Krasnoshchekov, Sergey V; Stepanov, Nikolay F
2013-11-14
In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.
Quantum random number generator
Soubusta, Jan; Haderka, Ondrej; Hendrych, Martin
2001-03-01
Since reflection or transmission of a quantum particle on a beamsplitter is inherently random quantum process, a device built on this principle does not suffer from drawbacks of neither pseudo-random computer generators or classical noise sources. Nevertheless, a number of physical conditions necessary for high quality random numbers generation must be satisfied. Luckily, in quantum optics realization they can be well controlled. We present an easy random number generator based on the division of weak light pulses on a beamsplitter. The randomness of the generated bit stream is supported by passing the data through series of 15 statistical test. The device generates at a rate of 109.7 kbit/s.
Schmidt number for quantum operations
International Nuclear Information System (INIS)
Huang Siendong
2006-01-01
To understand how entangled states behave under local quantum operations is an open problem in quantum-information theory. The Jamiolkowski isomorphism provides a natural way to study this problem in terms of quantum states. We introduce the Schmidt number for quantum operations by this duality and clarify how the Schmidt number of a quantum state changes under a local quantum operation. Some characterizations of quantum operations with Schmidt number k are also provided
Quantum random number generator
Pooser, Raphael C.
2016-05-10
A quantum random number generator (QRNG) and a photon generator for a QRNG are provided. The photon generator may be operated in a spontaneous mode below a lasing threshold to emit photons. Photons emitted from the photon generator may have at least one random characteristic, which may be monitored by the QRNG to generate a random number. In one embodiment, the photon generator may include a photon emitter and an amplifier coupled to the photon emitter. The amplifier may enable the photon generator to be used in the QRNG without introducing significant bias in the random number and may enable multiplexing of multiple random numbers. The amplifier may also desensitize the photon generator to fluctuations in power supplied thereto while operating in the spontaneous mode. In one embodiment, the photon emitter and amplifier may be a tapered diode amplifier.
Polynomials formalism of quantum numbers
International Nuclear Information System (INIS)
Kazakov, K.V.
2005-01-01
Theoretical aspects of the recently suggested perturbation formalism based on the method of quantum number polynomials are considered in the context of the general anharmonicity problem. Using a biatomic molecule by way of example, it is demonstrated how the theory can be extrapolated to the case of vibrational-rotational interactions. As a result, an exact expression for the first coefficient of the Herman-Wallis factor is derived. In addition, the basic notions of the formalism are phenomenologically generalized and expanded to the problem of spin interaction. The concept of magneto-optical anharmonicity is introduced. As a consequence, an exact analogy is drawn with the well-known electro-optical theory of molecules, and a nonlinear dependence of the magnetic dipole moment of the system on the spin and wave variables is established [ru
Quantum Monte Carlo for vibrating molecules
International Nuclear Information System (INIS)
Brown, W.R.; Lawrence Berkeley National Lab., CA
1996-08-01
Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H 2 O and C 3 vibrational states, using 7 PES's, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H 2 O and C 3 . In order to construct accurate trial wavefunctions for C 3 , the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C 3 the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C 3 PES's suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies
A fluctuating quantum model of the CO vibration in carboxyhemoglobin.
Falvo, Cyril; Meier, Christoph
2011-06-07
In this paper, we present a theoretical approach to construct a fluctuating quantum model of the CO vibration in heme-CO proteins and its interaction with external laser fields. The methodology consists of mixed quantum-classical calculations for a restricted number of snapshots, which are then used to construct a parametrized quantum model. As an example, we calculate the infrared absorption spectrum of carboxy-hemoglobin, based on a simplified protein model, and found the absorption linewidth in good agreement with the experimental results. © 2011 American Institute of Physics
Number-unconstrained quantum sensing
Mitchell, Morgan W.
2017-12-01
Quantum sensing is commonly described as a constrained optimization problem: maximize the information gained about an unknown quantity using a limited number of particles. Important sensors including gravitational wave interferometers and some atomic sensors do not appear to fit this description, because there is no external constraint on particle number. Here, we develop the theory of particle-number-unconstrained quantum sensing, and describe how optimal particle numbers emerge from the competition of particle-environment and particle-particle interactions. We apply the theory to optical probing of an atomic medium modeled as a resonant, saturable absorber, and observe the emergence of well-defined finite optima without external constraints. The results contradict some expectations from number-constrained quantum sensing and show that probing with squeezed beams can give a large sensitivity advantage over classical strategies when each is optimized for particle number.
Expected number of quantum channels in quantum networks
Chen, Xi; Wang, He-Ming; Ji, Dan-Tong; Mu, Liang-Zhu; Fan, Heng
2015-07-01
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.
Vibrations used to talk to quantum circuits
Cho, Adrian
2018-03-01
The budding discipline of quantum acoustics could shake up embryonic quantum computers. Such machines run by flipping quantum bits, or qubits, that can be set not only to zero or one, but, bizarrely, to zero and one at the same time. The most advanced qubits are circuits made of superconducting metal, and to control or read out a qubit, researchers make it interact with a microwave resonator—typically a strip of metal on the qubit chip or a finger-size cavity surrounding it—which rings with microwave photons like an organ pipe rings with sound. But some physicists see advantages to replacing the microwave resonator with a mechanical one that rings with quantized vibrations, or phonons. A well-designed acoustic resonator could ring longer than a microwave one does and could be far smaller, enabling researchers to produce more compact technologies. But first scientists must gain quantum control over vibrations. And several groups are on the cusp of doing that, as they reported at a recent meeting.
Quantum vibrational polarons: Crystalline acetanilide revisited
Hamm, Peter; Edler, Julian
2006-03-01
We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.
Topological quantum numbers in nonrelativistic physics
Thouless, David James
1998-01-01
Topological quantum numbers are distinguished from quantum numbers based on symmetry because they are insensitive to the imperfections of the systems in which they are observed. They have become very important in precision measurements in recent years, and provide the best measurements of voltage and electrical resistance. This book describes the theory of such quantum numbers, starting with Dirac's argument for the quantization of electric charge, and continuing with discussions on the helium superfluids, flux quantization and the Josephson effect in superconductors, the quantum Hall effect,
Ramsey numbers and adiabatic quantum computing.
Gaitan, Frank; Clark, Lane
2012-01-06
The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers R(m,n) with m, n≥3, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers R(m,n). We show how the computation of R(m,n) can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(2,s) for 5≤s≤7. We then discuss the algorithm's experimental implementation, and close by showing that Ramsey number computation belongs to the quantum complexity class quantum Merlin Arthur.
Limits on hypothesizing new quantum numbers
International Nuclear Information System (INIS)
Goldstein, G.R.; Moravcsik, M.J.
1986-01-01
According to a recent theorem, for a general quantum-mechanical system undergoing a process, one can tell from measurements on this system whether or not it is characterized by a quantum number, the existence of which is unknown to the observer, even though the detecting equipment used by the observer is unable to distinguish among the various possible values of the ''secret'' quantum number and hence always averages over them. The present paper deals with situations in which this averaging is avoided and hence the ''secret'' quantum number remains ''secret.'' This occurs when a new quantum number is hypothesized in such a way that all the past measurements pertain to the system with one and the same value of the ''secret'' quantum number, or when the new quantum number is related to the old ones by a specific dynamical model providing a one-to-one correspondence. In the first of these cases, however, the one and the same state of the ''secret'' quantum number needs to be a nondegenerate one. If it is degenerate, the theorem can again be applied. This last feature provides a tool for experimentally testing symmetry breaking and the reestablishment of symmetries in asymptotic regions. The situation is illustrated on historical examples like isospin and strangeness, as well as on some contemporary schemes involving spaces of higher dimensionality
Quantum Statistical Testing of a Quantum Random Number Generator
Energy Technology Data Exchange (ETDEWEB)
Humble, Travis S [ORNL
2014-01-01
The unobservable elements in a quantum technology, e.g., the quantum state, complicate system verification against promised behavior. Using model-based system engineering, we present methods for verifying the opera- tion of a prototypical quantum random number generator. We begin with the algorithmic design of the QRNG followed by the synthesis of its physical design requirements. We next discuss how quantum statistical testing can be used to verify device behavior as well as detect device bias. We conclude by highlighting how system design and verification methods must influence effort to certify future quantum technologies.
Asymptotics of quantum weighted Hurwitz numbers
Harnad, J.; Ortmann, Janosch
2018-06-01
This work concerns both the semiclassical and zero temperature asymptotics of quantum weighted double Hurwitz numbers. The partition function for quantum weighted double Hurwitz numbers can be interpreted in terms of the energy distribution of a quantum Bose gas with vanishing fugacity. We compute the leading semiclassical term of the partition function for three versions of the quantum weighted Hurwitz numbers, as well as lower order semiclassical corrections. The classical limit is shown to reproduce the simple single and double Hurwitz numbers studied by Okounkov and Pandharipande (2000 Math. Res. Lett. 7 447–53, 2000 Lett. Math. Phys. 53 59–74). The KP-Toda τ-function that serves as generating function for the quantum Hurwitz numbers is shown to have the τ-function of Okounkov and Pandharipande (2000 Math. Res. Lett. 7 447–53, 2000 Lett. Math. Phys. 53 59–74) as its leading term in the classical limit, and, with suitable scaling, the same holds for the partition function, the weights and expectations of Hurwitz numbers. We also compute the zero temperature limit of the partition function and quantum weighted Hurwitz numbers. The KP or Toda τ-function serving as generating function for the quantum Hurwitz numbers are shown to give the one for Belyi curves in the zero temperature limit and, with suitable scaling, the same holds true for the partition function, the weights and the expectations of Hurwitz numbers.
Quantum numbers and band topology of nanotubes
Energy Technology Data Exchange (ETDEWEB)
Damnjanovic, M [Faculty of Physics, University of Belgrade, POB 368, 11001 Belgrade (Yugoslavia); Milosevic, I [Faculty of Physics, University of Belgrade, POB 368, 11001 Belgrade (Yugoslavia); Vukovic, T [Faculty of Physics, University of Belgrade, POB 368, 11001 Belgrade (Yugoslavia); Maultzsch, J [Institut fuer Festkoerper Physik, Technische Universitaet Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)
2003-05-30
Nanotubes as well as polymers and quasi-1D subsystems of 3D crystals have line group symmetry. This allows two types of quantum numbers: roto-translational and helical. The roto-translational quantum numbers are linear and total angular (not conserved) momenta, while the helical quantum numbers are helical and complementary angular momenta. Their mutual relations determine some topological properties of energy bands, such as systematic band sticking or van Hove singularities related to parities. The importance of these conclusions is illustrated by the optical absorption in carbon nanotubes: parity may prevent absorption peaks at van Hove singularities.
Quantum numbers and band topology of nanotubes
International Nuclear Information System (INIS)
Damnjanovic, M; Milosevic, I; Vukovic, T; Maultzsch, J
2003-01-01
Nanotubes as well as polymers and quasi-1D subsystems of 3D crystals have line group symmetry. This allows two types of quantum numbers: roto-translational and helical. The roto-translational quantum numbers are linear and total angular (not conserved) momenta, while the helical quantum numbers are helical and complementary angular momenta. Their mutual relations determine some topological properties of energy bands, such as systematic band sticking or van Hove singularities related to parities. The importance of these conclusions is illustrated by the optical absorption in carbon nanotubes: parity may prevent absorption peaks at van Hove singularities
Quantum numbers and band topology of nanotubes
Damnjanovic, M; Vukovic, T; Maultzsch, J
2003-01-01
Nanotubes as well as polymers and quasi-1D subsystems of 3D crystals have line group symmetry. This allows two types of quantum numbers: roto-translational and helical. The roto-translational quantum numbers are linear and total angular (not conserved) momenta, while the helical quantum numbers are helical and complementary angular momenta. Their mutual relations determine some topological properties of energy bands, such as systematic band sticking or van Hove singularities related to parities. The importance of these conclusions is illustrated by the optical absorption in carbon nanotubes: parity may prevent absorption peaks at van Hove singularities.
Coherent Quantum Control of Multidimensional Vibrational Spectroscopy
National Research Council Canada - National Science Library
Mukamel, Shaul; Sanda, Frantisek; Harbola, Upendra; Venkatramani, Ravi; Varonine, Dmitri
2006-01-01
.... Factorial moments of photon counting statistics from a single molecule coupled to a quantum bath were expressed in terms of multipoint quantum correlation functions and represented by double-sided Feynman diagrams...
Random Numbers and Quantum Computers
McCartney, Mark; Glass, David
2002-01-01
The topic of random numbers is investigated in such a way as to illustrate links between mathematics, physics and computer science. First, the generation of random numbers by a classical computer using the linear congruential generator and logistic map is considered. It is noted that these procedures yield only pseudo-random numbers since…
Local vibrations and lift performance of low Reynolds number airfoil
Directory of Open Access Journals (Sweden)
TariqAmin Khan
2017-06-01
Full Text Available The 2D incompressible Navier-Stokes equations are solved based on the finite volume method and dynamic mesh technique is used to carry out partial fluid structure interaction. The local flexible structure (hereinafter termed as flexible structure vibrates in a single mode located on the upper surface of the airfoil. The Influence of vibration frequency and amplitude are examined and the corresponding fluid flow characteristics are investigated which add complexity to the inherent problem in unsteady flow. The study is conducted for flow over NACA0012 airfoil at 600≤Re≤3000 at a low angle of attack. Vibration of flexible structure induces a secondary vortex which modifies the pressure distribution and lift performance of the airfoil. At some moderate vibration amplitude, frequency synchronization or lock-in phenomenon occurs when the vibration frequency is close to the characteristic frequency of rigid airfoil. Evolution and shedding of vortices corresponding to the deformation of flexible structure depends on the Reynolds number. In the case of Re≤1000, the deformation of flexible structure is considered in-phase with the vortex shedding i.e., increasing maximum lift is linked with the positive deformation of flexible structure. At Re=1500 a phase shift of about 1/π exists while they are out-of-phase at Re>1500. Moreover, the oscillation amplitude of lift coefficient increases with increasing vibration amplitude for Re≤1500 while it decreases with increasing vibration amplitude for Re>1500. As a result of frequency lock-in, the average lift coefficient is increased with increasing vibration amplitude for all investigated Reynolds numbers (Re. The maximum increase in the average lift coefficient is 19.72% within the range of investigated parameters.
Parametric number covariance in quantum chaotic spectra.
Vinayak; Kumar, Sandeep; Pandey, Akhilesh
2016-03-01
We study spectral parametric correlations in quantum chaotic systems and introduce the number covariance as a measure of such correlations. We derive analytic results for the classical random matrix ensembles using the binary correlation method and obtain compact expressions for the covariance. We illustrate the universality of this measure by presenting the spectral analysis of the quantum kicked rotors for the time-reversal invariant and time-reversal noninvariant cases. A local version of the parametric number variance introduced earlier is also investigated.
Ultrafast quantum random number generation based on quantum phase fluctuations.
Xu, Feihu; Qi, Bing; Ma, Xiongfeng; Xu, He; Zheng, Haoxuan; Lo, Hoi-Kwong
2012-05-21
A quantum random number generator (QRNG) can generate true randomness by exploiting the fundamental indeterminism of quantum mechanics. Most approaches to QRNG employ single-photon detection technologies and are limited in speed. Here, we experimentally demonstrate an ultrafast QRNG at a rate over 6 Gbits/s based on the quantum phase fluctuations of a laser operating near threshold. Moreover, we consider a potential adversary who has partial knowledge on the raw data and discuss how one can rigorously remove such partial knowledge with postprocessing. We quantify the quantum randomness through min-entropy by modeling our system and employ two randomness extractors--Trevisan's extractor and Toeplitz-hashing--to distill the randomness, which is information-theoretically provable. The simplicity and high-speed of our experimental setup show the feasibility of a robust, low-cost, high-speed QRNG.
Transport through a vibrating quantum dot: Polaronic effects
International Nuclear Information System (INIS)
Koch, T; Alvermann, A; Fehske, H; Loos, J; Bishop, A R
2010-01-01
We present a Green's function based treatment of the effects of electron-phonon coupling on transport through a molecular quantum dot in the quantum limit. Thereby we combine an incomplete variational Lang-Firsov approach with a perturbative calculation of the electron-phonon self energy in the framework of generalised Matsubara Green functions and a Landauer-type transport description. Calculating the ground-state energy, the dot single-particle spectral function and the linear conductance at finite carrier density, we study the low-temperature transport properties of the vibrating quantum dot sandwiched between metallic leads in the whole electron-phonon coupling strength regime. We discuss corrections to the concept of an anti-adiabatic dot polaron and show how a deformable quantum dot can act as a molecular switch.
Source-Independent Quantum Random Number Generation
Cao, Zhu; Zhou, Hongyi; Yuan, Xiao; Ma, Xiongfeng
2016-01-01
Quantum random number generators can provide genuine randomness by appealing to the fundamental principles of quantum mechanics. In general, a physical generator contains two parts—a randomness source and its readout. The source is essential to the quality of the resulting random numbers; hence, it needs to be carefully calibrated and modeled to achieve information-theoretical provable randomness. However, in practice, the source is a complicated physical system, such as a light source or an atomic ensemble, and any deviations in the real-life implementation from the theoretical model may affect the randomness of the output. To close this gap, we propose a source-independent scheme for quantum random number generation in which output randomness can be certified, even when the source is uncharacterized and untrusted. In our randomness analysis, we make no assumptions about the dimension of the source. For instance, multiphoton emissions are allowed in optical implementations. Our analysis takes into account the finite-key effect with the composable security definition. In the limit of large data size, the length of the input random seed is exponentially small compared to that of the output random bit. In addition, by modifying a quantum key distribution system, we experimentally demonstrate our scheme and achieve a randomness generation rate of over 5 ×103 bit /s .
Source-Independent Quantum Random Number Generation
Directory of Open Access Journals (Sweden)
Zhu Cao
2016-02-01
Full Text Available Quantum random number generators can provide genuine randomness by appealing to the fundamental principles of quantum mechanics. In general, a physical generator contains two parts—a randomness source and its readout. The source is essential to the quality of the resulting random numbers; hence, it needs to be carefully calibrated and modeled to achieve information-theoretical provable randomness. However, in practice, the source is a complicated physical system, such as a light source or an atomic ensemble, and any deviations in the real-life implementation from the theoretical model may affect the randomness of the output. To close this gap, we propose a source-independent scheme for quantum random number generation in which output randomness can be certified, even when the source is uncharacterized and untrusted. In our randomness analysis, we make no assumptions about the dimension of the source. For instance, multiphoton emissions are allowed in optical implementations. Our analysis takes into account the finite-key effect with the composable security definition. In the limit of large data size, the length of the input random seed is exponentially small compared to that of the output random bit. In addition, by modifying a quantum key distribution system, we experimentally demonstrate our scheme and achieve a randomness generation rate of over 5×10^{3} bit/s.
Quantum Hurwitz numbers and Macdonald polynomials
Harnad, J.
2016-11-01
Parametric families in the center Z(C[Sn]) of the group algebra of the symmetric group are obtained by identifying the indeterminates in the generating function for Macdonald polynomials as commuting Jucys-Murphy elements. Their eigenvalues provide coefficients in the double Schur function expansion of 2D Toda τ-functions of hypergeometric type. Expressing these in the basis of products of power sum symmetric functions, the coefficients may be interpreted geometrically as parametric families of quantum Hurwitz numbers, enumerating weighted branched coverings of the Riemann sphere. Combinatorially, they give quantum weighted sums over paths in the Cayley graph of Sn generated by transpositions. Dual pairs of bases for the algebra of symmetric functions with respect to the scalar product in which the Macdonald polynomials are orthogonal provide both the geometrical and combinatorial significance of these quantum weighted enumerative invariants.
Quantum random number generator based on quantum tunneling effect
Zhou, Haihan; Li, Junlin; Pan, Dong; Zhang, Weixing; Long, Guilu
2017-01-01
In this paper, we proposed an experimental implementation of quantum random number generator(QRNG) with inherent randomness of quantum tunneling effect of electrons. We exploited InGaAs/InP diodes, whose valance band and conduction band shared a quasi-constant energy barrier. We applied a bias voltage on the InGaAs/InP avalanche diode, which made the diode works under Geiger mode, and triggered the tunneling events with a periodic pulse. Finally, after data collection and post-processing, our...
Absolute vibrational numbering from isotope shifts in fragmentary spectroscopic data
Pashov, A.; Kowalczyk, P.; Jastrzebski, W.
2018-05-01
We discuss application of the isotope effect to establish the absolute vibrational numbering in electronic states of diatomic molecules. This is illustrated by examples of states with potential energy curves of both regular and irregular shape, with one or two potential minima. The minimum number of spectroscopic data (either term values or spectral line positions) necessary to provide a unique numbering is considered. We show that at favourable conditions just four term energies (or spectral lines) in one isotopologue and one term energy in the other suffice.
Nonlinear quantum dynamics in diatomic molecules: Vibration, rotation and spin
International Nuclear Information System (INIS)
Yang, Ciann-Dong; Weng, Hung-Jen
2012-01-01
Highlights: ► This paper reveals the internal nonlinear dynamics embedded in a molecular quantum state. ► Analyze quantum molecular dynamics in a deterministic way, while preserving the consistency with probability interpretation. ► Molecular vibration–rotation interaction and spin–orbital coupling are considered simultaneously. ► Spin is just the remnant angular motion when orbital angular momentum is zero. ► Spin is the “zero dynamics” of nonlinear quantum dynamics. - Abstract: For a given molecular wavefunction Ψ, the probability density function Ψ ∗ Ψ is not the only information that can be extracted from Ψ. We point out in this paper that nonlinear quantum dynamics of a diatomic molecule, completely consistent with the probability prediction of quantum mechanics, does exist and can be derived from the quantum Hamilton equations of motion determined by Ψ. It can be said that the probability density function Ψ ∗ Ψ is an external representation of the quantum state Ψ, while the related Hamilton dynamics is an internal representation of Ψ, which reveals the internal mechanism underlying the externally observed random events. The proposed internal representation of Ψ establishes a bridge between nonlinear dynamics and quantum mechanics, which allows the methods and tools already developed by the former to be applied to the latter. Based on the quantum Hamilton equations of motion derived from Ψ, vibration, rotation and spin motions of a diatomic molecule and the interactions between them can be analyzed simultaneously. The resulting dynamic analysis of molecular motion is compared with the conventional probability analysis and the consistency between them is demonstrated.
