffaq Abdullah; Rasooli Saghai, H.; Al-Khursan, Amin H.

A theoretical model was presented for linear susceptibility using density matrix theory for Y-configuration of double quantum dots (QDs) system including spontaneously generated coherence (SGC). Two SGC components are included for this system: V, and Λ subsystems. It is shown that at high V-component, the system have a giga gain. At low Λ-system component; it is possible to controls the light speed between superluminal and subluminal using one parameter by increasing SGC component of the V-system. This have applications in quantum information storage and spatially-varying temporal clock.

Electrical control of single hole spins in nanowire quantum dots.

PubMed

Pribiag, V S; Nadj-Perge, S; Frolov, S M; van den Berg, J W G; van Weperen, I; Plissard, S R; Bakkers, E P A M; Kouwenhoven, L P

2013-03-01

The development of viable quantum computation devices will require the ability to preserve the coherence of quantum bits (qubits). Single electron spins in semiconductor quantum dots are a versatile platform for quantum information processing, but controlling decoherence remains a considerable challenge. Hole spins in III-V semiconductors have unique properties, such as a strong spin-orbit interaction and weak coupling to nuclear spins, and therefore, have the potential for enhanced spin control and longer coherence times. A weaker hyperfine interaction has previously been reported in self-assembled quantum dots using quantum optics techniques, but the development of hole-spin-based electronic devices in conventional III-V heterostructures has been limited by fabrication challenges. Here, we show that gate-tunable hole quantum dots can be formed in InSb nanowires and used to demonstrate Pauli spin blockade and electrical control of single hole spins. The devices are fully tunable between hole and electron quantum dots, which allows the hyperfine interaction strengths, g-factors and spin blockade anisotropies to be compared directly in the two regimes.

Photoluminescence kinetics slowdown in an ensemble of GaN/AlN quantum dots upon tunneling interaction with defects

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

Aleksandrov, I. A., E-mail: Aleksandrov@isp.nsc.ru; Mansurov, V. G.; Zhuravlev, K. S.

2016-08-15

The carrier recombination dynamics in an ensemble of GaN/AlN quantum dots is studied. The model proposed for describing this dynamics takes into account the transition of carriers between quantum dots and defects in a matrix. Comparison of the experimental and calculated photoluminescence decay curves shows that the interaction between quantum dots and defects slows down photoluminescence decay in the ensemble of GaN/AlN quantum dots.