True random numbers from amplified quantum vacuum.
Jofre, M; Curty, M; Steinlechner, F; Anzolin, G; Torres, J P; Mitchell, M W; Pruneri, V
2011-10-10
Random numbers are essential for applications ranging from secure communications to numerical simulation and quantitative finance. Algorithms can rapidly produce pseudo-random outcomes, series of numbers that mimic most properties of true random numbers while quantum random number generators (QRNGs) exploit intrinsic quantum randomness to produce true random numbers. Single-photon QRNGs are conceptually simple but produce few random bits per detection. In contrast, vacuum fluctuations are a vast resource for QRNGs: they are broad-band and thus can encode many random bits per second. Direct recording of vacuum fluctuations is possible, but requires shot-noise-limited detectors, at the cost of bandwidth. We demonstrate efficient conversion of vacuum fluctuations to true random bits using optical amplification of vacuum and interferometry. Using commercially-available optical components we demonstrate a QRNG at a bit rate of 1.11 Gbps. The proposed scheme has the potential to be extended to 10 Gbps and even up to 100 Gbps by taking advantage of high speed modulation sources and detectors for optical fiber telecommunication devices.
Computing Hypergraph Ramsey Numbers by Using Quantum Circuit
Qu, Ri; Li, Zong-shang; Wang, Juan; Bao, Yan-ru; Cao, Xiao-chun
2012-01-01
Gaitan and Clark [Phys. Rev. Lett. 108, 010501 (2012)] have recently shown a quantum algorithm for the computation of the Ramsey numbers using adiabatic quantum evolution. We present a quantum algorithm to compute the two-color Ramsey numbers for r-uniform hypergraphs by using the quantum counting circuit.
Stern-Gerlach Experiments and Complex Numbers in Quantum Physics
Sivakumar, S.
2012-01-01
It is often stated that complex numbers are essential in quantum theory. In this article, the need for complex numbers in quantum theory is motivated using the results of tandem Stern-Gerlach experiments
Astronomical random numbers for quantum foundations experiments
Leung, Calvin; Brown, Amy; Nguyen, Hien; Friedman, Andrew S.; Kaiser, David I.; Gallicchio, Jason
2018-04-01
Photons from distant astronomical sources can be used as a classical source of randomness to improve fundamental tests of quantum nonlocality, wave-particle duality, and local realism through Bell's inequality and delayed-choice quantum eraser tests inspired by Wheeler's cosmic-scale Mach-Zehnder interferometer gedanken experiment. Such sources of random numbers may also be useful for information-theoretic applications such as key distribution for quantum cryptography. Building on the design of an astronomical random number generator developed for the recent cosmic Bell experiment [Handsteiner et al. Phys. Rev. Lett. 118, 060401 (2017), 10.1103/PhysRevLett.118.060401], in this paper we report on the design and characterization of a device that, with 20-nanosecond latency, outputs a bit based on whether the wavelength of an incoming photon is greater than or less than ≈700 nm. Using the one-meter telescope at the Jet Propulsion Laboratory Table Mountain Observatory, we generated random bits from astronomical photons in both color channels from 50 stars of varying color and magnitude, and from 12 quasars with redshifts up to z =3.9 . With stars, we achieved bit rates of ˜1 ×106Hz/m 2 , limited by saturation of our single-photon detectors, and with quasars of magnitudes between 12.9 and 16, we achieved rates between ˜102 and 2 ×103Hz /m2 . For bright quasars, the resulting bitstreams exhibit sufficiently low amounts of statistical predictability as quantified by the mutual information. In addition, a sufficiently high fraction of bits generated are of true astronomical origin in order to address both the locality and freedom-of-choice loopholes when used to set the measurement settings in a test of the Bell-CHSH inequality.
Quantum teleportation from light beams to vibrational states of a macroscopic diamond
Hou, P.-Y.; Huang, Y.-Y.; Yuan, X.-X.; Chang, X.-Y.; Zu, C.; He, L.; Duan, L.-M.
2016-01-01
With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Here, building on the recent remarkable progress in optical control of motional states of diamonds, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum process tomography, we demonstrate average teleportation fidelity (90.6±1.0)%, clearly exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for optomechanical quantum control and quantum information science. PMID:27240553
Imaging quantum vibrations on an ultrashort timescale: the deuterium molecular ion
International Nuclear Information System (INIS)
McKenna, J; Calvert, C R; Bryan, W A; English, E M L; Wood, J; Murphy, D S; Turcu, I C E; Smith, J M; Ertel, K G; Chekhlov, O; Divall, E J; McCann, J F; Newell, W R; Williams, I D
2007-01-01
The vibrational wavepacket revival of a basic quantum system is demonstrated experimentally. Using few-cycle laser pulse technology, pump and probe imaging of the vibrational motion of D + 2 molecules is conducted, and together with a quantum-mechanical simulation of the excited wavepacket motion, the vibrational revival phenomenon has been characterised. The simulation shows good correlation with the temporal motion and structural features obtained from the data, relaying fundamental information on this diatomic system
The Shock and Vibration Digest. Volume 15, Number 8
1983-08-01
three revolute clearances is analyzed to illustrate the procedure. STRINGS AND ROPES 83-1574 Longitudinal Vibrations in Violin Strings A.R, Lee and...Strings, Violins , Mutical instruments. Longi- tudinal vibration The observation of longitudinal vibrations In violin strings excited by bowing it...few existing exam - ples is encouraging but inconclusive. Better overall agreement is demonstrated with fairly comprehensive measurements from a
International Nuclear Information System (INIS)
Plattner, Nuria; Meuwly, Markus
2014-01-01
Vibrational frequency shifts of H 2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H 2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H 2 in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H 2 vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H 2 in the 5 12 cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5 12 cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5 12 6 4 cages for which higher occupation numbers than one H 2 per cage are likely
Hierarchies in Quantum Gravity: Large Numbers, Small Numbers, and Axions
Stout, John Eldon
Our knowledge of the physical world is mediated by relatively simple, effective descriptions of complex processes. By their very nature, these effective theories obscure any phenomena outside their finite range of validity, discarding information crucial to understanding the full, quantum gravitational theory. However, we may gain enormous insight into the full theory by understanding how effective theories with extreme characteristics--for example, those which realize large-field inflation or have disparate hierarchies of scales--can be naturally realized in consistent theories of quantum gravity. The work in this dissertation focuses on understanding the quantum gravitational constraints on these "extreme" theories in well-controlled corners of string theory. Axion monodromy provides one mechanism for realizing large-field inflation in quantum gravity. These models spontaneously break an axion's discrete shift symmetry and, assuming that the corrections induced by this breaking remain small throughout the excursion, create a long, quasi-flat direction in field space. This weakly-broken shift symmetry has been used to construct a dynamical solution to the Higgs hierarchy problem, dubbed the "relaxion." We study this relaxion mechanism and show that--without major modifications--it can not be naturally embedded within string theory. In particular, we find corrections to the relaxion potential--due to the ten-dimensional backreaction of monodromy charge--that conflict with naive notions of technical naturalness and render the mechanism ineffective. The super-Planckian field displacements necessary for large-field inflation may also be realized via the collective motion of many aligned axions. However, it is not clear that string theory provides the structures necessary for this to occur. We search for these structures by explicitly constructing the leading order potential for C4 axions and computing the maximum possible field displacement in all compactifications of
Quantum number theoretic transforms on multipartite finite systems.
Vourdas, A; Zhang, S
2009-06-01
A quantum system composed of p-1 subsystems, each of which is described with a p-dimensional Hilbert space (where p is a prime number), is considered. A quantum number theoretic transform on this system, which has properties similar to those of a Fourier transform, is studied. A representation of the Heisenberg-Weyl group in this context is also discussed.
Energy Technology Data Exchange (ETDEWEB)
Schubert, Alexander, E-mail: schubert@irsamc.ups-tlse.fr; Meier, Christoph [Laboratoire Collisions Agrégats et Réactivité, IRSAMC, UMR CNRS 5589, Université Paul Sabatier, 31062 Toulouse (France); Falvo, Cyril [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, 91405 Orsay (France)
2016-08-07
We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the “surfaces” for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking the molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.
The Shock and Vibration Digest. Volume 16, Number 8
1984-08-01
Amplitude Free Vibrations of a Square Plate of Variable Thickne- S.K. Chaudhuri 0 Acharya B.N. Seal College, Cooch - Behar , W. Bengal, 841716 India, J...Dimen- discs having variable thickness and density along their sional Stressed State of the Blades of Gas- radius [194]. Calculation of critical rotating...34 Ph.D. Thesis, Turbine Blade Vibrations," Problemy Proch- Ohio State Univ., DA 8305407 (1982). nosti, 156 (6), pp 71-74 (June 1982) (In Rus- .4 sian
The Shock and Vibration Digest. Volume 12, Number 2,
1980-02-01
Structural Analysis lowest few frequencies are required and are more economical than frequency search methods if band- widths of the matrices are large...1973). Inst. Math. Applic., 22, pp 401.410 (1978). 77. Gupta, K.K., "Numerical Analysis of Free Vibrations of Damped Rotating Structures," 66. Pestel ...the program ,.J.G.S. ¢F1 EDITORS RATTLE SPACE DYNAMIC ANALYSIS AND DESIGN At the 50th Shock and Vibration Symposium in October, Robert Hager presented
Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro
2018-06-01
We theoretically investigate quantum decoherence in electronic currents flowing through metallic carbon nanotubes caused by thermal atomic vibrations using the time-dependent Schrödinger equation for an open system. We reveal that the quantum coherence of conduction electrons decays exponentially with tube length at a fixed temperature, and that the decay rate increases with temperature. We also find that the phase relaxation length due to the thermal atomic vibrations is inversely proportional to temperature.
Sumner, Isaiah; Iyengar, Srinivasan S
2007-10-18
We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.
The Shock and Vibration Digest. Volume 13. Number 2
1981-02-01
Volin - USCrocker, Ray W. Herrick Laboratories, School of Mechanical Engineering, Purdue University, West Dynamic Qualification Testing of F-16...between thear teeth. Natural frequencies, Mode shape, Damping coefficients, Mathematical models The rotor model is designed to find vibration frequencies...linear models which best reproduce the measured re- Key Words: Buildings, Nuclear power plants, Selamic excite- sponse of the structures a determined from
Yu, Hua-Gen; Han, Huixian; Guo, Hua
2016-04-14
Vibrational energy levels of the ammonium cation (NH4(+)) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4(+) and ND4(+) exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. The low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm(-1).
The Shock and Vibration Digest. Volume 14, Number 11
1982-11-01
Fonrulation to Study the Frequency De- peandat Properties of Absorbing Materialls Key Words: Active vibration contro, Oscilltors V.K. Varadan and V.V...Key Words: Bearings, Rolling contact bearings, Simulation, manipulative labor significantly, when compared to the Computr programs application of the...refs Shock in a Hyperelastic Medium S. Pluchino Key Words: Cavities, Fluid-filled containers, Seismic excita- Seminario Matematico , Universita di
The Shock and Vibration Digest, Volume 17, Number 10
1985-10-01
Venkayya, V.B. and Tischler, V.A., 49. Calico , R.A., Jr. and Tnyfault, D.V., "Frequency Control and the Effect on the "Decoupled Large Space Structure...Hurwitz presented. The threshold concept is de- Numerical Structural Mechanics scribed, as are receiver operating charac- Branch (Code 1844 ) teristic...Part Vibration and Dynamics of Off Road Vehi- 2 - Realistic Complex Elements des M. Apetaur I.A. Craighead, P.R. Brown Prague Univ. of Tech
The Shock and Vibration Digest. Volume 15, Number 12
1983-12-01
compari- High-Speed Motion Picture Camera Experinmta of son and were also processed to yield integrated loads and, Cavitation in Dynamically Loaded...cavitation can very well be unstable (vibrating) for the same working conditions where a cavilating bearing is stable. A high-speed camera was used to 83-2435...1766 Nenorta, V .......... 958,1278 M ler, M .............. 2538 Naji, M.R ............... 435 Neubauer , W.G ............ 783 Muller, P
Denoising of Mechanical Vibration Signals Using Quantum-Inspired Adaptive Wavelet Shrinkage
Directory of Open Access Journals (Sweden)
Yan-long Chen
2014-01-01
Full Text Available The potential application of a quantum-inspired adaptive wavelet shrinkage (QAWS technique to mechanical vibration signals with a focus on noise reduction is studied in this paper. This quantum-inspired shrinkage algorithm combines three elements: an adaptive non-Gaussian statistical model of dual-tree complex wavelet transform (DTCWT coefficients proposed to improve practicability of prior information, the quantum superposition introduced to describe the interscale dependencies of DTCWT coefficients, and the quantum-inspired probability of noise defined to shrink wavelet coefficients in a Bayesian framework. By combining all these elements, this signal processing scheme incorporating the DTCWT with quantum theory can both reduce noise and preserve signal details. A practical vibration signal measured from a power-shift steering transmission is utilized to evaluate the denoising ability of QAWS. Application results demonstrate the effectiveness of the proposed method. Moreover, it achieves better performance than hard and soft thresholding.
Rabi-vibronic resonance with large number of vibrational quanta
Glenn, R.; Raikh, M. E.
2011-01-01
We study theoretically the Rabi oscillations of a resonantly driven two-level system linearly coupled to a harmonic oscillator (vibrational mode) with frequency, \\omega_0. We show that for weak coupling, \\omega_p \\ll \\omega_0, where \\omega_p is the polaronic shift, Rabi oscillations are strongly modified in the vicinity of the Rabi-vibronic resonance \\Omega_R = \\omega_0, where \\Omega_R is the Rabi frequency. The width of the resonance is (\\Omega_R-\\omega_0) \\sim \\omega_p^{2/3} \\omega_0^{1/3} ...
The Shock and Vibration Digest. Volume 17. Number 6
1985-06-01
examined during the Rotational Ratio Response Analysis of development of a vacuum pump with flow Flexible Rotor Vibrating System rate 630 cum/ hr . A...College Universiti Teknologi Malaysia , Jalan Gur- Station, TX, May 28-30, 1984, NASA Conf. ney, Juala Lumpur, Malaysia 56 . .**. .. C- i- "’ 2 k t.t "? 2...Spring Support and a Lumped Dcll’Assoc. Ital. Per P’Anal. Delle Solleci- Mass) tazioni, Cosenza, Italy, pp 22-25 (Sept Y. Sugiyama 1982), N84-27731 (In
The Shock and Vibration Digest. Volume 13, Number 3
1981-03-01
Matehal Structural ElemenU with Material Damping M.M. Wallace and C.W. Bert The Univ. of Oklahoma, Norman , OK, Shock Vib. Bull., U.S. Naval Res...Vibration Kxtremal Control Strategy D.O. Smallwood and D.L. Gregory Sandid Labs., Albuquerque, NM, Shock Vib. Bull., U.S. Ndvdl Res. Lab.. Proc., No...Smailey.AJ 656,700 Smallwood , D.0 683 Smith, D.R 517 Smith, I.M 655 Smith, S 534 Smith,! 622 Smolka.S.A 714 Solo.V 711 Sonnonburg, P.N 576
Identifying jet quantum numbers event by event
International Nuclear Information System (INIS)
Teper, M.J.
1979-12-01
A method is proposed to identify the parton that gives rise to any particular jet. The method improves with the number of particles in the jet, and should indicate which of the jets in a three jet event at PETRA is the gluon jet. (author)
Stabilization of atoms with nonzero magnetic quantum numbers
International Nuclear Information System (INIS)
Sundaram, B.; Jensen, R.V.
1993-01-01
A classical analysis of the interaction of an atomic electron with an oscillating electric field with arbitrary initial quantum number, n, magnetic quantum number, m > 0, field strength, and frequency shows that the classical, dynamics for the perturbed electron can be stabilized for large fields and high frequencies. Using a four-dimensional map approximation to the classical dynamics, explicit expressions are obtained for the full parameter dependence of the boundaries of stability surrounding the open-quotes death valleyclose quotes of rapid classical ionization. A preliminary analysis of the quantum dynamics in terms of the quasienergy states associated with the corresponding quantum map is also included with particular emphasis on the role of unstable classical structures in stabilizing atoms. Together, these results provide motivation and direction for further theoretical and experimental studies of stabilization of atoms (and molecules) in super-intense microwave and laser fields
Algebraic quantization, good operators and fractional quantum numbers
International Nuclear Information System (INIS)
Aldaya, V.; Calixto, M.; Guerrero, J.
1996-01-01
The problems arising when quantizing systems with periodic boundary conditions are analysed, in an algebraic (group-) quantization scheme, and the failure of the Ehrenfest theorem is clarified in terms of the already defined notion of good (and bad) operators. The analysis of constrained Heisenberg-Weyl groups according to this quantization scheme reveals the possibility for quantum operators without classical analogue and for new quantum (fractional) numbers extending those allowed for Chern classes in traditional Geometric Quantization. This study is illustrated with the examples of the free particle on the circumference and the charged particle in a homogeneous magnetic field on the torus, both examples featuring anomalous operators, non-equivalent quantization and the latter, fractional quantum numbers. These provide the rationale behind flux quantization in superconducting rings and Fractional Quantum Hall Effect, respectively. (orig.)
Thermal vibration of a rectangular single-layered graphene sheet with quantum effects
International Nuclear Information System (INIS)
Wang, Lifeng; Hu, Haiyan
2014-01-01
The thermal vibration of a rectangular single-layered graphene sheet is investigated by using a rectangular nonlocal elastic plate model with quantum effects taken into account when the law of energy equipartition is unreliable. The relation between the temperature and the Root of Mean Squared (RMS) amplitude of vibration at any point of the rectangular single-layered graphene sheet in simply supported case is derived first from the rectangular nonlocal elastic plate model with the strain gradient of the second order taken into consideration so as to characterize the effect of microstructure of the graphene sheet. Then, the RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet simply supported on an elastic foundation is derived. The study shows that the RMS amplitude of the rectangular single-layered graphene sheet predicted from the quantum theory is lower than that predicted from the law of energy equipartition. The maximal relative difference of RMS amplitude of thermal vibration appears at the sheet corners. The microstructure of the graphene sheet has a little effect on the thermal vibrations of lower modes, but exhibits an obvious effect on the thermal vibrations of higher modes. The quantum effect is more important for the thermal vibration of higher modes in the case of smaller sides and lower temperature. The relative difference of maximal RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet decreases monotonically with an increase of temperature. The absolute difference of maximal RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet increases slowly with the rising of Winkler foundation modulus.
International Nuclear Information System (INIS)
George, S.M.; Harris, C.B.
1982-01-01
The dependence of inhomogeneous vibrational linewidth broadening on attractive forces form slowly varying local liquid number densities is examined. The recently developed Schweizer--Chandler theory of vibrational dephasing is used to compute absolute inhomogeneous broadening linewidths. The computed linewidths are compared to measured inhomogeneous broadening linewidths determined using picosecond vibrational dephasing experiments. There is a similarity between correlations of the Schweizer--Chandler and George--Auweter--Harris predicted inhomogeneous broadening linewidths and the measured inhomogeneous broadening linewidths. For the methyl stretches under investigation, this correspondence suggests that the width of the number density distribution in the liquid determines the relative inhomogeneous broadening magnitudes
Towards a high-speed quantum random number generator
Stucki, Damien; Burri, Samuel; Charbon, Edoardo; Chunnilall, Christopher; Meneghetti, Alessio; Regazzoni, Francesco
2013-10-01
Randomness is of fundamental importance in various fields, such as cryptography, numerical simulations, or the gaming industry. Quantum physics, which is fundamentally probabilistic, is the best option for a physical random number generator. In this article, we will present the work carried out in various projects in the context of the development of a commercial and certified high speed random number generator.
Quantum random number generation for loophole-free Bell tests
Mitchell, Morgan; Abellan, Carlos; Amaya, Waldimar
2015-05-01
We describe the generation of quantum random numbers at multi-Gbps rates, combined with real-time randomness extraction, to give very high purity random numbers based on quantum events at most tens of ns in the past. The system satisfies the stringent requirements of quantum non-locality tests that aim to close the timing loophole. We describe the generation mechanism using spontaneous-emission-driven phase diffusion in a semiconductor laser, digitization, and extraction by parity calculation using multi-GHz logic chips. We pay special attention to experimental proof of the quality of the random numbers and analysis of the randomness extraction. In contrast to widely-used models of randomness generators in the computer science literature, we argue that randomness generation by spontaneous emission can be extracted from a single source.
Pseudo random number generator based on quantum chaotic map
Akhshani, A.; Akhavan, A.; Mobaraki, A.; Lim, S.-C.; Hassan, Z.
2014-01-01
For many years dissipative quantum maps were widely used as informative models of quantum chaos. In this paper, a new scheme for generating good pseudo-random numbers (PRNG), based on quantum logistic map is proposed. Note that the PRNG merely relies on the equations used in the quantum chaotic map. The algorithm is not complex, which does not impose high requirement on computer hardware and thus computation speed is fast. In order to face the challenge of using the proposed PRNG in quantum cryptography and other practical applications, the proposed PRNG is subjected to statistical tests using well-known test suites such as NIST, DIEHARD, ENT and TestU01. The results of the statistical tests were promising, as the proposed PRNG successfully passed all these tests. Moreover, the degree of non-periodicity of the chaotic sequences of the quantum map is investigated through the Scale index technique. The obtained result shows that, the sequence is more non-periodic. From these results it can be concluded that, the new scheme can generate a high percentage of usable pseudo-random numbers for simulation and other applications in scientific computing.
Extracting random numbers from quantum tunnelling through a single diode.
Bernardo-Gavito, Ramón; Bagci, Ibrahim Ethem; Roberts, Jonathan; Sexton, James; Astbury, Benjamin; Shokeir, Hamzah; McGrath, Thomas; Noori, Yasir J; Woodhead, Christopher S; Missous, Mohamed; Roedig, Utz; Young, Robert J
2017-12-19
Random number generation is crucial in many aspects of everyday life, as online security and privacy depend ultimately on the quality of random numbers. Many current implementations are based on pseudo-random number generators, but information security requires true random numbers for sensitive applications like key generation in banking, defence or even social media. True random number generators are systems whose outputs cannot be determined, even if their internal structure and response history are known. Sources of quantum noise are thus ideal for this application due to their intrinsic uncertainty. In this work, we propose using resonant tunnelling diodes as practical true random number generators based on a quantum mechanical effect. The output of the proposed devices can be directly used as a random stream of bits or can be further distilled using randomness extraction algorithms, depending on the application.
Quantum localization and protein-assisted vibrational energy flow in cofactors
International Nuclear Information System (INIS)
Leitner, David M
2010-01-01
Quantum effects influence vibrational dynamics and energy flow in biomolecules, which play a central role in biomolecule function, including control of reaction kinetics. Lifetimes of many vibrational modes of proteins and their temperature dependence, as determined by quantum golden-rule-based calculations, exhibit trends consistent with experimental observation and distinct from estimates based on classical modeling. Particularly notable are quantum coherence effects that give rise to localization of vibrational states of sizable organic molecules in the gas phase. Even when such a molecule, for instance a cofactor, is embedded in a protein, remnants of quantum localization survive that influence vibrational energy flow and its dependence on temperature. We discuss these effects on the mode-damping rates of a cofactor embedded in a protein, using the green fluorescent protein chromophore as a specific example. We find that for cofactors of this size embedded in their protein and solvent environment at room temperature a golden-rule calculation often overestimates the mode-damping rate.
Engineering Vibrationally Assisted Energy Transfer in a Trapped-Ion Quantum Simulator
Gorman, Dylan J.; Hemmerling, Boerge; Megidish, Eli; Moeller, Soenke A.; Schindler, Philipp; Sarovar, Mohan; Haeffner, Hartmut
2018-01-01
Many important chemical and biochemical processes in the condensed phase are notoriously difficult to simulate numerically. Often, this difficulty arises from the complexity of simulating dynamics resulting from coupling to structured, mesoscopic baths, for which no separation of time scales exists and statistical treatments fail. A prime example of such a process is vibrationally assisted charge or energy transfer. A quantum simulator, capable of implementing a realistic model of the system of interest, could provide insight into these processes in regimes where numerical treatments fail. We take a first step towards modeling such transfer processes using an ion-trap quantum simulator. By implementing a minimal model, we observe vibrationally assisted energy transport between the electronic states of a donor and an acceptor ion augmented by coupling the donor ion to its vibration. We tune our simulator into several parameter regimes and, in particular, investigate the transfer dynamics in the nonperturbative regime often found in biochemical situations.
Photon-number correlation for quantum enhanced imaging and sensing
Meda, A.; Losero, E.; Samantaray, N.; Scafirimuto, F.; Pradyumna, S.; Avella, A.; Ruo-Berchera, I.; Genovese, M.
2017-09-01
In this review we present the potentialities and the achievements of the use of non-classical photon-number correlations in twin-beam states for many applications, ranging from imaging to metrology. Photon-number correlations in the quantum regime are easily produced and are rather robust against unavoidable experimental losses, and noise in some cases, if compared to the entanglement, where losing one photon can completely compromise the state and its exploitable advantages. Here, we will focus on quantum enhanced protocols in which only phase-insensitive intensity measurements (photon-number counting) are performed, which allow probing the transmission/absorption properties of a system, leading, for example, to innovative target detection schemes in a strong background. In this framework, one of the advantages is that the sources experimentally available emit a wide number of pair-wise correlated modes, which can be intercepted and exploited separately, for example by many pixels of a camera, providing a parallelism, essential in several applications, such as wide-field sub-shot-noise imaging and quantum enhanced ghost imaging. Finally, non-classical correlation enables new possibilities in quantum radiometry, e.g. the possibility of absolute calibration of a spatial resolving detector from the on-off single-photon regime to the linear regime in the same setup.
Anomalous quantum numbers and topological properties of field theories
International Nuclear Information System (INIS)
Polychronakos, A.P.
1987-01-01
We examine the connection between anomalous quantum numbers, symmetry breaking patterns and topological properties of some field theories. The main results are the following: In three dimensions the vacuum in the presence of abelian magnetic field configurations behaves like a superconductor. Its quantum numbers are exactly calculable and are connected with the Atiyah-Patodi-Singer index theorem. Boundary conditions, however, play a nontrivial role in this case. Local conditions were found to be physically preferable than the usual global ones. Due to topological reasons, only theories for which the gauge invariant photon mass in three dimensions obeys a quantization condition can support states of nonzero magnetic flux. For similar reasons, this mass induces anomalous angular momentum quantum numbers to the states of the theory. Parity invariance and global flavor symmetry were shown to be incompatible in such theories. In the presence of mass less flavored fermions, parity will always break for an odd number of fermion flavors, while for even fermion flavors it may not break but only at the expense of maximally breaking the flavor symmetry. Finally, a connection between these theories and the quantum Hall effect was indicated
The Shock and Vibration Digest. Volume 18, Number 4
1986-04-01
the aseismic foundation The Malaysian Rubber Producers’ Research system is shown to offer a number of advantages Association, Hertford, England over... Cinema - tographic Society; National Environmental 22-25 World Cogaress an Compuatiunal Protection Authority of Hungary] Szeged, Hun- Mechanics
International Nuclear Information System (INIS)
Tyapkin, A.A.
1976-01-01
The problem is raised on the interpretation of quarks having fractional quantum numbers as structural quasi-particles. A new composite model is proposed on the basis of the fundamental triplet representation of fermions having integral quantum numbers
Quantum control of vibrational excitations in a heteronuclear ...
Indian Academy of Sciences (India)
WINTEC
Optimal control theory is applied to obtain infrared laser pulses for selective vibrational exci- tation in a ... introduced in the field prior to evaluation of the cost functional for better field shape. Conjugate ... focused greater attention on optimal control of quan- tum states ... from the ground state to the first excited state in a.
The quantum mechanical potential for the prime numbers
International Nuclear Information System (INIS)
Mussardo, G.
1997-12-01
A simple criterion is derived in order that a number sequence S n is a permitted spectrum of a quantized system. The sequence of the prime numbers fulfills the criterion and the corresponding one-dimensional quantum potential is explicitly computed in a semi-classical approximation. The existence of such a potential implies that the primality testing can in principle be resolved by the sole use of physical laws. (author)
Conservation of topological quantum numbers in energy bands
International Nuclear Information System (INIS)
Chang, L.N.; Liang, Y.
1988-01-01
Quantum systems described by parametrized Hamiltinians are studied in a general context. Within this context, the classification scheme of Avron-Seiler-Simon for non-degenerate energy bands is extended to cover general parameter spaces, whole their sum rule is generalized to cover cases with degenerate bands as well. Additive topological quantum numbers are defined, and these are shown to be conserved in energy band ''collisions''. The conservation laws dictate that when some invariants are non-vanishing, no energy gap can develop in a set of degenerate bands. This gives rise to a series of splitting rules
Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele
2014-11-14
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.
Quantization and Quantum-Like Phenomena: A Number Amplitude Approach
Robinson, T. R.; Haven, E.
2015-12-01
Historically, quantization has meant turning the dynamical variables of classical mechanics that are represented by numbers into their corresponding operators. Thus the relationships between classical variables determine the relationships between the corresponding quantum mechanical operators. Here, we take a radically different approach to this conventional quantization procedure. Our approach does not rely on any relations based on classical Hamiltonian or Lagrangian mechanics nor on any canonical quantization relations, nor even on any preconceptions of particle trajectories in space and time. Instead we examine the symmetry properties of certain Hermitian operators with respect to phase changes. This introduces harmonic operators that can be identified with a variety of cyclic systems, from clocks to quantum fields. These operators are shown to have the characteristics of creation and annihilation operators that constitute the primitive fields of quantum field theory. Such an approach not only allows us to recover the Hamiltonian equations of classical mechanics and the Schrödinger wave equation from the fundamental quantization relations, but also, by freeing the quantum formalism from any physical connotation, makes it more directly applicable to non-physical, so-called quantum-like systems. Over the past decade or so, there has been a rapid growth of interest in such applications. These include, the use of the Schrödinger equation in finance, second quantization and the number operator in social interactions, population dynamics and financial trading, and quantum probability models in cognitive processes and decision-making. In this paper we try to look beyond physical analogies to provide a foundational underpinning of such applications.
Strouhal number effect on synchronized vibration range of a circular cylinder in cross flow
International Nuclear Information System (INIS)
Kawamura, T.; Nakao, T.; Hayashi, M.; Murayama, K.
2001-01-01
Synchronized vibrations were measured for a circular cylinder subjected to a water cross flow in the subcritical Reynolds numbers in order to compare the synchronized vibration range between the subcritical and supercritical regions and clarify the effect of the Strouhal number on it. A small peak vibration in the lift direction was found when the Karman vortex shedding frequency was about 1/5 of the cylinder natural frequency in only the subcritical region. The ratio of the Karman vortex frequency to the natural frequency where the self-excited vibration in the drag direction by the symmetrical vortices began was about 1/4 in the subcritical region, and increased to 0,32 at the Strouhal number of 0,29 in the supercritical region. The frequency ratio at the beginning of the lock-in vibration in the drag direction by the Karman vortex was about 1/2, and that in the lift direction decreased from 1 to about 0,8 with decreasing Strouhal number. (author)
Quantum algebraic description of vibrational and transitional nuclear spectra
International Nuclear Information System (INIS)
Raychev, P.P.; Roussev, R.P.; Inrne, D.
1995-01-01
A physically motivated extension of the SU q (2) model of rotational nuclear spectra is introduced, which is applicable in the vibrational and transitional regions as well. The deformation parameter is related to the centrifugal stretching effect, while the new parameter c allows the spectrum to be an expansion in terms of J(J+c) instead of J(J+1), thus describing nuclear anharmonicities in a way similar to the Interacting Boson Model and the Generalized Variable Moment of Inertia model
Vibrational spectroscopic studies of Isoleucine by quantum chemical calculations.
Moorthi, P P; Gunasekaran, S; Ramkumaar, G R
2014-04-24
In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of Isoleucine (2-Amino-3-methylpentanoic acid). The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments, thermodynamics properties, NBO analyses, NMR chemical shifts and ultraviolet-visible spectral interpretation of Isoleucine have been studied by performing MP2 and DFT/cc-pVDZ level of theory. The FTIR, FT-Raman spectra were recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1) respectively. The UV-visible absorption spectra of the compound were recorded in the range of 200-800 nm. Computational calculations at MP2 and B3LYP level with basis set of cc-pVDZ is employed in complete assignments of Isoleucine molecule on the basis of the potential energy distribution (PED) of the vibrational modes, calculated using VEDA-4 program. The calculated wavenumbers are compared with the experimental values. The difference between the observed and calculated wavenumber values of most of the fundamentals is very small. (13)C and (1)H nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method and compared with experimental results. The formation of hydrogen bond was investigated in terms of the charge density by the NBO calculations. Based on the UV spectra and TD-DFT calculations, the electronic structure and the assignments of the absorption bands were carried out. Besides, molecular electrostatic potential (MEP) were investigated using theoretical calculations. Copyright © 2014 Elsevier B.V. All rights reserved.
Quantum random number generator based on quantum nature of vacuum fluctuations
Ivanova, A. E.; Chivilikhin, S. A.; Gleim, A. V.
2017-11-01
Quantum random number generator (QRNG) allows obtaining true random bit sequences. In QRNG based on quantum nature of vacuum, optical beam splitter with two inputs and two outputs is normally used. We compare mathematical descriptions of spatial beam splitter and fiber Y-splitter in the quantum model for QRNG, based on homodyne detection. These descriptions were identical, that allows to use fiber Y-splitters in practical QRNG schemes, simplifying the setup. Also we receive relations between the input radiation and the resulting differential current in homodyne detector. We experimentally demonstrate possibility of true random bits generation by using QRNG based on homodyne detection with Y-splitter.
Monte Carlo study of quantum number retention in hadron jets
International Nuclear Information System (INIS)
Hayward, S.K.; Weiss, N.
1992-01-01
We present a Monte Carlo study in which we used weighted quantum numbers of hadron jets in an attempt to identify the parent parton of these jets. Two-jet events produced by e + e- annihilation were studied using the Lund Monte Carlo program. It was found that the sign of the charge of the leading parton could be determined in a majority of events and that the quark jet could be distinguished from the antiquark jet in a majority of events containing baryons. A careful selection of a subset of the events by making cuts on the value of these weighted quantum numbers increased significantly the accuracy with which both the charge and the baryon number of the leading parton could be determined. Some success was also made in differentiating light-quark from heavy-quark events and in determining the leading quark flavor in the light-quark events. Unfortunately quantum number retention does not differentiate gluon jets from quark jets. The consequences of this for three-jet events and for jet identification in other reactions is discussed
Ballmann, Stefan; Härtle, Rainer; Coto, Pedro B.; Elbing, Mark; Mayor, Marcel; Bryce, Martin R.; Thoss, Michael; Weber, Heiko B.
2012-08-01
We analyze quantum interference and decoherence effects in single-molecule junctions both experimentally and theoretically by means of the mechanically controlled break junction technique and density-functional theory. We consider the case where interference is provided by overlapping quasidegenerate states. Decoherence mechanisms arising from electronic-vibrational coupling strongly affect the electrical current flowing through a single-molecule contact and can be controlled by temperature variation. Our findings underline the universal relevance of vibrations for understanding charge transport through molecular junctions.
Negative values of quasidistributions and quantum wave and number statistics
Peřina, J.; Křepelka, J.
2018-04-01
We consider nonclassical wave and number quantum statistics, and perform a decomposition of quasidistributions for nonlinear optical down-conversion processes using Bessel functions. We show that negative values of the quasidistribution do not directly represent probabilities; however, they directly influence measurable number statistics. Negative terms in the decomposition related to the nonclassical behavior with negative amplitudes of probability can be interpreted as positive amplitudes of probability in the negative orthogonal Bessel basis, whereas positive amplitudes of probability in the positive basis describe classical cases. However, probabilities are positive in all cases, including negative values of quasidistributions. Negative and positive contributions of decompositions to quasidistributions are estimated. The approach can be adapted to quantum coherence functions.
Chaos in nuclei and the K quantum number
International Nuclear Information System (INIS)
Rekstad, J.; Tveter, T.S.; Guttormsen, M.
1990-06-01
The intensities of gamma transitions from neutron-resonance states in 168 Er and 178 Hf to low-lying states with spin 2 - 5 are shown to depend on the K-values of the final states. This K-dependence favours a conclusion that also the resonance states can be associated with good K quantum numbers. The result contradicts the hypotesis that K is completely mixed in this energy region as expected for a chaotic structure. 7 refs., 2 figs
BROADENING OF BALMER LINES FOR HIGH QUANTUM NUMBER
Energy Technology Data Exchange (ETDEWEB)
Armstrong, B. H.
1963-10-15
It is shown that the impact theory breakdown at sufficiently large distances from the line center in effect lowers the principle quantum number at which electron broadening might otherwise be assumed to dominate. Since the impact theory breaks down and effectively the impact widths decrease progressively for the line components more distant from the center, the contributions of the components to the folding integral decrease rapidly except at their own positions. (R.E.U.)
The Shock and Vibration Digest, Volume 4, Number 5, May 1972.
1972-05-01
order dif- FLUID SLOSH DAMPERS ferential equation of at 1 e as t two degrees of Sayar, B.A. (Georgia Inst. Tech.) (1971) freedom) a quantum modelof...ENGINE ROTORS symmetric and asymmetric, and to excitation Levit , M.E. and Roizman, V.P. by means of a vibrator (shake table). It is con- Air Force...Diesel engines for commercial vehicles. 40 AUTHOR INDEX Abhat, O.G.B .............. 766 Levit , M.E .................. 888 Thornley, A.R.1) ............ 833
DEFF Research Database (Denmark)
Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel
2011-01-01
Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...
Quantum random-number generator based on a photon-number-resolving detector
International Nuclear Information System (INIS)
Ren Min; Wu, E; Liang Yan; Jian Yi; Wu Guang; Zeng Heping
2011-01-01
We demonstrated a high-efficiency quantum random number generator which takes inherent advantage of the photon number distribution randomness of a coherent light source. This scheme was realized by comparing the photon flux of consecutive pulses with a photon number resolving detector. The random bit generation rate could reach 2.4 MHz with a system clock of 6.0 MHz, corresponding to a random bit generation efficiency as high as 40%. The random number files passed all the stringent statistical tests.
Anisotropic Formation of Quantum Turbulence Generated by a Vibrating Wire in Superfluid {}4{He}
Yano, H.; Ogawa, K.; Chiba, Y.; Obara, K.; Ishikawa, O.
2017-06-01
To investigate the formation of quantum turbulence in superfluid {}4{He}, we have studied the emission of vortex rings with a ring size of larger than 38 μm in diameter from turbulence generated by a vibrating wire. The emission rate of vortex rings from a turbulent region remains low until the beginning of high-rate emissions, suggesting that some of the vortex lines produced by the wire combine to form a vortex tangle, until an equilibrium is established between the rate of vortex line combination with the tangle and dissociation. The formation times of equilibrium turbulence are proportional to ɛ ^{-1.2} and ɛ ^{-0.6} in the directions perpendicular and parallel to the vibrating direction of the generator, respectively, indicating the anisotropic formation of turbulence. Here, ɛ is the generation power of the turbulence. This power dependence may be associated with the characteristics of quantum turbulence with a constant energy flux.
Quantum statistical vibrational entropy and enthalpy of formation of helium-vacancy complex in BCC W
Energy Technology Data Exchange (ETDEWEB)
Wen, Haohua [Sino-French Institute of Nuclear Engineering and Technology, Sun Yat-Sen University, 519082, Zhuhai (China); Woo, C.H., E-mail: chung.woo@polyu.edu.hk [ME Department, The Hong Kong Polytechnic University, Hong Kong SAR (China)
2016-12-15
High-temperature advance-reactor design and operation require knowledge of in-reactor materials properties far from the thermal ground state. Temperature-dependence due to the effects of lattice vibrations is important to the understanding and formulation of atomic processes involved in irradiation-damage accumulation. In this paper, we concentrate on the formation of He-V complex. The free-energy change in this regard is derived via thermodynamic integration from the phase-space trajectories generated from MD simulations based on the quantum fluctuation-dissipation relation. The change of frequency distribution of vibration modes during the complex formation is properly accounted for, and the corresponding entropy change avoids the classical ln(T) divergence that violates the third law. The vibrational enthalpy and entropy of formation calculated this way have significant effects on the He kinetics during irradiation.
DEFF Research Database (Denmark)
List, Nanna Holmgaard; Beerepoot, Maarten; Olsen, Jógvan Magnus Haugaard
2015-01-01
for the quantum region, covering (multiconfigurational) self-consistent-field and Kohn–Sham density functional theory. As the first application of the implementation, we consider the internal vibrational Stark effect of the C=O group of acetophenone in different solvents and derive its vibrational linear Stark...
A hybrid-type quantum random number generator
Hai-Qiang, Ma; Wu, Zhu; Ke-Jin, Wei; Rui-Xue, Li; Hong-Wei, Liu
2016-05-01
This paper proposes a well-performing hybrid-type truly quantum random number generator based on the time interval between two independent single-photon detection signals, which is practical and intuitive, and generates the initial random number sources from a combination of multiple existing random number sources. A time-to-amplitude converter and multichannel analyzer are used for qualitative analysis to demonstrate that each and every step is random. Furthermore, a carefully designed data acquisition system is used to obtain a high-quality random sequence. Our scheme is simple and proves that the random number bit rate can be dramatically increased to satisfy practical requirements. Project supported by the National Natural Science Foundation of China (Grant Nos. 61178010 and 11374042), the Fund of State Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), China, and the Fundamental Research Funds for the Central Universities of China (Grant No. bupt2014TS01).
International Nuclear Information System (INIS)
Schatz, G.C.; Kuppermann, A.
1980-01-01
We study vibrational deactivation processes on chemically reactive potential energy surfaces by examining accurate quantum mechanical transition probabilities and rate constants for the collinear H + FH(v), D + FD(v), H + FD(v), and D + FH(v) reactions. A low barrier (1.7 kcal/mole) potential surface is used in these calculations, and we find that for all four reactions, the reactive inelastic rate constants are larger than the nonreactive ones for the same initial and final vibrational states. However, the ratios of these reactive and nonreactive rate constants depend strongly on the vibrational quantum number v and the isotopic composition of the reagents. Nonreactive and reactive transition probabilities for multiquantum jump transitions are generally comparable to those for single quantum transitions. This vibrationally nonadiabatic behavior is a direct consequence of the severe distortion of the diatomic that occurs in a collision on a low barrier reactive surface, and can make chemically reactive atoms like H or D more efficient deactivators of HF or DF than nonreactive collision partners. Many conclusions are in at least qualitative agreement with those of Wilkin's three dimensional quasiclassical trajectory study on the same systems using a similar surface. We also present results for H + HF(v) collisions which show that for a higher barrier potential surface (33 rather than 1.7 kcal/mole), the deactivation process becomes similar in character to that for nonreactive partners, with v→v-1 processes dominating
Natural occupation numbers in two-electron quantum rings.
Tognetti, Vincent; Loos, Pierre-François
2016-02-07
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.
Determination of the $X(3872)$ meson quantum numbers
Aaij, R; Adeva, B; Adinolfi, M; Adrover, C; Affolder, A; Ajaltouni, Z; Albrecht, J; Alessio, F; Alexander, M; Ali, S; Alkhazov, G; Alvarez Cartelle, P; Alves Jr, A A; Amato, S; Amerio, S; Amhis, Y; Anderlini, L; Anderson, J; Andreassen, R; Appleby, R B; Aquines Gutierrez, O; Archilli, F; Artamonov, A; Artuso, M; Aslanides, E; Auriemma, G; Bachmann, S; Back, J J; Baesso, C; Balagura, V; Baldini, W; Barlow, R J; Barschel, C; Barsuk, S; Barter, W; Bauer, Th; Bay, A; Beddow, J; Bedeschi, F; Bediaga, I; Belogurov, S; Belous, K; Belyaev, I; Ben-Haim, E; Benayoun, M; Bencivenni, G; Benson, S; Benton, J; Berezhnoy, A; Bernet, R; Bettler, M -O; van Beuzekom, M; Bien, A; Bifani, S; Bird, T; Bizzeti, A; Bjørnstad, P M; Blake, T; Blanc, F; Blouw, J; Blusk, S; Bocci, V; Bondar, A; Bondar, N; Bonivento, W; Borghi, S; Borgia, A; Bowcock, T J V; Bowen, E; Bozzi, C; Brambach, T; van den Brand, J; Bressieux, J; Brett, D; Britsch, M; Britton, T; Brook, N H; Brown, H; Burducea, I; Bursche, A; Busetto, G; Buytaert, J; Cadeddu, S; Callot, O; Calvi, M; Calvo Gomez, M; Camboni, A; Campana, P; Carbone, A; Carboni, G; Cardinale, R; Cardini, A; Carranza-Mejia, H; Carson, L; Carvalho Akiba, K; Casse, G; Cattaneo, M; Cauet, Ch; Charles, M; Charpentier, Ph; Chen, P; Chiapolini, N; Chrzaszcz, M; Ciba, K; Cid Vidal, X; Ciezarek, G; Clarke, P E L; Clemencic, M; Cliff, H V; Closier, J; Coca, C; Coco, V; Cogan, J; Cogneras, E; Collins, P; Comerma-Montells, A; Contu, A; Cook, A; Coombes, M; Coquereau, S; Corti, G; Couturier, B; Cowan, G A; Craik, D; Cunliffe, S; Currie, R; D'Ambrosio, C; David, P; David, P N Y; De Bonis, I; De Bruyn, K; De Capua, S; De Cian, M; De Miranda, J M; De Oyanguren Campos, M; De Paula, L; De Silva, W; De Simone, P; Decamp, D; Deckenhoff, M; Del Buono, L; Derkach, D; Deschamps, O; Dettori, F; Di Canto, A; Dijkstra, H; Dogaru, M; Donleavy, S; Dordei, F; Dosil Suárez, A; Dossett, D; Dovbnya, A; Dupertuis, F; Dzhelyadin, R; Dziurda, A; Dzyuba, A; Easo, S; Egede, U; Egorychev, V; Eidelman, S; van Eijk, D; Eisenhardt, S; Eitschberger, U; Ekelhof, R; Eklund, L; El Rifai, I; Elsasser, Ch; Elsby, D; Falabella, A; Färber, C; Fardell, G; Farinelli, C; Farry, S; Fave, V; Ferguson, D; Fernandez Albor, V; Ferreira Rodrigues, F; Ferro-Luzzi, M; Filippov, S; Fitzpatrick, C; Fontana, M; Fontanelli, F; Forty, R; Francisco, O; Frank, M; Frei, C; Frosini, M; Furcas, S; Furfaro, E; Gallas Torreira, A; Galli, D; Gandelman, M; Gandini, P; Gao, Y; Garofoli, J; Garosi, P; Garra Tico, J; Garrido, L; Gaspar, C; Gauld, R; Gersabeck, E; Gersabeck, M; Gershon, T; Ghez, Ph; Gibson, V; Gligorov, V V; Göbel, C; Golubkov, D; Golutvin, A; Gomes, A; Gordon, H; Grabalosa Gándara, M; Graciani Diaz, R; Granado Cardoso, L A; Graugés, E; Graziani, G; Grecu, A; Greening, E; Gregson, S; Grünberg, O; Gui, B; Gushchin, E; Guz, Yu; Gys, T; Hadjivasiliou, C; Haefeli, G; Haen, C; Haines, S C; Hall, S; Hampson, T; Hansmann-Menzemer, S; Harnew, N; Harnew, S T; Harrison, J; Hartmann, T; He, J; Heijne, V; Hennessy, K; Henrard, P; Hernando Morata, J A; van Herwijnen, E; Hicks, E; Hill, D; Hoballah, M; Hombach, C; Hopchev, P; Hulsbergen, W; Hunt, P; Huse, T; Hussain, N; Hutchcroft, D; Hynds, D; Iakovenko, V; Idzik, M; Ilten, P; Jacobsson, R; Jaeger, A; Jans, E; Jaton, P; Jing, F; John, M; Johnson, D; Jones, C R; Jost, B; Kaballo, M; Kandybei, S; Karacson, M; Karbach, T M; Kenyon, I R; Kerzel, U; Ketel, T; Keune, A; Khanji, B; Kochebina, O; Komarov, I; Koopman, R F; Koppenburg, P; Korolev, M; Kozlinskiy, A; Kravchuk, L; Kreplin, K; Kreps, M; Krocker, G; Krokovny, P; Kruse, F; Kucharczyk, M; Kudryavtsev, V; Kvaratskheliya, T; La Thi, V N; Lacarrere, D; Lafferty, G; Lai, A; Lambert, D; Lambert, R W; Lanciotti, E; Lanfranchi, G; Langenbruch, C; Latham, T; Lazzeroni, C; Le Gac, R; van Leerdam, J; Lees, J -P; Lefèvre, R; Leflat, A; Lefrançois, J; Leo, S; Leroy, O; Leverington, B; Li, Y; Li Gioi, L; Liles, M; Lindner, R; Linn, C; Liu, B; Liu, G; von Loeben, J; Lohn, S; Lopes, J H; Lopez Asamar, E; Lopez-March, N; Lu, H; Lucchesi, D; Luisier, J; Luo, H; Machefert, F; Machikhiliyan, I V; Maciuc, F; Maev, O; Malde, S; Manca, G; Mancinelli, G; Marconi, U; Märki, R; Marks, J; Martellotti, G; Martens, A; Martin, L; Martín Sánchez, A; Martinelli, M; Martinez Santos, D; Martins Tostes, D; Massafferri, A; Matev, R; Mathe, Z; Matteuzzi, C; Maurice, E; Mazurov, A; McCarthy, J; McNulty, R; Mcnab, A; Meadows, B; Meier, F; Meissner, M; Merk, M; Milanes, D A; Minard, M -N; Molina Rodriguez, J; Monteil, S; Moran, D; Morawski, P; Morello, M J; Mountain, R; Mous, I; Muheim, F; Müller, K; Muresan, R; Muryn, B; Muster, B; Naik, P; Nakada, T; Nandakumar, R; Nasteva, I; Needham, M; Neufeld, N; Nguyen, A D; Nguyen, T D; Nguyen-Mau, C; Nicol, M; Niess, V; Niet, R; Nikitin, N; Nikodem, T; Nomerotski, A; Novoselov, A; Oblakowska-Mucha, A; Obraztsov, V; Oggero, S; Ogilvy, S; Okhrimenko, O; Oldeman, R; Orlandea, M; Otalora Goicochea, J M; Owen, P; Pal, B K; Palano, A; Palutan, M; Panman, J; Papanestis, A; Pappagallo, M; Parkes, C; Parkinson, C J; Passaleva, G; Patel, G D; Patel, M; Patrick, G N; Patrignani, C; Pavel-Nicorescu, C; Pazos Alvarez, A; Pellegrino, A; Penso, G; Pepe Altarelli, M; Perazzini, S; Perego, D L; Perez Trigo, E; Pérez-Calero Yzquierdo, A; Perret, P; Perrin-Terrin, M; Pessina, G; Petridis, K; Petrolini, A; Phan, A; Picatoste Olloqui, E; Pietrzyk, B; Pilař, T; Pinci, D; Playfer, S; Plo Casasus, M; Polci, F; Polok, G; Poluektov, A; Polycarpo, E; Popov, D; Popovici, B; Potterat, C; Powell, A; Prisciandaro, J; Pugatch, V; Puig Navarro, A; Punzi, G; Qian, W; Rademacker, J H; Rakotomiaramanana, B; Rangel, M S; Raniuk, I; Rauschmayr, N; Raven, G; Redford, S; Reid, M M; dos Reis, A C; Ricciardi, S; Richards, A; Rinnert, K; Rives Molina, V; Roa Romero, D A; Robbe, P; Rodrigues, E; Rodriguez Perez, P; Roiser, S; Romanovsky, V; Romero Vidal, A; Rouvinet, J; Ruf, T; Ruffini, F; Ruiz, H; Ruiz Valls, P; Sabatino, G; Saborido Silva, J J; Sagidova, N; Sail, P; Saitta, B; Salzmann, C; Sanmartin Sedes, B; Sannino, M; Santacesaria, R; Santamarina Rios, C; Santovetti, E; Sapunov, M; Sarti, A; Satriano, C; Satta, A; Savrie, M; Savrina, D; Schaack, P; Schiller, M; Schindler, H; Schlupp, M; Schmelling, M; Schmidt, B; Schneider, O; Schopper, A; Schune, M -H; Schwemmer, R; Sciascia, B; Sciubba, A; Seco, M; Semennikov, A; Senderowska, K; Sepp, I; Serra, N; Serrano, J; Seyfert, P; Shapkin, M; Shapoval, I; Shatalov, P; Shcheglov, Y; Shears, T; Shekhtman, L; Shevchenko, O; Shevchenko, V; Shires, A; Silva Coutinho, R; Skwarnicki, T; Smith, N A; Smith, E; Smith, M; Sokoloff, M D; Soler, F J P; Soomro, F; Souza, D; Souza De Paula, B; Spaan, B; Sparkes, A; Spradlin, P; Stagni, F; Stahl, S; Steinkamp, O; Stoica, S; Stone, S; Storaci, B; Straticiuc, M; Straumann, U; Subbiah, V K; Swientek, S; Syropoulos, V; Szczekowski, M; Szczypka, P; Szumlak, T; T'Jampens, S; Teklishyn, M; Teodorescu, E; Teubert, F; Thomas, C; Thomas, E; van Tilburg, J; Tisserand, V; Tobin, M; Tolk, S; Tonelli, D; Topp-Joergensen, S; Torr, N; Tournefier, E; Tourneur, S; Tran, M T; Tresch, M; Tsaregorodtsev, A; Tsopelas, P; Tuning, N; Ubeda Garcia, M; Ukleja, A; Urner, D; Uwer, U; Vagnoni, V; Valenti, G; Vazquez Gomez, R; Vazquez Regueiro, P; Vecchi, S; Velthuis, J J; Veltri, M; Veneziano, G; Vesterinen, M; Viaud, B; Vieira, D; Vilasis-Cardona, X; Vollhardt, A; Volyanskyy, D; Voong, D; Vorobyev, A; Vorobyev, V; Voß, C; Voss, H; Waldi, R; Wallace, R; Wandernoth, S; Wang, J; Ward, D R; Watson, N K; Webber, A D; Websdale, D; Whitehead, M; Wicht, J; Wiechczynski, J; Wiedner, D; Wiggers, L; Wilkinson, G; Williams, M P; Williams, M; Wilson, F F; Wishahi, J; Witek, M; Wotton, S A; Wright, S; Wu, S; Wyllie, K; Xie, Y; Xing, F; Xing, Z; Yang, Z; Young, R; Yuan, X; Yushchenko, O; Zangoli, M; Zavertyaev, M; Zhang, F; Zhang, L; Zhang, W C; Zhang, Y; Zhelezov, A; Zhokhov, A; Zhong, L; Zvyagin, A
2013-01-01
The quantum numbers of the $X(3872)$ meson are determined to be $J^{PC} = 1^{++}$ based on angular correlations in $B^+\\to X(3872) K^+$ decays, where $X(3872)\\to \\pi^+\\pi^- J/\\psi$ and $J/\\psi \\to\\mu^+\\mu^-$. The data correspond to 1.0 fb$^{-1}$ of $pp$ collisions collected by the LHCb detector. The only alternative assignment allowed by previous measurements, $J^{PC}=2^{-+}$, is rejected with a confidence level equivalent to more than eight Gaussian standard deviations using the likelihood-ratio test in the full angular phase space. This result favors exotic explanations of the $X(3872)$ state.
Natural occupation numbers in two-electron quantum rings
Energy Technology Data Exchange (ETDEWEB)
Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)
2016-02-07
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.
Experimental quantum 'Guess my Number' protocol using multiphoton entanglement
International Nuclear Information System (INIS)
Zhang, Jun; Bao, Xiao-Hui; Chen, Teng-Yun; Yang, Tao; Cabello, Adan; Pan, Jian-Wei
2007-01-01
We present an experimental demonstration of a modified version of the entanglement-assisted 'Guess my Number' protocol for the reduction of communication complexity among three separated parties. The results of experimental measurements imply that the separated parties can compute a function of distributed inputs by exchanging less classical information than by using any classical strategy. And the results also demonstrate the advantages of entanglement-enhanced communication, which is very close to quantum communication. The advantages are based on the properties of Greenberger-Horne-Zeilinger states
Numerical investigation on flow-induced vibration of a triangular cylinder at a low Reynolds number
Energy Technology Data Exchange (ETDEWEB)
Wang, Huakun; Zhao, Dongliang; Yang, Wenyu; Yu, Guoliang, E-mail: yugl@sjtu.edu.cn [State Key Laboratory of Ocean Engineering, School of Naval Architecture, Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai, People’s Republic of China (China)
2015-02-01
Flow-induced vibration (FIV) of a triangular cylinder is numerically investigated at a Reynolds number of Re = 100. The four-step fractional finite element method is employed to solve the two-dimensional (2D) incompressible Navier–Stokes equations. The cylinder is endowed with a two-degree-of-freedom motion with the reduced mass ratio of M{sub r} = 2. Three typical flow incidence angles, α = 0°, 30° and 60°, are examined to identify the effect of incidence angle on the vibration characteristics of the cylinder. For each α, computations are conducted in a wide range of reduced velocities 2 U{sub r} ≤ 18. The numerical results show that at α = 0° and 30°, the responses of the cylinder are dominated by vortex-induced vibration which resembles that of a circular cylinder. At α = 0°, the peak amplitude of transverse vibration is the smallest among the three investigated α, and most of the cylinder motions exhibit a regular figure-eight trajectory. Some single-loop trajectories are observed at α = 30°, where the vibration frequency in the in-line direction is always identical to that in the transverse direction. At α = 60°, the triangular cylinder undergoes a typical transverse galloping with large amplitude and low frequency, and the vibration trajectories appear to be regular or irregular figure-eight patterns, which are strongly affected by the reduced velocity. (paper)
Two-mode bosonic quantum metrology with number fluctuations
De Pasquale, Antonella; Facchi, Paolo; Florio, Giuseppe; Giovannetti, Vittorio; Matsuoka, Koji; Yuasa, Kazuya
2015-10-01
We search for the optimal quantum pure states of identical bosonic particles for applications in quantum metrology, in particular, in the estimation of a single parameter for the generic two-mode interferometric setup. We consider the general case in which the total number of particles is fluctuating around an average N with variance Δ N2 . By recasting the problem in the framework of classical probability, we clarify the maximal accuracy attainable and show that it is always larger than the one reachable with a fixed number of particles (i.e., Δ N =0 ). In particular, for larger fluctuations, the error in the estimation diminishes proportionally to 1 /Δ N , below the Heisenberg-like scaling 1 /N . We also clarify the best input state, which is a quasi-NOON state for a generic setup and, for some special cases, a two-mode Schrödinger-cat state with a vacuum component. In addition, we search for the best state within the class of pure Gaussian states with a given average N , which is revealed to be a product state (with no entanglement) with a squeezed vacuum in one mode and the vacuum in the other.
From c-number to q-numbers the classical analogy in the history of quantum theory
Darrigol, Olivier
1992-01-01
The history of quantum theory is a maze of conceptual problems, through which Olivier Darrigol provides a lucid and learned guide, tracking the role of formal analogies between classical and quantum theory. From Planck's first introduction of the quantum of action to Dirac's formulation of quantum mechanics, Darrigol illuminates not only the history of quantum theory but also the role of analogies in scientific thinking and theory change. Unlike previous works, which have tended to focus on qualitative, global arguments, Darrigol's study follows the lines of mathematical reasoning and symbolizing and so is able to show the motivations of early quantum theorists more precisely—and provocatively—than ever before. Erudite and original, From c-Numbers to q-Numbers sets a new standard as a philosophically perceptive and mathematically precise history of quantum mechanics. For years to come it will influence historical and philosophical discussions of twentieth-century physics.
International Nuclear Information System (INIS)
Yurtsever, E.; Brickmann, J.
1990-01-01
A two dimensional strongly nonharmonic vibrational system with nonlinear intermode coupling is studied both classically and quantum mechanically. The system was chosen such that there is a low lying transition (in energy) from a region where almost all trajectories move regularly to a region where chaotic dynamics strongly dominates. The corresponding quantum system is far away from the semiclassical limit. The eigenfunctions are calculated with high precision according to a linear variational scheme using conveniently chosen basis functions. It is the aim of this paper to check whether the prediction from semiclassical theory, namely that the measure of classically chaotic trajectories in phase space approaches the measure of irregular states in corresponding energy ranges, holds when the system is not close to the classical limit. It is also the aim to identify individual eigenfunctions with respect to regularity and to differentiate between local and normal vibrational states. It is found that there are quantitative and also qualitative differences between the quantum results and the semiclassical predictions. (orig./HK)
Miszczak, Jarosław Adam
2013-01-01
The presented package for the Mathematica computing system allows the harnessing of quantum random number generators (QRNG) for investigating the statistical properties of quantum states. The described package implements a number of functions for generating random states. The new version of the package adds the ability to use the on-line quantum random number generator service and implements new functions for retrieving lists of random numbers. Thanks to the introduced improvements, the new version provides faster access to high-quality sources of random numbers and can be used in simulations requiring large amount of random data. New version program summaryProgram title: TRQS Catalogue identifier: AEKA_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKA_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 18 134 No. of bytes in distributed program, including test data, etc.: 2 520 49 Distribution format: tar.gz Programming language: Mathematica, C. Computer: Any supporting Mathematica in version 7 or higher. Operating system: Any platform supporting Mathematica; tested with GNU/Linux (32 and 64 bit). RAM: Case-dependent Supplementary material: Fig. 1 mentioned below can be downloaded. Classification: 4.15. External routines: Quantis software library (http://www.idquantique.com/support/quantis-trng.html) Catalogue identifier of previous version: AEKA_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183(2012)118 Does the new version supersede the previous version?: Yes Nature of problem: Generation of random density matrices and utilization of high-quality random numbers for the purpose of computer simulation. Solution method: Use of a physical quantum random number generator and an on-line service providing access to the source of true random
Vibrational, electronic and quantum chemical studies of 1,2,4-benzenetricarboxylic-1,2-anhydride.
Arjunan, V; Raj, Arushma; Subramanian, S; Mohan, S
2013-06-01
The FTIR and FT-Raman spectra of 1,2,4-benzenetricarboxylic-1,2-anhydride (BTCA) have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. The complete vibrational assignments and analysis of BTCA have been performed. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP, MP2, B3PW91) method using 6-311++G(**), 6-31G(**) and cc-pVTZ basis sets. The structural parameters, energies, thermodynamic parameters, vibrational frequencies and the NBO charges of BTCA were determined by the DFT method. The (1)H and (13)C isotropic chemical shifts (δ ppm) of BTCA with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. The delocalization energies of different types of interactions were determined. Copyright © 2013 Elsevier B.V. All rights reserved.
Peters, William K.; Tiwari, Vivek; Jonas, David M.
2017-11-01
The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between
Shuffling cards, factoring numbers and the quantum baker's map
International Nuclear Information System (INIS)
Lakshminarayan, Arul
2005-01-01
It is pointed out that an exactly solvable permutation operator, viewed as the quantization of cyclic shifts, is useful in constructing a basis in which to study the quantum baker's map, a paradigm system of quantum chaos. In the basis of this operator the eigenfunctions of the quantum baker's map are compressed by factors of around five or more. We show explicitly its connection to an operator that is closely related to the usual quantum baker's map. This permutation operator has interesting connections to the art of shuffling cards as well as to the quantum factoring algorithm of Shor via the quantum order finding one. Hence we point out that this well-known quantum algorithm makes crucial use of a quantum chaotic operator, or at least one that is close to the quantization of the left-shift, a closeness that we also explore quantitatively. (letter to the editor)
Effect of Temperature and Vibration on Electrical Connectors with Different Number of Contact Cores
Directory of Open Access Journals (Sweden)
Song W. L.
2016-01-01
Full Text Available In this paper, we presented the results from three related analysis performed by adopting the failure models, which provided an explanation of performance influencing factors caused by different number of contact cores, for the purpose of measuring the temperature change and deformation value, which were the factors causing contact failure. The failures were localized in contact parts of the connectors. Performed investigations included thermal analysis, modal analysis, harmonic response analysis and contact failure analysis. From the results of these simulations, related temperature and vibration analysis nephograms were got respectively. And the correctness of results of thermal analysis was verified by Fourier law. The research results of this paper provide a reference for thermal analysis and vibration analysis of electrical connectors, which is important for ensuring the reliability and safety of electrical connectors.
Dai, Peng; Jiang, Nan; Tan, Ren-Xiang
2016-01-01
Elucidation of absolute configuration of chiral molecules including structurally complex natural products remains a challenging problem in organic chemistry. A reliable method for assigning the absolute stereostructure is to combine the experimental circular dichroism (CD) techniques such as electronic and vibrational CD (ECD and VCD), with quantum mechanics (QM) ECD and VCD calculations. The traditional QM methods as well as their continuing developments make them more applicable with accuracy. Taking some chiral natural products with diverse conformations as examples, this review describes the basic concepts and new developments of QM approaches for ECD and VCD calculations in solution and solid states.
Ghersi, Dario; Parakh, Abhishek; Mezei, Mihaly
2017-12-05
Four pseudorandom number generators were compared with a physical, quantum-based random number generator using the NIST suite of statistical tests, which only the quantum-based random number generator could successfully pass. We then measured the effect of the five random number generators on various calculated properties in different Markov-chain Monte Carlo simulations. Two types of systems were tested: conformational sampling of a small molecule in aqueous solution and liquid methanol under constant temperature and pressure. The results show that poor quality pseudorandom number generators produce results that deviate significantly from those obtained with the quantum-based random number generator, particularly in the case of the small molecule in aqueous solution setup. In contrast, the widely used Mersenne Twister pseudorandom generator and a 64-bit Linear Congruential Generator with a scrambler produce results that are statistically indistinguishable from those obtained with the quantum-based random number generator. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Chen, H.T.; Muether, H.; Faessler, A.
1978-01-01
Pairing vibrational and isospin rotational states are described in different approximations based on particle number and isospin projected, proton-proton, neutron-neutron and proton-neutron pairing wave functions and on the generator coordinate method (GCM). The investigations are performed in models for which an exact group theoretical solution exists. It turns out that a particle number and isospin projection is essential to yield a good approximation to the ground state or isospin yrast state energies. For strong pairing correlations (pairing force constant equal to the single-particle level distance) isospin cranking (-ωTsub(x)) yields with particle number projected pairing wave function also good agreement with the exact energies. GCM wave functions generated by particle number and isospin projected BCS functions with different amounts of pairing correlations yield for the lowest T=0 and T=2 states energies which are practically indistinguishable from the exact solutions. But even the second and third lowest energies of charge-symmetric states are still very reliable. Thus it is concluded that also in realistic cases isospin rotational and pairing vibrational states may be described in the framework of the GCM method with isospin and particle number projected generating wave functions. (Auth.)
International Nuclear Information System (INIS)
Gianturco, F.A.; Palma, A.; Semprini, E.; Stefani, F.; Baer, M.
1990-01-01
A three-dimensional quantum-mechanical study of vibrational, state-resolved differential cross sections (DCS) for the direct inelastic and for the charge-transfer scattering channels has been carried out for the H + +O 2 system. The collision energy considered was E c.m. =23.0 eV, which is the same as that examined by Noll and Toennies in their experiments [J. Chem. Phys. 85, 3313 (1986)]. The scattering treatment employed was the charge-transfer infinite-order sudden approximation (CT IOSA) with the vibrational states correctly expanded over the relevant adiabatic basis for each of the two electronic channels. The state-to-state DCS are found to follow closely the behavior of the experimental quantities, both in the inelastic and the charge-transfer channels. Moreover, a careful comparison between the measured relative probabilities and computed values allows us to test in minute detail the efficiency of the scattering model and the reliability of the potential-energy surfaces employed. It is found that vibrational energy transfer is overestimated in the vibrational inelastic channels while in the charge-transfer inelastic channels the same energy transfer is slightly underestimated by the calculations. The total flux distribution, however, is found to be in very good accord with experiments. Angular distributions are also well reproduced both by the DCS and by the average energy-transfer values. The study of some of the CT IOSA quantities also allows us to establish clearly the importance of nonadiabatic transitions in enhancing vibrational inelasticity in the present system
Vibrational studies of Thyroxine hormone: Comparative study with quantum chemical calculations
Borah, Mukunda Madhab; Devi, Th. Gomti
2017-11-01
The FTIR and Raman techniques have been used to record spectra of Thyroxine. The stable geometrical parameters and vibrational wave numbers were calculated based on potential energy distribution (PED) using vibrational energy distribution analysis (VEDA) program. The vibrational energies are assigned to monomer, chain dimer and cyclic dimers of this molecule using the basis set B3LYP/LANL2DZ. The computational scaled frequencies are in good agreements with the experimental results. The study is extended to calculate the HOMO-LUMO energy gap, Molecular Electrostatic Potential (MEP) surface, hardness (η), chemical potential (μ), Global electrophilicity index (ω) and different thermo dynamical properties of Thyroxine in different states. The calculated HOMO-LUMO energies show the charge transfer occurs within the molecule. The calculated Natural bond orbital (NBO) analysis confirms the presence of intra-molecular charge transfer as well as the hydrogen bonding interaction.
Directory of Open Access Journals (Sweden)
K. S. Kalogerakis
2018-01-01
Full Text Available The question of whether mesospheric OH(v rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibrational levels demonstrated reproducible trends in the extracted OH(v rotational temperatures as a function of vibrational excitation. Laboratory experiments provided information on rotational energy transfer and direct evidence for fast multi-quantum OH(high-v vibrational relaxation by O atoms. We examine the relationship of the new relaxation pathways with the behavior exhibited by OH(v rotational population distributions. Rapid OH(high-v + O multi-quantum vibrational relaxation connects high and low vibrational levels and enhances the hot tail of the OH(low-v rotational distributions. The effective rotational temperatures of mesospheric OH(v are found to deviate from local thermodynamic equilibrium for all observed vibrational levels. Dedicated to Tom G. Slanger in celebration of his 5 decades of research in aeronomy.
International Nuclear Information System (INIS)
Nishimura, Tamio; Gianturco, Franco A.
2002-01-01
We report the quantum dynamical close-coupling equations relevant for vibrationally inelastic processes in low-energy collisions between a beam of positrons and the CH 4 molecule in the gas phase. The interaction potential is described in detail and we report also our numerical technique for solving the scattering equations. The cross sections are obtained for the excitations of all the modes of the title molecule and are compared both with simpler computational approximations and with the recent experiments for the two distinct energy regions that correspond to the combined symmetric and antisymmetric stretching modes and to twisting and scissoring modes, respectively. Our calculations reproduce well the shape and the values of the experimental findings and give useful insights into the microscopic dynamics for molecular excitation processes activated by low-energy positron scattering
Yang, Yu-Guang; Xu, Peng; Yang, Rui; Zhou, Yi-Hua; Shi, Wei-Min
2016-01-01
Quantum information and quantum computation have achieved a huge success during the last years. In this paper, we investigate the capability of quantum Hash function, which can be constructed by subtly modifying quantum walks, a famous quantum computation model. It is found that quantum Hash function can act as a hash function for the privacy amplification process of quantum key distribution systems with higher security. As a byproduct, quantum Hash function can also be used for pseudo-random number generation due to its inherent chaotic dynamics. Further we discuss the application of quantum Hash function to image encryption and propose a novel image encryption algorithm. Numerical simulations and performance comparisons show that quantum Hash function is eligible for privacy amplification in quantum key distribution, pseudo-random number generation and image encryption in terms of various hash tests and randomness tests. It extends the scope of application of quantum computation and quantum information.
Yang, Yu-Guang; Xu, Peng; Yang, Rui; Zhou, Yi-Hua; Shi, Wei-Min
2016-01-01
Quantum information and quantum computation have achieved a huge success during the last years. In this paper, we investigate the capability of quantum Hash function, which can be constructed by subtly modifying quantum walks, a famous quantum computation model. It is found that quantum Hash function can act as a hash function for the privacy amplification process of quantum key distribution systems with higher security. As a byproduct, quantum Hash function can also be used for pseudo-random number generation due to its inherent chaotic dynamics. Further we discuss the application of quantum Hash function to image encryption and propose a novel image encryption algorithm. Numerical simulations and performance comparisons show that quantum Hash function is eligible for privacy amplification in quantum key distribution, pseudo-random number generation and image encryption in terms of various hash tests and randomness tests. It extends the scope of application of quantum computation and quantum information. PMID:26823196
Sivaprakash, S.; Prakash, S.; Mohan, S.; Jose, Sujin P.
2017-12-01
Quantum chemical calculations of energy and geometrical parameters of 1-aminoisoquinoline [1-AIQ] were carried out by using DFT/B3LYP method using 6-311G (d,p), 6-311G++(d,p) and cc-pVTZ basis sets. The vibrational wavenumbers were computed for the energetically most stable, optimized geometry. The vibrational assignments were performed on the basis of potential energy distribution (PED) using VEDA program. The NBO analysis was done to investigate the intra molecular charge transfer of the molecule. The frontier molecular orbital (FMO) analysis was carried out and the chemical reactivity descriptors of the molecule were studied. The Mulliken charge analysis, molecular electrostatic potential (MEP), HOMO-LUMO energy gap and the related properties were also investigated at B3LYP level. The absorption spectrum of the molecule was studied from UV-Visible analysis by using time-dependent density functional theory (TD-DFT). Fourier Transform Infrared spectrum (FT-IR) and Raman spectrum of 1-AIQ compound were analyzed and recorded in the range 4000-400 cm-1 and 3500-100 cm-1 respectively. The experimentally determined wavenumbers were compared with those calculated theoretically and they complement each other.
Large numbers hypothesis. IV - The cosmological constant and quantum physics
Adams, P. J.
1983-01-01
In standard physics quantum field theory is based on a flat vacuum space-time. This quantum field theory predicts a nonzero cosmological constant. Hence the gravitational field equations do not admit a flat vacuum space-time. This dilemma is resolved using the units covariant gravitational field equations. This paper shows that the field equations admit a flat vacuum space-time with nonzero cosmological constant if and only if the canonical LNH is valid. This allows an interpretation of the LNH phenomena in terms of a time-dependent vacuum state. If this is correct then the cosmological constant must be positive.
Nuclear quantum many-body dynamics: from collective vibrations to heavy-ion collisions
International Nuclear Information System (INIS)
Simenel, Cedric
2012-01-01
This report gives a summary of my research on nuclear dynamics during the past ten years. The choice of this field has been motivated by the desire to understand the physics of complex systems obeying quantum mechanics. In particular, the interplay between collective motion and single-particle degrees of freedom is a source of complex and fascinating behaviours. For instance, giant resonances are characterised by a collective vibration of many nucleons, but their decay may occur by the emission of a single nucleon. Another example could be taken from the collision of nuclei where the transfer of few nucleons may have a strong impact on the formation of a compound system is non trivial. To describe these complex systems, one needs to solve the quantum many-body problem. The description of the dynamics of composite systems can be very challenging, especially when two such systems interact. An important goal of nuclear physics is to find a unified way to describe the dynamics of nuclear systems. Ultimately, the same theoretical model should be able to describe vibrations, rotations, fission, all the possible outcomes of heavy-ion collisions (elastic and inelastic scattering, particle transfer, fusion, and multifragmentation), and even the dynamics of neutron star crust. This desire for a global approach to nuclear dynamics has strongly influenced my research activities. In particular, all the numerical applications presented in this report have been obtained from few numerical codes solving equations derived from the same variational principle. Beside the quest for a unified model of nuclear dynamics, possible applications of heavy-ion collisions such as the formation of new nuclei is also a strong motivation for the experimental and theoretical studies of reaction mechanisms. This report is not a review article, but should be considered as a reading guide of the main papers my collaborators and myself have published. It also gives the opportunity to detail some
Physics of lateral triple quantum-dot molecules with controlled electron numbers.
Hsieh, Chang-Yu; Shim, Yun-Pil; Korkusinski, Marek; Hawrylak, Pawel
2012-11-01
We review the recent progress in theory and experiments with lateral triple quantum dots with controlled electron numbers down to one electron in each dot. The theory covers electronic and spin properties as a function of topology, number of electrons, gate voltage and external magnetic field. The orbital Hund's rules and Nagaoka ferromagnetism, magnetic frustration and chirality, interplay of quantum interference and electron-electron interactions and geometrical phases are described and related to charging and transport spectroscopy. Fabrication techniques and recent experiments are covered, as well as potential applications of triple quantum-dot molecule in coherent control, spin manipulation and quantum computation.
Physics of lateral triple quantum-dot molecules with controlled electron numbers
International Nuclear Information System (INIS)
Hsieh, Chang-Yu; Shim, Yun-Pil; Korkusinski, Marek; Hawrylak, Pawel
2012-01-01
We review the recent progress in theory and experiments with lateral triple quantum dots with controlled electron numbers down to one electron in each dot. The theory covers electronic and spin properties as a function of topology, number of electrons, gate voltage and external magnetic field. The orbital Hund's rules and Nagaoka ferromagnetism, magnetic frustration and chirality, interplay of quantum interference and electron–electron interactions and geometrical phases are described and related to charging and transport spectroscopy. Fabrication techniques and recent experiments are covered, as well as potential applications of triple quantum-dot molecule in coherent control, spin manipulation and quantum computation. (review article)
Energy Technology Data Exchange (ETDEWEB)
Uranga-Piña, L. [Facultad de Física, Universidad de la Habana, San Lázaro y L, Vedado, 10400 Havana (Cuba); Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany); Tremblay, J. C., E-mail: jean.c.tremblay@gmail.com [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)
2014-08-21
We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It
Fractional Quantum Hall Effect in n = 0 Landau Band of Graphene with Chern Number Matrix
Kudo, Koji; Hatsugai, Yasuhiro
2018-06-01
Fully taking into account the honeycomb lattice structure, fractional quantum Hall states of graphene are considered by a pseudopotential projected into the n = 0 Landau band. By using chirality as an internal degree of freedom, the Chern number matrices are defined and evaluated numerically. Quantum phase transition induced by changing a range of the interaction is demonstrated that is associated with chirality ferromagnetism. The chirality-unpolarized ground state is consistent with the Halperin 331 state of the bilayer quantum Hall system.
International Nuclear Information System (INIS)
Gollub, C; De Vivie-Riedle, R
2009-01-01
A multi-objective genetic algorithm is applied to optimize picosecond laser fields, driving vibrational quantum processes. Our examples are state-to-state transitions and unitary transformations. The approach allows features of the shaped laser fields and of the excitation mechanisms to be controlled simultaneously with the quantum yield. Within the parameter range accessible to the experiment, we focus on short pulse durations and low pulse energies to optimize preferably robust laser fields. Multidimensional Pareto fronts for these conflicting objectives could be constructed. Comparison with previous work showed that the solutions from Pareto optimizations and from optimal control theory match very well.
L^2-Betti numbers of rigid C*-tensor categories and discrete quantum groups
DEFF Research Database (Denmark)
Kyed, David; Raum, Sven; Vaes, Stefaan
2017-01-01
of the representation category $Rep(G)$ and thus, in particular, invariant under monoidal equivalence. As an application, we obtain several new computations of $L^2$-Betti numbers for discrete quantum groups, including the quantum permutation groups and the free wreath product groups. Finally, we obtain upper bounds...
Quantum dots for future nanophotonic devices : lateral ordering, position, and number control
Nötzel, R.
2010-01-01
After the general aspects of InAs/InP (100) quantum dots (QDs) regarding the formation of QDs versus quantum dashes, wavelength tuning from telecom to mid-infrared region, and device applications, we discuss our recent progress on the lateral ordering, position, and number control of QDs.
Weng, Qianchun; An, Zhenghua; Zhang, Bo; Chen, Pingping; Chen, Xiaoshuang; Zhu, Ziqiang; Lu, Wei
2015-03-23
Low-noise single-photon detectors that can resolve photon numbers are used to monitor the operation of quantum gates in linear-optical quantum computation. Exactly 0, 1 or 2 photons registered in a detector should be distinguished especially in long-distance quantum communication and quantum computation. Here we demonstrate a photon-number-resolving detector based on quantum dot coupled resonant tunneling diodes (QD-cRTD). Individual quantum-dots (QDs) coupled closely with adjacent quantum well (QW) of resonant tunneling diode operate as photon-gated switches- which turn on (off) the RTD tunneling current when they trap photon-generated holes (recombine with injected electrons). Proposed electron-injecting operation fills electrons into coupled QDs which turn "photon-switches" to "OFF" state and make the detector ready for multiple-photons detection. With proper decision regions defined, 1-photon and 2-photon states are resolved in 4.2 K with excellent propabilities of accuracy of 90% and 98% respectively. Further, by identifying step-like photon responses, the photon-number-resolving capability is sustained to 77 K, making the detector a promising candidate for advanced quantum information applications where photon-number-states should be accurately distinguished.
Vibrational modes and strain in GaN/AlN quantum dot stacks: dependence on spacer thickness
Energy Technology Data Exchange (ETDEWEB)
Fresneda, J.; Cros, A.; Llorens, J.M.; Garcia-Cristobal, A.; Cantarero, A. [Institut de Ciencia del Materials, Universitat de Valencia, 46071 Valencia (Spain); Amstatt, B.; Bellet-Amalric, E.; Daudin, B. [CEA-CNRS Group, Nanophysique et Semiconducteurs, DRFMC/SP2M/PSC, CEA-Grenoble, 17 rue des Martyrs, 38054 Grenoble cedex 9 (France)
2007-06-15
We have investigated the influence of spacer thickness on the vibrational and strain characteristics of GaN/AlN quantum dot multilayers (QD). The Raman shift corresponding to the E{sub 2h} vibrational mode related to the QDs has been analyzed for AlN thicknesses ranging from 4.4 nm to 13 nm, while the amount of GaN deposited in each layer remained constant from sample to sample. It is shown that there is a rapid blue shift of the GaN vibrational mode with spacer thickness when its value is smaller than 7 nm while it remains almost constant for thicker spacers. A rapid increase of the Raman line-width in the thicker samples is also observed. The experimental behavior is discussed in comparison with the results of a theoretical model for the strain in the QDs. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Bovino, S; Bodo, E; Yurtsever, E; Gianturco, F A
2008-06-14
The interaction between the triplet state of the lithium dimer, (7)Li(2), with (4)He is obtained from accurate ab initio calculations where the vibrational dependence of the potential is newly computed. Vibrational quenching dynamics within a coupled-channel quantum treatment is carried out at ultralow energies, and large differences in efficiency as a function of the initial vibrational state of the targets are found as one compares the triplet results with those of the singlet state of the same target.
International Nuclear Information System (INIS)
Matveev, V.A.; Tavkhelidze, A.N.
2006-01-01
A brief review is given of the priority works which were mainly carried out at the Laboratory of Theoretical Physics, JINR, and devoted to the introduction to hadron physics of the concept of color and colored quarks, and to the description of hadrons in the framework of the model of quasi-free quarks. These ideas play a key role in the modern theory of strong interactions - quantum chromodynamics
Vortex-Induced Vibration Tests of a Marine Growth Wrapped Cylinder at Subcritical Reynolds Number
Directory of Open Access Journals (Sweden)
Kurian V. J.
2017-01-01
Full Text Available Vortex Induced Vibrations (VIV may cause great damage to deep water risers. Estimation of accurate hydrodynamic coefficients and response amplitudes for fouled tubular cylinders subjected to VIVs is a complex task. This paper presents the results of an extensive experimental investigation on in-line and cross-flow forces acting on cylinders wrapped with marine growth, subjected to current at Subcritical Reynolds Number. The drag and lift force coefficients have been determined through the use of the Fast Fourier Analysis methods. The different tests were conducted in the offshore engineering laboratory at Universiti Teknologi PETRONAS (UTP, Malaysia. In this study, a cylinder with outer diameter Do = 27 mm, fixed at top as cantilever beam was used. The in-line and cross-flow forces were measured using VIV Force Totaller (VIVFT. VIVFT is a two degree of freedom (2DOF forces sensor developed by UTP to measure the VIV forces. The tests were conducted for current velocity varied between 0.118 to 0.59 m/s. The test results suggest that the cylinder wrapped with marine growth has shown an overall increase in drag and inertia coefficients as well as on response amplitudes.
Generation of a superposition of odd photon number states for quantum information networks
DEFF Research Database (Denmark)
Neergaard-Nielsen, Jonas Schou; Nielsen, B.; Hettich, C.
2006-01-01
Quantum information networks, quantum memories, quantum repeaters, linear optics quantum computers Udgivelsesdato: 25 August......Quantum information networks, quantum memories, quantum repeaters, linear optics quantum computers Udgivelsesdato: 25 August...
Wang, Xianwei; Zhang, John Z H; He, Xiao
2015-11-14
Recent advance in biophysics has made it possible to directly measure site-specific electric field at internal sites of proteins using molecular probes with C = O or C≡N groups in the context of vibrational Stark effect. These measurements directly probe changes of electric field at specific protein sites due to, e.g., mutation and are very useful in protein design. Computational simulation of the Stark effect based on force fields such as AMBER and OPLS, while providing good insight, shows large errors in comparison to experimental measurement due to inherent difficulties associated with point charge based representation of force fields. In this study, quantum mechanical calculation of protein's internal electrostatic properties and vibrational Stark shifts was carried out by using electrostatically embedded generalized molecular fractionation with conjugate caps method. Quantum calculated change of mutation-induced electric field and vibrational Stark shift is reported at the internal probing site of enzyme human aldose reductase. The quantum result is in much better agreement with experimental data than those predicted by force fields, underscoring the deficiency of traditional point charge models describing intra-protein electrostatic properties.
Energy Technology Data Exchange (ETDEWEB)
List, Nanna Holmgaard, E-mail: nhl@sdu.dk; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense M, Odense DK-5230 Denmark (Denmark); Beerepoot, Maarten T. P.; Gao, Bin; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø–The Arctic University of Norway, N-9037 Tromsø (Norway); Olsen, Jógvan Magnus Haugaard [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense M, Odense DK-5230 Denmark (Denmark); Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland)
2015-01-21
We present an implementation of analytical quantum mechanical molecular gradients within the polarizable embedding (PE) model to allow for efficient geometry optimizations and vibrational analysis of molecules embedded in large, geometrically frozen environments. We consider a variational ansatz for the quantum region, covering (multiconfigurational) self-consistent-field and Kohn–Sham density functional theory. As the first application of the implementation, we consider the internal vibrational Stark effect of the C=O group of acetophenone in different solvents and derive its vibrational linear Stark tuning rate using harmonic frequencies calculated from analytical gradients and computed local electric fields. Comparisons to PE calculations employing an enlarged quantum region as well as to a non-polarizable embedding scheme show that the inclusion of mutual polarization between acetophenone and water is essential in order to capture the structural modifications and the associated frequency shifts observed in water. For more apolar solvents, a proper description of dispersion and exchange–repulsion becomes increasingly important, and the quality of the optimized structures relies to a larger extent on the quality of the Lennard-Jones parameters.
Energy Technology Data Exchange (ETDEWEB)
Wang, Xianwei [Center for Optics and Optoelectronics Research, College of Science, Zhejiang University of Technology, Hangzhou, Zhejiang 310023 (China); State Key Laboratory of Precision Spectroscopy, Institute of Theoretical and Computational Science, East China Normal University, Shanghai 200062 (China); Zhang, John Z. H.; He, Xiao, E-mail: xiaohe@phy.ecnu.edu.cn [State Key Laboratory of Precision Spectroscopy, Institute of Theoretical and Computational Science, East China Normal University, Shanghai 200062 (China); NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062 (China)
2015-11-14
Recent advance in biophysics has made it possible to directly measure site-specific electric field at internal sites of proteins using molecular probes with C = O or C≡N groups in the context of vibrational Stark effect. These measurements directly probe changes of electric field at specific protein sites due to, e.g., mutation and are very useful in protein design. Computational simulation of the Stark effect based on force fields such as AMBER and OPLS, while providing good insight, shows large errors in comparison to experimental measurement due to inherent difficulties associated with point charge based representation of force fields. In this study, quantum mechanical calculation of protein’s internal electrostatic properties and vibrational Stark shifts was carried out by using electrostatically embedded generalized molecular fractionation with conjugate caps method. Quantum calculated change of mutation-induced electric field and vibrational Stark shift is reported at the internal probing site of enzyme human aldose reductase. The quantum result is in much better agreement with experimental data than those predicted by force fields, underscoring the deficiency of traditional point charge models describing intra-protein electrostatic properties.
International Nuclear Information System (INIS)
List, Nanna Holmgaard; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob; Beerepoot, Maarten T. P.; Gao, Bin; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard
2015-01-01
We present an implementation of analytical quantum mechanical molecular gradients within the polarizable embedding (PE) model to allow for efficient geometry optimizations and vibrational analysis of molecules embedded in large, geometrically frozen environments. We consider a variational ansatz for the quantum region, covering (multiconfigurational) self-consistent-field and Kohn–Sham density functional theory. As the first application of the implementation, we consider the internal vibrational Stark effect of the C=O group of acetophenone in different solvents and derive its vibrational linear Stark tuning rate using harmonic frequencies calculated from analytical gradients and computed local electric fields. Comparisons to PE calculations employing an enlarged quantum region as well as to a non-polarizable embedding scheme show that the inclusion of mutual polarization between acetophenone and water is essential in order to capture the structural modifications and the associated frequency shifts observed in water. For more apolar solvents, a proper description of dispersion and exchange–repulsion becomes increasingly important, and the quality of the optimized structures relies to a larger extent on the quality of the Lennard-Jones parameters
Quantum correlation properties in Matrix Product States of finite-number spin rings
Zhu, Jing-Min; He, Qi-Kai
2018-02-01
The organization and structure of quantum correlation (QC) of quantum spin-chains are very rich and complex. Hence the depiction and measures about the QC of finite-number spin rings deserved to be investigated intensively by using Matrix Product States(MPSs) in addition to the case with infinite-number. Here the dependencies of the geometric quantum discord(GQD) of two spin blocks on the total spin number, the spacing spin number and the environment parameter are presented in detail. We also compare the GQD with the total correlation(TC) and the classical correlation(CC) and illustrate its characteristics. Predictably, our findings may provide the potential of designing the optimal QC experimental detection proposals and pave the way for the designation of optimal quantum information processing schemes.
Quantum dots for future nanophotonic devices : lateral ordering, position, and number control
Nötzel, R.; Sritirawisarn, N.; Selçuk, E.; Wang, H.; Yuan, J.
2009-01-01
We review our recent advances in the lateral ordering, position, and number control of self-organized epitaxial semiconductor quantum dots based on self-organized anisotropic strain engineering, growth on patterned substrates, and selective area growth.
Arjunan, V.; Marchewka, Mariusz K.; Kalaivani, M.
2012-10-01
The molecular complex of betaine with selenious acid namely, betaine dihydrogen selenite (C5H13NO5Se, BDHSe) was synthesised by the reaction of betaine and SeO2 in a 1:1:1 solution of isopropanol, methanol and water. Crystals were grown from this solution by cooling to 253 K for few days. The complex was formed without accompanying proton transfer from selenious acid molecule to betaine. The complete vibrational assignments and analysis of BDHSe have been performed by FTIR, FT-Raman and far-infrared spectral studies. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP) method using 6-311++G∗∗, 6-31G∗∗, cc-pVDZ and 3-21G basis sets. The structural parameters, energies, thermodynamic parameters and the NBO charges of BDHSe were determined by the DFT method. The 1H and 13C isotropic chemical shifts (δ ppm) of BDHSe with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. SHG experiment was carried out using Kurtz-Perry powder technique. The efficiency of second harmonic generation for BDHSe was estimated relatively to KDP: deff = 0.97 deff (KDP).
The Shock and Vibration Digest. Volume 7, Number 7, July 1975.
Contents: News briefs; Feature article: The application of skeleton curves and limit envelopes to analysis of nonlinear vibration; Abstracts from the current literature--analysis and design, computer programs, environments, phenomenology, experimentation, components, systems; Author index ; Literature review; Book reviews.
Efficient Raman generation in a waveguide: A route to ultrafast quantum random number generation
Energy Technology Data Exchange (ETDEWEB)
England, D. G.; Bustard, P. J.; Moffatt, D. J.; Nunn, J.; Lausten, R.; Sussman, B. J., E-mail: ben.sussman@nrc.ca [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada)
2014-02-03
The inherent uncertainty in quantum mechanics offers a source of true randomness which can be used to produce unbreakable cryptographic keys. We discuss the development of a high-speed random number generator based on the quantum phase fluctuations in spontaneously initiated stimulated Raman scattering (SISRS). We utilize the tight confinement and long interaction length available in a Potassium Titanyl Phosphate waveguide to generate highly efficient SISRS using nanojoule pulse energies, reducing the high pump power requirements of the previous approaches. We measure the random phase of the Stokes output using a simple interferometric setup to yield quantum random numbers at 145 Mbps.
Kaneguchi, Akinori; Ozawa, Junya; Kawamata, Seiichi; Kurose, Tomoyuki; Yamaoka, Kaoru
2014-09-26
Whole-body vibration has been suggested for the prevention of muscle mass loss and muscle wasting as an attractive measure for disuse atrophy. This study examined the effects of daily intermittent whole-body vibration and weight bearing during hindlimb suspension on capillary number and muscle atrophy in rat skeletal muscles. Sixty male Wistar rats were randomly divided into four groups: control (CONT), hindlimb suspension (HS), HS + weight bearing (WB), and HS + whole-body vibration (VIB) (n = 15 each). Hindlimb suspension was applied for 2 weeks in HS, HS + WB, and HS + VIB groups. During suspension, rats in HS + VIB group were placed daily on a vibrating whole-body vibration platform for 20 min. In HS + WB group, suspension was interrupted for 20 min/day, allowing weight bearing. Untreated rats were used as controls. Soleus muscle wet weights and muscle fiber cross-sectional areas (CSA) significantly decreased in HS, HS + WB, and HS + VIB groups compared with CONT group. Both muscle weights and CSA were significantly greater in HS + WB and HS + VIB groups compared with HS group. Capillary numbers (represented by capillary-to-muscle fiber ratio) were significantly smaller in all hindlimb suspension-treated groups compared with CONT group. However, a reduction in capillary number by unloading hindlimbs was partially prevented by whole-body vibration. These findings were supported by examining mRNA for angiogenic-related factors. Expression levels of a pro-angiogenic factor, vascular endothelial growth factor-A mRNA, were significantly lower in all hindlimb suspension-treated groups compared with CONT group. There were no differences among hindlimb suspension-treated groups. Expression levels of an anti-angiogenic factor, CD36 (receptor for thrombospondin-1) mRNA, were significantly higher in all hindlimb suspension-treated groups compared with CONT group. Among the hindlimb suspension-treated groups, expression of CD
Rényi entropies and topological quantum numbers in 2D gapped Dirac materials
International Nuclear Information System (INIS)
Bolívar, Juan Carlos; Romera, Elvira
2017-01-01
New topological quantum numbers are introduced by analyzing complexity measures and relative Rényi entropies in silicene in the presence of perpendicular electric and magnetic fields. These topological quantum numbers characterize the topological insulator and band insulator phases in silicene. In addition, we have found that, these information measures reach extremum values at the charge neutrality points. These results are valid for other 2D gapped Dirac materials analogous to silicene with a buckled honeycomb structure and a significant spin-orbit coupling. - Highlights: • Topological quantum numbers (Chern-like numbers) by Rényi entropies in silicene. • These topological numbers characterize silicene topological and band insulator phases. • These information measures reach extremum values at the charge neutrality points. • These results are valid for other 2D gapped Dirac materials analogous to silicene.
Tanburn, Richard; Okada, Emile; Dattani, Nike
2015-01-01
Adiabatic quantum computing has recently been used to factor 56153 [Dattani & Bryans, arXiv:1411.6758] at room temperature, which is orders of magnitude larger than any number attempted yet using Shor's algorithm (circuit-based quantum computation). However, this number is still vastly smaller than RSA-768 which is the largest number factored thus far on a classical computer. We address a major issue arising in the scaling of adiabatic quantum factorization to much larger numbers. Namely, the...
Quantum Flows for Secret Key Distribution in the Presence of the Photon Number Splitting Attack
Directory of Open Access Journals (Sweden)
Luis A. Lizama-Pérez
2014-06-01
Full Text Available Physical implementations of quantum key distribution (QKD protocols, like the Bennett-Brassard (BB84, are forced to use attenuated coherent quantum states, because the sources of single photon states are not functional yet for QKD applications. However, when using attenuated coherent states, the relatively high rate of multi-photonic pulses introduces vulnerabilities that can be exploited by the photon number splitting (PNS attack to brake the quantum key. Some QKD protocols have been developed to be resistant to the PNS attack, like the decoy method, but those define a single photonic gain in the quantum channel. To overcome this limitation, we have developed a new QKD protocol, called ack-QKD, which is resistant to the PNS attack. Even more, it uses attenuated quantum states, but defines two interleaved photonic quantum flows to detect the eavesdropper activity by means of the quantum photonic error gain (QPEG or the quantum bit error rate (QBER. The physical implementation of the ack-QKD is similar to the well-known BB84 protocol.
Arjunan, V; Jayaprakash, A; Carthigayan, K; Periandy, S; Mohan, S
2013-05-01
Experimental and theoretical quantum chemical studies were carried out on 4-hydroxybenzohydrazide (4HBH) and 4-aminobenzohydrazide (4ABH) using FTIR and FT-Raman spectral data. The structural characteristics and vibrational spectroscopic analysis were carried performed by quantum chemical methods with the hybrid exchange-correlation functional B3LYP using 6-31G(**), 6-311++G(**) and aug-cc-pVDZ basis sets. The most stable conformer of the title compounds have been determined from the analysis of potential energy surface. The stable molecular geometries, electronic and thermodynamic parameters, IR intensities, harmonic vibrational frequencies, depolarisation ratio and Raman intensities have been computed. Molecular electrostatic potential and frontier molecular orbitals were constructed to understand the electronic properties. The potential energy distributions (PEDs) were calculated to explain the mixing of fundamental modes. The theoretical geometrical parameters and the fundamental frequencies were compared with the experimental. The interactions of hydroxy and amino group substitutions on the characteristic vibrations of the ring and hydrazide group have been analysed. Copyright © 2013 Elsevier B.V. All rights reserved.
Experimental study of a quantum random-number generator based on two independent lasers
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.
Raffaelli, Francesco; Ferranti, Giacomo; Mahler, Dylan H.; Sibson, Philip; Kennard, Jake E.; Santamato, Alberto; Sinclair, Gary; Bonneau, Damien; Thompson, Mark G.; Matthews, Jonathan C. F.
2018-04-01
Optical homodyne detection has found use as a characterisation tool in a range of quantum technologies. So far implementations have been limited to bulk optics. Here we present the optical integration of a homodyne detector onto a silicon photonics chip. The resulting device operates at high speed, up 150 MHz, it is compact and it operates with low noise, quantified with 11 dB clearance between shot noise and electronic noise. We perform on-chip quantum tomography of coherent states with the detector and show that it meets the requirements for characterising more general quantum states of light. We also show that the detector is able to produce quantum random numbers at a rate of 1.2 Gbps, by measuring the vacuum state of the electromagnetic field and applying off-line post processing. The produced random numbers pass all the statistical tests provided by the NIST test suite.
Quantum chromodynamics with infinite number of vector mesons
International Nuclear Information System (INIS)
Geshkenbejn, B.V.
1988-01-01
Families of vector mesons Ρ,Ψ,Υ, contain an infinite number of resonances with gradually increasing widths are considered. The asymptotic freedom requirement involves a relationship between the electric width of k-th resonance and its mass M k derivative over the number k. It is shown that for the families of Ψ and Υ mesons the moment from experimental function R(s) is equal to the sum of the moment from a bare quark loop and the edge term which stems from replacing of summation by integration. These equalities are fulfilled up to 1% for 60 moments in the Ψ-meson family and up to 2% for 96 moments in the Υ-meson family. The electronic widths of the resonances and the Ρ-meson mass are calculated. 7 refs
Kubo, M; Odai, K; Sugimoto, T; Ito, E
2001-06-01
To understand the mechanism of activation of a receptor by its agonist, the excitation and relaxation processes of the vibrational states of the receptor should be examined. As a first approach to this problem, we calculated the normal vibrational modes of agonists (glutamate and kainate) and an antagonist (6-cyano-7-nitroquinoxaline-2,3-dione: CNQX) of the glutamate receptor, and then investigated the vibrational interactions between kainate and the binding site of glutamate receptor subunit GluR2 by use of a semiempirical molecular orbital method (MOPAC2000-PM3). We found that two local vibrational modes of kainate, which were also observed in glutamate but not in CNQX, interacted through hydrogen bonds with the vibrational modes of GluR2: (i) the bending vibration of the amine group of kainate, interacting with the stretching vibration of the carboxyl group of Glu705 of GluR2, and (ii) the symmetric stretching vibration of the carboxyl group of kainate, interacting with the bending vibration of the guanidinium group of Arg485. We also found collective modes with low frequency at the binding site of GluR2 in the kainate-bound state. The vibrational energy supplied by an agonist may flow from the high-frequency local modes to the low-frequency collective modes in a receptor, resulting in receptor activation.
DEFF Research Database (Denmark)
Lorke, Michael; Nielsen, Torben Roland; Mørk, Jesper
2011-01-01
A microscopic theory is used to study the dynamical properties of semiconductor quantum dot based nanocavity laser systems. The carrier kinetics and photon populations are determined using a fully quantum mechanical treatment of the light‐matter coupling. In this work, we investigate the dependency...... of the modulation response in such devices on the number of emitters coupled to the cavity mode. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)...
Energy Technology Data Exchange (ETDEWEB)
Vazhappilly, Tijo Joseph
2008-04-15
This thesis investigates the femtosecond laser induced associative photodesorption of hydrogen, H{sub 2}, and deuterium, D{sub 2}, from a ruthenium metal surface. One of the goals of the present thesis is to suggest, on the basis of theoretical simulations, strategies to control/enhance the photodesorption yield from Ru(0001). For this purpose, we suggest a hybrid scheme to control the reaction, where the adsorbate vibrations are initially excited by an infrared (IR) pulse, prior to the vis pulse. Both adiabatic and non-adiabatic representations for photoinduced desorption problems are employed here. The adiabatic representation is realized within the classical picture using Molecular Dynamics (MD) with electronic frictions. In a quantum mechanical description, non-adiabatic representations are employed within open-system density matrix theory. The time evolution of the desorption process is studied using a two-mode reduced dimensionality model with one vibrational coordinate and one translational coordinate of the adsorbate. The ground and excited electronic state potentials, and dipole function for the IR excitation are taken from first principles. The IR driven vibrational excitation of adsorbate modes with moderate efficiency is achieved by (modified) {pi}-pulses or/and optimal control theory. The fluence dependence of the desorption reaction is computed by including the electronic temperature of the metal calculated from the two-temperature model. We then employed the IR+vis strategy in both models. Here, we found that vibrational excitation indeed promotes the desorption of hydrogen and deuterium. (orig.)
Gao, Xi-feng; Xie, Wu-de; Xu, Wan-hai; Bai, Yu-chuan; Zhu, Hai-tao
2018-04-01
It is well known that the Reynolds number has a significant effect on the vortex-induced vibrations (VIV) of cylinders. In this paper, a novel in-line (IL) and cross-flow (CF) coupling VIV prediction model for circular cylinders has been proposed, in which the influence of the Reynolds number was comprehensively considered. The Strouhal number linked with the vortex shedding frequency was calculated through a function of the Reynolds number. The coefficient of the mean drag force was fitted as a new piecewise function of the Reynolds number, and its amplification resulted from the CF VIV was also taken into account. The oscillating drag and lift forces were modelled with classical van der Pol wake oscillators and their empirical parameters were determined based on the lock-in boundaries and the peak-amplitude formulas. A new peak-amplitude formula for the IL VIV was developed under the resonance condition with respect to the mass-damping ratio and the Reynolds number. When compared with the results from the experiments and some other prediction models, the present model could give good estimations on the vibration amplitudes and frequencies of the VIV both for elastically-mounted rigid and long flexible cylinders. The present model considering the influence of the Reynolds number could generally provide better results than that neglecting the effect of the Reynolds number.
The generation of 68 Gbps quantum random number by measuring laser phase fluctuations
International Nuclear Information System (INIS)
Nie, You-Qi; Liu, Yang; Zhang, Jun; Pan, Jian-Wei; Huang, Leilei; Payne, Frank
2015-01-01
The speed of a quantum random number generator is essential for practical applications, such as high-speed quantum key distribution systems. Here, we push the speed of a quantum random number generator to 68 Gbps by operating a laser around its threshold level. To achieve the rate, not only high-speed photodetector and high sampling rate are needed but also a very stable interferometer is required. A practical interferometer with active feedback instead of common temperature control is developed to meet the requirement of stability. Phase fluctuations of the laser are measured by the interferometer with a photodetector and then digitalized to raw random numbers with a rate of 80 Gbps. The min-entropy of the raw data is evaluated by modeling the system and is used to quantify the quantum randomness of the raw data. The bias of the raw data caused by other signals, such as classical and detection noises, can be removed by Toeplitz-matrix hashing randomness extraction. The final random numbers can pass through the standard randomness tests. Our demonstration shows that high-speed quantum random number generators are ready for practical usage
On quantum statistics for ensembles with a finite number of particles
International Nuclear Information System (INIS)
Trifonov, Evgenii D
2011-01-01
The well-known Bose-Einstein and Fermi-Dirac quantum distributions can be considered as stationary solutions of kinetic equations for the mean occupation numbers in an ideal gas of an arbitrary finite number of identical particles. (methodological notes)
Random number generators tested on quantum Monte Carlo simulations.
Hongo, Kenta; Maezono, Ryo; Miura, Kenichi
2010-08-01
We have tested and compared several (pseudo) random number generators (RNGs) applied to a practical application, ground state energy calculations of molecules using variational and diffusion Monte Carlo metheds. A new multiple recursive generator with 8th-order recursion (MRG8) and the Mersenne twister generator (MT19937) are tested and compared with the RANLUX generator with five luxury levels (RANLUX-[0-4]). Both MRG8 and MT19937 are proven to give the same total energy as that evaluated with RANLUX-4 (highest luxury level) within the statistical error bars with less computational cost to generate the sequence. We also tested the notorious implementation of linear congruential generator (LCG), RANDU, for comparison. (c) 2010 Wiley Periodicals, Inc.
Level repulsion, nuclear chaos, and conserved quantum numbers
International Nuclear Information System (INIS)
Garrett, J.D.
1993-01-01
A statistical analysis of the distribution of level spacings for states with the same spin and parity is described in which the average spacing is calculated for the total ensemble. Though the resulting distribution of level spacings for states of deformed nuclei with Z = 62 - 75 and A = 155 - 185 is the closest to that of a Poisson distribution yet obtained for nuclear levels, significant deviations are observed for small level spacings. Many, but not all, of the very closely-spaced levels have K-values differing by several units. The analysis of level spacings in 157 Ho indicate that considerable caution should be excerised when drawing conclusions from such an analysis for a single deformed nucleus, since the sizable number of spacings that can be obtained from a few rotational bands are not all independent
Directory of Open Access Journals (Sweden)
VLADIMIR M. PETRUSEVSKI
2000-06-01
Full Text Available Hofmann type clatharates are host-guest compounds with the general formula M(NH32M'(CN4·2G, in which M(NH32M'(CN4 is the host lattice and G is benzene, the guest molecule. In previous studies, host-guest interactions have been investigated by analyzing the RT and LNT vibrational (infrared, far infrared and Raman spectra of these clathrates. All the observed changes in the vibrational spectra of these clathrates are referred to a host-guest interaction originating from weak hydrogen bonding between the ammonia hydrogen atoms from the host lattice and the p electron cloud of the guest (benzene molecules. In order to obtain an insight into the relative importance of the local crystalline field vs. the anharmonicity effects on the spectroscopic properties of the guest species upon enclathration, as well as to explain the observed band shifts and splittings, several quantum theoretical approaches are proposed.
International Nuclear Information System (INIS)
Gaidash, A A; Egorov, V I; Gleim, A V
2016-01-01
Quantum cryptography allows distributing secure keys between two users so that any performed eavesdropping attempt would be immediately discovered. However, in practice an eavesdropper can obtain key information from multi-photon states when attenuated laser radiation is used as a source of quantum states. In order to prevent actions of an eavesdropper, it is generally suggested to implement special cryptographic protocols, like decoy states or SARG04. In this paper, we describe an alternative method based on monitoring photon number statistics after detection. We provide a useful rule of thumb to estimate approximate order of difference of expected distribution and distribution in case of attack. Formula for calculating a minimum value of total pulses or time-gaps to resolve attack is shown. Also formulas for actual fraction of raw key known to Eve were derived. This method can therefore be used with any system and even combining with mentioned special protocols. (paper)
Quantum phase crossovers with finite atom number in the Dicke model
International Nuclear Information System (INIS)
Hirsch, J G; Castaños, O; Nahmad-Achar, E; López-Peña, R
2013-01-01
Two-level atoms interacting with a one-mode cavity field at zero temperature have order parameters which reflect the presence of a quantum phase transition at a critical value of the atom–cavity coupling strength. Two popular examples are the number of photons inside the cavity and the number of excited atoms. Coherent states provide a mean field description, which becomes exact in the thermodynamic limit. Employing symmetry-adapted (SA) SU(2) coherent states the quantum crossover, precursor of the critical behavior, can be described for a finite number of atoms. A variation after projection treatment, involving a numerical minimization of the SA energy surface, associates the quantum crossover with a discontinuity in the order parameters, which originates from competition between two local minima in the SA energy surface. Although this discontinuity is not present in finite systems, it provides a good description of 1/N effects in the observables. (paper)
International Nuclear Information System (INIS)
Sakai, Takaaki; Yamaguchi, Akira; Morisita, Masaki; Iwata, Koji
1998-08-01
The incident of sodium leakage from a main pipe of the secondary heat transport system of Monju fast breeder reactor was caused by the failure of a thermometer well. 'Flow-induced vibration design guide for thermometer wells' (express as 'design guide') was proposed by PNC Working Group to prevent the same cause of the sodium leak incident in future. On this report, applicability of the 'design guide' was estimated to plant conditions in high Reynolds-number(approximately 3x10 5 ∼ 3x10 6 ) involving the supercritical region, by measured data on a vortex synchronized vibration and a turbulence induced vibration. Experiments were performed for cylindrical and taper shaped types of test pieces. As results, reduced velocity (Vr) at onsets of the inline synchronized vibration were evaluated to be grater than 1.0 in the range of experimental conditions. Fluctuating drag and lift coefficients, which were evaluated from power spectrum of turbulence for Vr < 1.0 condition, were 0.01 ∼ 0.05 for drag direction and 0.04 ∼ 0.13 for lift direction. The fluctuating drag and lift coefficients used in the 'design guide' were estimated to be conservative by comparison with these data. Correlation lengths for a cylinder and a taper shaped one in the high Reynolds-number region were estimated to be 1.6 times of the diameter(D) in the maximum case. The measured value of correlation length is enough smaller than the 'design guide' value of 3.0D. Displacement amplitudes of test pieces for Vr < 1.0 conditions were enough smaller (fives times) than calculated values based on the 'design guide'. Consequently, the applicability of the design guide' was confirmed in the range of experiments involving the super critical Reynolds-number region. (author)
Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.
2013-04-01
The structural investigations of the molecular complex of melamine with maleic acid, namely melaminium maleate monohydrate have been carried out by quantum chemical methods in addition to FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical studies were performed with DFT (B3LYP) method using 6-31G**, cc-pVDZ and 6-311++G** basis sets to determine the energy, structural and thermodynamic parameters of melaminium maleate monohydrate. The hydrogen atom from maleic acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H⋯O and Nsbnd H⋯O hydrogen bonds shows notable vibrational effects.
Arjunan, V; Kalaivani, M; Marchewka, M K; Mohan, S
2013-04-15
The structural investigations of the molecular complex of melamine with maleic acid, namely melaminium maleate monohydrate have been carried out by quantum chemical methods in addition to FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical studies were performed with DFT (B3LYP) method using 6-31G(**), cc-pVDZ and 6-311++G(**) basis sets to determine the energy, structural and thermodynamic parameters of melaminium maleate monohydrate. The hydrogen atom from maleic acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak OH···O and NH···O hydrogen bonds shows notable vibrational effects. Copyright © 2013 Elsevier B.V. All rights reserved.
Overlapping levels described by identical quantum numbers in the spectrum of helium-like uranium
International Nuclear Information System (INIS)
Gorshkov, V.; Karasiov, V.; Labzowsky, L.; Nefiodov, A.; Sultanaev, A.
1992-01-01
The dynamics of the decay of overlapping levels with identical quantum numbers and the formation of the spectral line contour are studied by the method of summation of diagrams for the S-matrix in the Furry picture. The result suggests that the shape of the contour differs significantly from the usual superposition of Breit-Wigner contours. The case of two adjacent levels 2s 2 and 2p 2 , with identical exact quantum numbers is considered in the spectrum of helium-like uranium under coherent excitation conditions of the initial state. (Author). 16 refs, 1 fig
Directory of Open Access Journals (Sweden)
Renato Lemus
2012-11-01
Full Text Available The eigenfunction approach used for discrete symmetries is deduced from the concept of quantum numbers. We show that the irreducible representations (irreps associated with the eigenfunctions are indeed a shorthand notation for the set of eigenvalues of the class operators (character table. The need of a canonical chain of groups to establish a complete set of commuting operators is emphasized. This analysis allows us to establish in natural form the connection between the quantum numbers and the eigenfunction method proposed by J.Q. Chen to obtain symmetry adapted functions. We then proceed to present a friendly version of the eigenfunction method to project functions.
Novel pseudo-random number generator based on quantum random walks
Yang, Yu-Guang; Zhao, Qian-Qian
2016-02-01
In this paper, we investigate the potential application of quantum computation for constructing pseudo-random number generators (PRNGs) and further construct a novel PRNG based on quantum random walks (QRWs), a famous quantum computation model. The PRNG merely relies on the equations used in the QRWs, and thus the generation algorithm is simple and the computation speed is fast. The proposed PRNG is subjected to statistical tests such as NIST and successfully passed the test. Compared with the representative PRNG based on quantum chaotic maps (QCM), the present QRWs-based PRNG has some advantages such as better statistical complexity and recurrence. For example, the normalized Shannon entropy and the statistical complexity of the QRWs-based PRNG are 0.999699456771172 and 1.799961178212329e-04 respectively given the number of 8 bits-words, say, 16Mbits. By contrast, the corresponding values of the QCM-based PRNG are 0.999448131481064 and 3.701210794388818e-04 respectively. Thus the statistical complexity and the normalized entropy of the QRWs-based PRNG are closer to 0 and 1 respectively than those of the QCM-based PRNG when the number of words of the analyzed sequence increases. It provides a new clue to construct PRNGs and also extends the applications of quantum computation.
Novel pseudo-random number generator based on quantum random walks.
Yang, Yu-Guang; Zhao, Qian-Qian
2016-02-04
In this paper, we investigate the potential application of quantum computation for constructing pseudo-random number generators (PRNGs) and further construct a novel PRNG based on quantum random walks (QRWs), a famous quantum computation model. The PRNG merely relies on the equations used in the QRWs, and thus the generation algorithm is simple and the computation speed is fast. The proposed PRNG is subjected to statistical tests such as NIST and successfully passed the test. Compared with the representative PRNG based on quantum chaotic maps (QCM), the present QRWs-based PRNG has some advantages such as better statistical complexity and recurrence. For example, the normalized Shannon entropy and the statistical complexity of the QRWs-based PRNG are 0.999699456771172 and 1.799961178212329e-04 respectively given the number of 8 bits-words, say, 16Mbits. By contrast, the corresponding values of the QCM-based PRNG are 0.999448131481064 and 3.701210794388818e-04 respectively. Thus the statistical complexity and the normalized entropy of the QRWs-based PRNG are closer to 0 and 1 respectively than those of the QCM-based PRNG when the number of words of the analyzed sequence increases. It provides a new clue to construct PRNGs and also extends the applications of quantum computation.
Energy Technology Data Exchange (ETDEWEB)
Fujihashi, Yuta; Ishizaki, Akihito, E-mail: ishizaki@ims.ac.jp [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan); Fleming, Graham R. [Department of Chemistry, University of California, Berkeley and Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2015-06-07
Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.
A generator for unique quantum random numbers based on vacuum states
DEFF Research Database (Denmark)
Gabriel, C.; Wittmann, C.; Sych, D.
2010-01-01
the purity of a continuous-variable quantum vacuum state to generate unique random numbers. We use the intrinsic randomness in measuring the quadratures of a mode in the lowest energy vacuum state, which cannot be correlated to any other state. The simplicity of our source, combined with its verifiably......Random numbers are a valuable component in diverse applications that range from simulations(1) over gambling to cryptography(2,3). The quest for true randomness in these applications has engendered a large variety of different proposals for producing random numbers based on the foundational...... unpredictability of quantum mechanics(4-11). However, most approaches do not consider that a potential adversary could have knowledge about the generated numbers, so the numbers are not verifiably random and unique(12-15). Here we present a simple experimental setup based on homodyne measurements that uses...
Quantum dynamics for classical systems with applications of the number operator
Bagarello, Fabio
2013-01-01
Mathematics is increasingly applied to classical problems in finance, biology, economics, and elsewhere. Quantum Dynamics for Classical Systems describes how quantum tools—the number operator in particular—can be used to create dynamical systems in which the variables are operator-valued functions and whose results explain the presented model. The book presents mathematical results and their applications to concrete systems and discusses the methods used, results obtained, and techniques developed for the proofs of the results. The central ideas of number operators are illuminated while avoiding excessive technicalities that are unnecessary for understanding and learning the various mathematical applications. The presented dynamical systems address a variety of contexts and offer clear analyses and explanations of concluded results. Additional features in Quantum Dynamics for Classical Systems include: Applications across diverse fields including stock markets and population migration as well as a uniqu...
Directory of Open Access Journals (Sweden)
David M. Benoit
2011-08-01
Full Text Available We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation of the vibrational self-consistent field approach and its correlation corrections. We show that our approach is both robust, accurate and can be easily deployed on computational grids in order to provide an efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters.
Energy Technology Data Exchange (ETDEWEB)
Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)
2015-11-28
Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.
Is the K-quantum number conserved in the order-to-chaos transittion region?
DEFF Research Database (Denmark)
Benzoni...[], G.; Døssing, T.; Herskind, B.
2005-01-01
To study the order-to-chaos transition in nuclei we investigate the validity of the K-quantum number in the excited rapidly rotating 163Er nucleus, analyzing the variance and covariance of the spectrum fluctuations of ¿-cascades feeding into low-K and high-K bands. The data are compared...
Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations
Sert, Yusuf; Çırak, Çağrı; Ucun, Fatih
2013-04-01
In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF), density functional B3LYP and M06-2X methods with 6-311++G(d,p) basis set by Gaussian 09 W program, for the first time. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental data, and they were seen to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.
Quenching vibrations by collisions in cold traps: A quantum study for ...
Indian Academy of Sciences (India)
Scattering theory; ion-molecule collisions vibrational quenching. 1. ... Hence, considerable attention has now turned to .... computed spatial features of the interaction potential for .... radial integration of the coupled equation was extended.
Arjunan, V; Devi, L; Subbalakshmi, R; Rani, T; Mohan, S
2014-09-15
The stable geometry of 2-hydroxy-4-methoxyacetophenone is optimised by DFT/B3LYP method with 6-311++G(∗∗) and cc-pVTZ basis sets. The structural parameters, thermodynamic properties and vibrational frequencies of the optimised geometry have been determined. The effects of substituents (hydroxyl, methoxy and acetyl groups) on the benzene ring vibrational frequencies are analysed. The vibrational frequencies of the fundamental modes of 2-hydroxy-4-methoxyacetophenone have been precisely assigned and analysed and the theoretical results are compared with the experimental vibrations. 1H and 13C NMR isotropic chemical shifts are calculated and assignments made are compared with the experimental values. The energies of important MO's, the total electron density and electrostatic potential of the compound are determined. Various reactivity and selectivity descriptors such as chemical hardness, chemical potential, softness, electrophilicity, nucleophilicity and the appropriate local quantities are calculated. Copyright © 2014 Elsevier B.V. All rights reserved.
Black hole state counting in loop quantum gravity: a number-theoretical approach.
Agulló, Iván; Barbero G, J Fernando; Díaz-Polo, Jacobo; Fernández-Borja, Enrique; Villaseñor, Eduardo J S
2008-05-30
We give an efficient method, combining number-theoretic and combinatorial ideas, to exactly compute black hole entropy in the framework of loop quantum gravity. Along the way we provide a complete characterization of the relevant sector of the spectrum of the area operator, including degeneracies, and explicitly determine the number of solutions to the projection constraint. We use a computer implementation of the proposed algorithm to confirm and extend previous results on the detailed structure of the black hole degeneracy spectrum.
Reference Frame Fields based on Quantum Theory Representations of Real and Complex Numbers
Benioff, Paul
2007-01-01
A quantum theory representations of real (R) and complex (C) numbers is given that is based on states of single, finite strings of qukits for any base k > 1. Both unary representations and the possibility that qukits with k a prime number are elementary and the rest composite are discussed. Cauchy sequences of qukit string states are defined from the arithmetic properties. The representations of R and C, as equivalence classes of these sequences, differ from classical kit string state represe...
How do quantum numbers generally vary in the adiabatic transformation of an ideal gas?
International Nuclear Information System (INIS)
Yarman, T.; Kholmetskii, A. L.
2011-01-01
We continue to analyse the known law of adiabatic transformation for an ideal gas PV 5/3 = Constant, where P is the pressure and V is the volume, and following the approach of non-relativistic quantum mechanics which we suggested in a previous work (Yarman et al. 2010 Int. J. Phys. Sci. 5 1524). We explicitly determine the constant for the general parallelepiped geometry of a container. We also disclose how the quantum numbers associated with molecules of an ideal gas vary through an arbitrary adiabatic transformation. Physical implications of the results obtained are discussed. (physics of gases, plasmas, and electric discharges)
Locality for quantum systems on graphs depends on the number field
Hall, H. Tracy; Severini, Simone
2013-07-01
Adapting a definition of Aaronson and Ambainis (2005 Theory Comput. 1 47-79), we call a quantum dynamics on a digraph saturated Z-local if the nonzero transition amplitudes specifying the unitary evolution are in exact correspondence with the directed edges (including loops) of the digraph. This idea appears recurrently in a variety of contexts including angular momentum, quantum chaos, and combinatorial matrix theory. Complete characterization of the digraph properties that allow such a process to exist is a long-standing open question that can also be formulated in terms of minimum rank problems. We prove that saturated Z-local dynamics involving complex amplitudes occur on a proper superset of the digraphs that allow restriction to the real numbers or, even further, the rationals. Consequently, among these fields, complex numbers guarantee the largest possible choice of topologies supporting a discrete quantum evolution. A similar construction separates complex numbers from the skew field of quaternions. The result proposes a concrete ground for distinguishing between complex and quaternionic quantum mechanics.
Locality for quantum systems on graphs depends on the number field
International Nuclear Information System (INIS)
Hall, H Tracy; Severini, Simone
2013-01-01
Adapting a definition of Aaronson and Ambainis (2005 Theory Comput. 1 47–79), we call a quantum dynamics on a digraph saturated Z-local if the nonzero transition amplitudes specifying the unitary evolution are in exact correspondence with the directed edges (including loops) of the digraph. This idea appears recurrently in a variety of contexts including angular momentum, quantum chaos, and combinatorial matrix theory. Complete characterization of the digraph properties that allow such a process to exist is a long-standing open question that can also be formulated in terms of minimum rank problems. We prove that saturated Z-local dynamics involving complex amplitudes occur on a proper superset of the digraphs that allow restriction to the real numbers or, even further, the rationals. Consequently, among these fields, complex numbers guarantee the largest possible choice of topologies supporting a discrete quantum evolution. A similar construction separates complex numbers from the skew field of quaternions. The result proposes a concrete ground for distinguishing between complex and quaternionic quantum mechanics. (paper)
Attacks exploiting deviation of mean photon number in quantum key distribution and coin tossing
Sajeed, Shihan; Radchenko, Igor; Kaiser, Sarah; Bourgoin, Jean-Philippe; Pappa, Anna; Monat, Laurent; Legré, Matthieu; Makarov, Vadim
2015-03-01
The security of quantum communication using a weak coherent source requires an accurate knowledge of the source's mean photon number. Finite calibration precision or an active manipulation by an attacker may cause the actual emitted photon number to deviate from the known value. We model effects of this deviation on the security of three quantum communication protocols: the Bennett-Brassard 1984 (BB84) quantum key distribution (QKD) protocol without decoy states, Scarani-Acín-Ribordy-Gisin 2004 (SARG04) QKD protocol, and a coin-tossing protocol. For QKD we model both a strong attack using technology possible in principle and a realistic attack bounded by today's technology. To maintain the mean photon number in two-way systems, such as plug-and-play and relativistic quantum cryptography schemes, bright pulse energy incoming from the communication channel must be monitored. Implementation of a monitoring detector has largely been ignored so far, except for ID Quantique's commercial QKD system Clavis2. We scrutinize this implementation for security problems and show that designing a hack-proof pulse-energy-measuring detector is far from trivial. Indeed, the first implementation has three serious flaws confirmed experimentally, each of which may be exploited in a cleverly constructed Trojan-horse attack. We discuss requirements for a loophole-free implementation of the monitoring detector.
High-Speed Device-Independent Quantum Random Number Generation without a Detection Loophole
Liu, Yang; Yuan, Xiao; Li, Ming-Han; Zhang, Weijun; Zhao, Qi; Zhong, Jiaqiang; Cao, Yuan; Li, Yu-Huai; Chen, Luo-Kan; Li, Hao; Peng, Tianyi; Chen, Yu-Ao; Peng, Cheng-Zhi; Shi, Sheng-Cai; Wang, Zhen; You, Lixing; Ma, Xiongfeng; Fan, Jingyun; Zhang, Qiang; Pan, Jian-Wei
2018-01-01
Quantum mechanics provides the means of generating genuine randomness that is impossible with deterministic classical processes. Remarkably, the unpredictability of randomness can be certified in a manner that is independent of implementation devices. Here, we present an experimental study of device-independent quantum random number generation based on a detection-loophole-free Bell test with entangled photons. In the randomness analysis, without the independent identical distribution assumption, we consider the worst case scenario that the adversary launches the most powerful attacks against the quantum adversary. After considering statistical fluctuations and applying an 80 Gb ×45.6 Mb Toeplitz matrix hashing, we achieve a final random bit rate of 114 bits /s , with a failure probability less than 10-5. This marks a critical step towards realistic applications in cryptography and fundamental physics tests.
Systematic vibration thermodynamic properties of bromine
Liu, G. Y.; Sun, W. G.; Liao, B. T.
2015-11-01
Based on the analysis of the maturity and finiteness of vibrational levels of bromine molecule in ground state and evaluating the effect on statistical computation, according to the elementary principles of quantum statistical theorem, using the full set of bromine molecular vibrational levels determined with algebra method, the statistical contribution for bromine systematical macroscopic thermodynamic properties is discussed. Thermodynamic state functions Helmholtz free energy, entropy and observable vibration heat capacity are calculated. The results show that the determination of full set of vibrational levels and maximum vibrational quantum number is the key in the correct statistical analysis of bromine systematical thermodynamic property. Algebra method results are clearly different from data of simple harmonic oscillator and the related algebra method results are no longer analytical but numerical and are superior to simple harmonic oscillator results. Compared with simple harmonic oscillator's heat capacities, the algebra method's heat capacities are more consistent with the experimental data in the given temperature range of 600-2100 K.
Bisadi, Zahra; Acerbi, Fabio; Fontana, Giorgio; Zorzi, Nicola; Piemonte, Claudio; Pucker, Georg; Pavesi, Lorenzo
2018-02-01
A small-sized photonic quantum random number generator, easy to be implemented in small electronic devices for secure data encryption and other applications, is highly demanding nowadays. Here, we propose a compact configuration with Silicon nanocrystals large area light emitting device (LED) coupled to a Silicon photomultiplier to generate random numbers. The random number generation methodology is based on the photon arrival time and is robust against the non-idealities of the detector and the source of quantum entropy. The raw data show high quality of randomness and pass all the statistical tests in national institute of standards and technology tests (NIST) suite without a post-processing algorithm. The highest bit rate is 0.5 Mbps with the efficiency of 4 bits per detected photon.
Directory of Open Access Journals (Sweden)
Zahra Bisadi
2018-02-01
Full Text Available A small-sized photonic quantum random number generator, easy to be implemented in small electronic devices for secure data encryption and other applications, is highly demanding nowadays. Here, we propose a compact configuration with Silicon nanocrystals large area light emitting device (LED coupled to a Silicon photomultiplier to generate random numbers. The random number generation methodology is based on the photon arrival time and is robust against the non-idealities of the detector and the source of quantum entropy. The raw data show high quality of randomness and pass all the statistical tests in national institute of standards and technology tests (NIST suite without a post-processing algorithm. The highest bit rate is 0.5 Mbps with the efficiency of 4 bits per detected photon.
International Nuclear Information System (INIS)
Eerdunchaolu; Xiao Xin; Han Chao; Xin Wei; Wuyunqimuge
2012-01-01
Based on the Huybrechts' linear-combination operator, effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variational method and quantum statistical theory. The results show that the absolute value of the induced potential of the bipolaron increases with increasing the electron-phonon coupling strength, but decreases with increasing the temperature and the distance of electrons, respectively; the absolute value of the effective potential increases with increasing the radius of the quantum dot, electron-phonon coupling strength and the distance of electrons, respectively, but decreases with increasing the temperature; the temperature and electron-phonon interaction have the important influence on the formation and state properties of the bipolaron: the bipolarons in the bound state are closer and more stable when the electron-phonon coupling strength is larger or the temperature is lower; the confinement potential and coulomb repulsive potential between electrons are unfavorable to the formation of bipolarons in the bound state. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
International Nuclear Information System (INIS)
Kurt, M.
2005-01-01
The molecular geometry and vibrational frequencies of 6-methylquinoline(6MQ) and 8-methylquinolines(8MQ) in the ground state have been calculated by using the Hartree-Fock and density functional methods (B3LYP and BLYP) with 6-31G (d) as the basis set. The optimized geometric bond lengths obtained by using B3LYP and bond angles obtained by BLYP were given corresponding experimental values of similar molecule. Comparison of the observed fundamental vibrational frequencies of these molecules and calculated results by density functional B3LYP, BLYP and Hartree-Fock methods indicates that B3LYP is superior to the scaled Hartree- Fock and BLYP approach for molecular vibrational problems
Energy Technology Data Exchange (ETDEWEB)
Hohenberg, Guenter [IVD Prof. Hohenberg GmbH, Graz (Austria); Beidl, Christian [Technische Univ. Darmstadt (Germany). VKM; Hoefler, Dieter [tectos gmbh, Graz (Austria)
2013-08-01
Plug-in hybrid drives will be, in the foreseeable future, the dominant variant for the electrification of vehicles, with the trend clearly pointing to combustion engines with a low number of cylinders and low engine operating speeds. However, the considerable torsional vibration and its impact on the drive train as well as the engine mount pose a problem. The conventional mechanical solutions with dual mass flywheels and pendulum support etc. have clearly reached their limit when it comes to improving the noise vibration harshness (NVH) behavior. Operating the drive engine with low speed values which are relevant for the fuel consumption is therefore only possible to a limited extent. This paper introduces a technique as a solution to the problem, where the excitation frequency can be doubled with the existing E-motor by generating additional torque pulses. This will achieve the excitation of the drive train and the engine mount as would be the case with a combustion engine with twice the number of cylinders. This technique, referred to as directE strategy, is particularly interesting for 2 und 3-cylinder engines. By combining the individual components into a highly integrated directE hybrid module a simple combination of existing combustion engines and gearboxes can be implemented. This paper describes the technique in more detail, which is followed by a discussion of its advantages, disadvantages and the first practical results. (orig.)
Campelo, M. J. M.; Freire, P. T. C.; Mendes Filho, J.; de Toledo, T. A.; Teixeira, A. M. R.; da Silva, L. E.; Bento, R. R. F.; Faria, J. L. B.; Pizani, P. S.; Gusmão, G. O. M.; Coutinho, H. D. M.; Oliveira, M. T. A.
2017-10-01
A new derivative of Meldrum's acid 5-((5-chloropyridin-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CYMM) of molecular formula C12H11ClN2O4 was synthesized and structurally characterized using single crystal X-ray diffraction technique. The vibrational properties of the crystal were studied by Fourier Transform infrared (FT-IR), Fourier Transform Raman (FT-Raman) techniques and theoretical calculations of quantum chemistry using Density functional theory (DFT) and Density functional perturbation theory (DFPT). A comparison with experimental spectra allowed the assignment of all the normal modes. The descriptions of the normal modes were carried by means of potential energy distribution (PED). Additionally, analysis of the antimicrobial activity and antibiotic resistance modulatory activity was carried out to evaluate the antibacterial potential of the CYMM.
International Nuclear Information System (INIS)
Ness, H
2006-01-01
In this paper, we consider the problem of inelastic electron transport in molecular systems in which both electronic and vibrational degrees of freedom are considered on the quantum level. The electronic transport properties of the corresponding molecular nanojunctions are obtained by means of a non-perturbative Landauer-like multi-channel inelastic scattering technique. The connections between this approach and other Green's function techniques that are useful in particular cases are studied in detail. The validity of the wide-band approximation, the effects of the lead self-energy and the dynamical polaron shift are also studied for a wide range of parameters. As a practical application of the method, we consider the effects of the temperature on the conductance properties of molecular breakjunctions in relation to recent experiments
Thirunarayanan, S.; Arjunan, V.; Marchewka, M. K.; Mohan, S.
2017-04-01
The hydrogen bonded molecular complex bis(1-hydroxy-2-methylpropan-2-aminium)selenate (C8H24N2O6Se) has been prepared by the reaction of 2-amino-2-methyl propanol and selenic acid. The X-ray diffraction analysis revealed that the intermolecular proton transfer from selenic acid (SeO4H2) to 2-amino-2-methylpropanol results in the formation of bis(1-hydroxy-2-methylpropan-2-aminium)selenate (HMPAS) salt and the fragments are connected through H-bonding and ion pairing. The N-H⋯O and O-H⋯O interactions between 2-amino-2-methylpropanol and selenic acid determine the supramolecular arrangement in three-dimensional space. The salt crystallises in the space group P121/n1 of monoclinic system. The complete vibrational assignments of HMPAS have been performed by FTIR and FT-Raman spectroscopy. The experimental data are correlated with the structural properties namely the energy, thermodynamic parameters, atomic charges, hybridization concepts and vibrational frequencies determined by quantum chemical studies performed with B3LYP method using 6-311++G*, 6-31+G* and 6-31G** basis sets.
International Nuclear Information System (INIS)
Bellum, J.C.; McGuire, P.
1983-01-01
We investigate forms of the molecular system Hamiltonian valid for rigorous quantum-mechanical treatments of inelastic atom--diatom collisions characterized by exchange of energy between electronic, vibrational, and rotational degrees of freedom. We analyze this Hamiltonian in terms of various choices of independent coordinates which unambiguously specify the electronic and nuclear positions in the context of space-fixed and body-fixed reference frames. In particular we derive forms of the Hamiltonian in the context of the following four sets of independent coordinates: (1) a so-called space-fixed set, in which both electronic and nuclear positions are relative to the space-fixed frame; (2) a so-called mixed set, in which nuclear positions are relative to the body-fixed frame while electronic positions are relative to the space-fixed frame; (3) a so-called body-fixed set, in which both electronic and nuclear positions are relative to the body-fixed frame; and (4) another mixed set, in which nuclear positions are relative to the space-fixed frame while electronic positions are relative to the body-fixed frame. Based on practical considerations in accounting for electronic structure and nonadiabatic coupling of electronic states of the collision complex we find the forms of the Hamiltonian in the context of coordinate sets (3) and (4) above to be most appropriate, respectively, for body-fixed and space-fixed treatments of nuclear dynamics in collisional transfer of electronic, vibrational, and rotational energies
Effect of the number of stacking layers on the characteristics of quantum-dash lasers
Khan, Mohammed Zahed Mustafa; Bhattacharya, Pallab K.; Ng, Tien Khee; Ooi, Boon S.; Schwingenschlö gl, Udo
2011-01-01
A theoretical model is evaluated to investigate the characteristics of InAs/InP quantum dash (Qdash) lasers as a function of the stack number. The model is based on multimode carrier-photon rate equations and accounts for both inhomogeneous and homogeneous broadenings of the optical gain. The numerical results show a non monotonic increase in the threshold current density and a red shift in the lasing wavelength on increasing the stack number, which agrees well with reported experimental results. This observation may partly be attributed to an increase of inhomogeneity in the active region.
Effect of the number of stacking layers on the characteristics of quantum-dash lasers
Khan, Mohammed Zahed Mustafa
2011-06-27
A theoretical model is evaluated to investigate the characteristics of InAs/InP quantum dash (Qdash) lasers as a function of the stack number. The model is based on multimode carrier-photon rate equations and accounts for both inhomogeneous and homogeneous broadenings of the optical gain. The numerical results show a non monotonic increase in the threshold current density and a red shift in the lasing wavelength on increasing the stack number, which agrees well with reported experimental results. This observation may partly be attributed to an increase of inhomogeneity in the active region.
N-propyl nitrate vibrational spectrum analysis using DFT B3LYP quantum-chemical method
Shaikhullina, R. M.; Hrapkovsky, G. M.; Shaikhullina, M. M.
2018-05-01
Calculation of a molecular structure, conformation and related vibrational spectra of the n- propyl nitrate C3H7NO3 was carried out by means of density functional theory (DFT) by employing the Gaussian 03 package. The molecular geometries were fully optimized by using the Becker's three-parameter hybrid exchange functional combined with the Lee–Yang–Parr correlation functional (B3LYP) and using the 6-31G(d) basis set. By scanning the dihedral angles around C-O and C-C bonds, five energetically most favorable conformers of n-propyl nitrate - TG, TT, GT, GG and G´G forms were found. Vibrational spectra of the most energetically favorable conformers were calculated. The comparative analysis of calculated and experimental spectra is carried out, the spectral features of the conformational state of n-propyl nitrate and the spectral effects of formation of intramolecular hydrogen bonds are established.
El-Mansy, M. A. M.
2017-08-01
Structural and vibrational spectroscopic studies were performed on indigo carmine (IC) isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 software. GaussView 5 program has been employed to perform a detailed interpretation of vibrational spectra. Simulation of infrared spectra has led to an excellent overall agreement with the observed spectral patterns. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NLO, first order hyperpolarizability and thermodynamic properties have been examined by (DFT/B3LYP) method with the SDD basis set level. Density of state spectra (DOS) were calculated using GaussSum 3 at the same level of theory. Molecular modeling approved that DOS Spectra are the most significant tools for differentiating between two IC isomers so far. Moreover, The IC isomers (cis-isomer) have shown an extended applicability for manufacturing both NLO and photovoltaic devices such as solar cells.
Directory of Open Access Journals (Sweden)
Carlos Alberto Riveros
2014-06-01
Full Text Available There is an increasing demand for the development of a reliable technology for wind turbines in deepwaters.Therefore, offshore wind turbine technology is receiving great amount of attention by the research community. Nevertheless, the dynamic response prediction of the support system for offshore wind turbines is still challenging due to the nonlinear and self-regulated nature of the Vortex Induced Vibration (VIV process. In this paper, the numerical implementation of a computational fluid dynamics-based approach for determination of increased mean drag coefficient is presented. The numerical study is conducted at low values of Keulegan-Carpenter number in order to predict the increment of drag force due to cross-flow motion. The simulation results are then compared with previously developed empirical formulations. Good agreement is observed in these comparisons.
Tuan, P H; Wen, C P; Chiang, P Y; Yu, Y T; Liang, H C; Huang, K F; Chen, Y F
2015-04-01
The Chladni nodal line patterns and resonant frequencies for a thin plate excited by an electronically controlled mechanical oscillator are experimentally measured. Experimental results reveal that the resonant frequencies can be fairly obtained by means of probing the variation of the effective impedance of the exciter with and without the thin plate. The influence of the extra mass from the central exciter is confirmed to be insignificant in measuring the resonant frequencies of the present system. In the theoretical aspect, the inhomogeneous Helmholtz equation is exploited to derive the response function as a function of the driving wave number for reconstructing experimental Chladni patterns. The resonant wave numbers are theoretically identified with the maximum coupling efficiency as well as the maximum entropy principle. Substituting the theoretical resonant wave numbers into the derived response function, all experimental Chladni patterns can be excellently reconstructed. More importantly, the dispersion relationship for the flexural wave of the vibrating plate can be determined with the experimental resonant frequencies and the theoretical resonant wave numbers. The determined dispersion relationship is confirmed to agree very well with the formula of the Kirchhoff-Love plate theory.
Quantum processes: probability fluxes, transition probabilities in unit time and vacuum vibrations
International Nuclear Information System (INIS)
Oleinik, V.P.; Arepjev, Ju D.
1989-01-01
Transition probabilities in unit time and probability fluxes are compared in studying the elementary quantum processes -the decay of a bound state under the action of time-varying and constant electric fields. It is shown that the difference between these quantities may be considerable, and so the use of transition probabilities W instead of probability fluxes Π, in calculating the particle fluxes, may lead to serious errors. The quantity W represents the rate of change with time of the population of the energy levels relating partly to the real states and partly to the virtual ones, and it cannot be directly measured in experiment. The vacuum background is shown to be continuously distorted when a perturbation acts on a system. Because of this the viewpoint of an observer on the physical properties of real particles continuously varies with time. This fact is not taken into consideration in the conventional theory of quantum transitions based on using the notion of probability amplitude. As a result, the probability amplitudes lose their physical meaning. All the physical information on quantum dynamics of a system is contained in the mean values of physical quantities. The existence of considerable differences between the quantities W and Π permits one in principle to make a choice of the correct theory of quantum transitions on the basis of experimental data. (author)
XRD, vibrational spectra and quantum chemical studies of an anticancer drug: 6-Mercaptopurine.
Kumar, S Suresh; Athimoolam, S; Sridhar, B
2015-07-05
The single crystal of the hydrated anticancer drug, 6-Mercaptopurine (6-MP), has been grown by slow evaporation technique under room temperature. The structure was determined by single crystal X-ray diffraction. The vibrational spectral analysis was carried out using Laser Raman and FT-IR spectroscopy in the range of 3300-100 and 4000-400 cm(-1). The single crystal X-ray studies shows that the crystal packing is dominated by N-H⋯O and O-H⋯N classical hydrogen bonds leading to a hydrogen bonded ensemble. This classical hydrogen bonds were further connected through O-H⋯S hydrogen bond to form two primary ring R4(4)(16) and R4(4)(12) motifs. These two primary ring motifs are interlinked with each other to build a ladder like structure. These ladders are connected through N-H⋯N hydrogen bond along c-axis of the unit cell through chain C(5) motifs. Further, the strength of the hydrogen bonds is studied through vibrational spectral measurements. The shifting of bands due to the intermolecular interactions was also analyzed in the solid crystalline state. Geometrical optimizations of the drug molecule were done by Density Functional Theory (DFT) using the B3LYP function and Hartree-Fock (HF) level with 6-311++G(d,p) basis set. The optimized molecular geometry and computed vibrational spectra are compared with experimental results which show significant agreement. The natural bond orbital (NBO) analysis was carried out to interpret hyperconjugative interaction and intramolecular charge transfer (ICT). The chemical hardness, electro-negativity and chemical potential of the molecule are carried out by HOMO-LUMO plot. In which, the frontier orbitals has lower band gap value indicating the possible pharmaceutical activity of the molecule. Copyright © 2015 Elsevier B.V. All rights reserved.
Petrenko, A.; Ofek, N.; Vlastakis, B.; Sun, L.; Leghtas, Z.; Heeres, R.; Sliwa, K. M.; Mirrahimi, M.; Jiang, L.; Devoret, M. H.; Schoelkopf, R. J.
2015-03-01
Realizing a working quantum computer requires overcoming the many challenges that come with coupling large numbers of qubits to perform logical operations. These include improving coherence times, achieving high gate fidelities, and correcting for the inevitable errors that will occur throughout the duration of an algorithm. While impressive progress has been made in all of these areas, the difficulty of combining these ingredients to demonstrate an error-protected logical qubit, comprised of many physical qubits, still remains formidable. With its large Hilbert space, superior coherence properties, and single dominant error channel (single photon loss), a superconducting 3D resonator acting as a resource for a quantum memory offers a hardware-efficient alternative to multi-qubit codes [Leghtas et.al. PRL 2013]. Here we build upon recent work on cat-state encoding [Vlastakis et.al. Science 2013] and photon-parity jumps [Sun et.al. 2014] by exploring the effects of sequential measurements on a cavity state. Employing a transmon qubit dispersively coupled to two superconducting resonators in a cQED architecture, we explore further the application of parity measurements to characterizing such a hybrid qubit/cat state architecture. In so doing, we demonstrate the promise of integrating cat states as central constituents of future quantum codes.
Direct measurement of discrete valley and orbital quantum numbers in bilayer graphene.
Hunt, B M; Li, J I A; Zibrov, A A; Wang, L; Taniguchi, T; Watanabe, K; Hone, J; Dean, C R; Zaletel, M; Ashoori, R C; Young, A F
2017-10-16
The high magnetic field electronic structure of bilayer graphene is enhanced by the spin, valley isospin, and an accidental orbital degeneracy, leading to a complex phase diagram of broken symmetry states. Here, we present a technique for measuring the layer-resolved charge density, from which we directly determine the valley and orbital polarization within the zero energy Landau level. Layer polarization evolves in discrete steps across 32 electric field-tuned phase transitions between states of different valley, spin, and orbital order, including previously unobserved orbitally polarized states stabilized by skew interlayer hopping. We fit our data to a model that captures both single-particle and interaction-induced anisotropies, providing a complete picture of this correlated electron system. The resulting roadmap to symmetry breaking paves the way for deterministic engineering of fractional quantum Hall states, while our layer-resolved technique is readily extendable to other two-dimensional materials where layer polarization maps to the valley or spin quantum numbers.The phase diagram of bilayer graphene at high magnetic fields has been an outstanding question, with orders possibly between multiple internal quantum degrees of freedom. Here, Hunt et al. report the measurement of the valley and orbital order, allowing them to directly reconstruct the phase diagram.
Hahn, Seungsoo
2016-10-28
The Hamiltonian matrix for the first excited vibrational states of a protein can be effectively represented by local vibrational modes constituting amide III, II, I, and A modes to simulate various vibrational spectra. Methods for obtaining the Hamiltonian matrix from ab initio quantum calculation results are discussed, where the methods consist of three steps: selection of local vibrational mode coordinates, calculation of a reduced Hessian matrix, and extraction of the Hamiltonian matrix from the Hessian matrix. We introduce several methods for each step. The methods were assessed based on the density functional theory calculation results of 24 oligopeptides with four different peptide lengths and six different secondary structures. The completeness of a Hamiltonian matrix represented in the reduced local mode space is improved by adopting a specific atom group for each amide mode and reducing the effect of ignored local modes. The calculation results are also compared to previous models using C=O stretching vibration and transition dipole couplings. We found that local electric transition dipole moments of the amide modes are mainly bound on the local peptide planes. Their direction and magnitude are well conserved except amide A modes, which show large variation. Contrary to amide I modes, the vibrational coupling constants of amide III, II, and A modes obtained by analysis of a dipeptide are not transferable to oligopeptides with the same secondary conformation because coupling constants are affected by the surrounding atomic environment.
Post-processing Free Quantum Random Number Generator Based on Avalanche Photodiode Array
International Nuclear Information System (INIS)
Li Yang; Liao Sheng-Kai; Liang Fu-Tian; Shen Qi; Liang Hao; Peng Cheng-Zhi
2016-01-01
Quantum random number generators adopting single photon detection have been restricted due to the non-negligible dead time of avalanche photodiodes (APDs). We propose a new approach based on an APD array to improve the generation rate of random numbers significantly. This method compares the detectors' responses to consecutive optical pulses and generates the random sequence. We implement a demonstration experiment to show its simplicity, compactness and scalability. The generated numbers are proved to be unbiased, post-processing free, ready to use, and their randomness is verified by using the national institute of standard technology statistical test suite. The random bit generation efficiency is as high as 32.8% and the potential generation rate adopting the 32 × 32 APD array is up to tens of Gbits/s. (paper)
Arjunan, V.; Anitha, R.; Marchewka, M. K.; Mohan, S.; Yang, Haifeng
2015-01-01
The Fourier transform infrared (FTIR) and FT-Raman spectra of cis-2-methoxycinnamic acid have been measured in the range 4000-400 and 4000-100 cm-1, respectively. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constrains using the DFT/B3LYP method utilising 6-311++G∗∗ and cc-pVTZ basis sets. The thermodynamic stability and chemical reactivity descriptors of the molecule have been determined. The exact environment of C and H of the molecule has been analysed by NMR spectroscopies through 1H and 13C NMR chemical shifts of the molecule. The energies of the frontier molecular orbitals have also been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. The vibrational frequencies which were determined experimentally are compared with those obtained theoretically from density functional theory (DFT) gradient calculations employing the B3LYP/6-311++G∗∗ and cc-pVTZ methods.
Arjunan, V.; Raj, Arushma; Santhanam, R.; Marchewka, M. K.; Mohan, S.
2013-02-01
Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. 1H and 13C NMR chemical shifts and the electronic transitions of the molecule are also discussed.
Arjunan, V; Raj, Arushma; Santhanam, R; Marchewka, M K; Mohan, S
2013-02-01
Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. (1)H and (13)C NMR chemical shifts and the electronic transitions of the molecule are also discussed. Copyright © 2012 Elsevier B.V. All rights reserved.
Quantum numbers of anti-grand-unified-theory Higgs fields from the quark-lepton spectrum
International Nuclear Information System (INIS)
Froggatt, C.D.; Nielsen, H.B.; Smith, D.J.
2002-01-01
A series of Higgs field quantum numbers in the anti-grand-unification model, based on the gauge group SMG 3 xU(1) f , is tested against the spectrum of quark and lepton masses and mixing angles. A more precise formulation of the statement that the couplings are assumed of order unity is given. It is found that the corrections coming from this more precise assumption do not contain factors of the order of the number of colors, N c =3, as one could have feared. We also include a combinatorial correction factor, taking account of the distinct internal orderings within the chain Feynman diagrams in our statistical estimates. Strictly speaking our model predicts that the uncertainty in its predictions and thus the accuracy of our fits should be ±60%. Many of the best fitting quantum numbers give a higher accuracy fit to the masses and mixing angles, although within the expected fluctuations in a χ 2 . This means that our fit is as good as it can possibly be
Short-range order and local conservation of quantum numbers in multiparticle production
International Nuclear Information System (INIS)
Le Bellac, M.
1976-01-01
These lectures discuss the implications of the hypotheses of short-range order (SRO) and local conservation of quantum numbers (LCQN) for multiple production of elementary particles at high energies. The consequences of SRO for semi-inclusive correlations and the distribution of rapidity gaps are derived, essentially in the framework of the cluster model. Then the experimental status of local conservation of charge and transverse momentum is reviewed. Finally, by making use of the unitarity relation, it is shown that LCQN has important consequences for the elastic amplitude. The derivation is given both in a model-independent way, and in specific multiperiheral models. (Author)
DEFF Research Database (Denmark)
Nielsen, Anne E. B.; Muschik, Christine A.; Giedke, Geza
2010-01-01
We propose and analyze a multifunctional setup consisting of high-finesse optical cavities, beam splitters, and phase shifters. The basic scheme projects arbitrary photonic two-mode input states onto the subspace spanned by the product of Fock states |n>|n> with n=0,1,2,.... This protocol does no...... is especially attractive as a generalization to many modes allows for distribution and purification of entanglement in networks. In an alternative working mode, the setup allows for quantum nondemolition number resolved photodetection in the optical domain....
International Nuclear Information System (INIS)
Gaidash, A A; Egorov, V I; Gleim, A V
2014-01-01
Quantum cryptography in theory allows distributing secure keys between two users so that any performed eavesdropping attempt would be immediately discovered. However, in practice an eavesdropper can obtain key information from multi-photon states when attenuated laser radiation is used as a source. In order to overcome this possibility, it is generally suggested to implement special cryptographic protocols, like decoy states or SARG04. We present an alternative method based on monitoring photon number statistics after detection. This method can therefore be used with any existing protocol
International Nuclear Information System (INIS)
Kushnirenko, A.N.
1989-01-01
An attempt was made to substantiate statistical physics from the viewpoint of many-body quantum mechanics in the representation of occupation numbers. This approach enabled to develop the variation method for solution of stationary and nonstationary nonequilibrium problems
Zhang, Y. C.; Zhang, J. Z. H.; Kouri, D. J.; Haug, K.; Schwenke, D. W.
1988-01-01
Numerically exact, fully three-dimensional quantum mechanicl reactive scattering calculations are reported for the H2Br system. Both the exchange (H + H-prime Br to H-prime + HBr) and abstraction (H + HBR to H2 + Br) reaction channels are included in the calculations. The present results are the first completely converged three-dimensional quantum calculations for a system involving a highly exoergic reaction channel (the abstraction process). It is found that the production of vibrationally hot H2 in the abstraction reaction, and hence the extent of population inversion in the products, is a sensitive function of initial HBr rotational state and collision energy.
Arjunan, V; Kalaivani, M; Senthilkumari, S; Mohan, S
2013-11-01
The vibrational assignment and analysis of the fundamental modes of the compounds acetoacetanilide (AAA), 2-chloroacetoacetanilide (2CAAA) and 2-methylacetoacetanilide (2MAAA) have been performed. Density functional theory studies have been carried out with B3LYP method utilising 6-311++G(**) and cc-pVTZ basis sets to determine structural, thermodynamic and vibrational characteristics of the compounds and also to understand the influence of chloro and methyl groups on the characteristic frequencies of amide (CONH) group. Intramolecular hydrogen bond exists in acetoacetanilide and o-substituted acetoacetanilide molecules and the N⋯O distance is found to be around 2.7Å. The (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecules were determined and the same have been calculated using the gauge independent atomic orbital (GIAO) method. The energies of the frontier molecular orbitals have been determined. In AAA, 2CAAA and 2MAAA molecules, the nN→πCO(∗) interaction between the nitrogen lone pair and the amide CO antibonding orbital gives strong stabilization of 64.75, 62.84 and 64.18kJmol(-1), respectively. The blue shift in amide-II band of 2MAAA is observed by 45-50cm(-1) than that of AAA. The steric effect of ortho methyl group significantly operating on the NH bond properties. The amide-III, the CN stretching mode of methyl and chloro substituted acetoacetanilide compounds are not affected by the substitution while the amide-V band, the NH out of plane bending mode of 2-chloroacetoacetanilide compound is shifted to a higher frequency than that of AAA. The substituent chlorine plays significantly and the blue shift in o-substituted compounds than the parent in the amide-V vibration is observed. The amide-VI, CO out of plane bending modes of 2MAAA and 2CAAA are significantly raised than that of AAA. A blue shift of amide-VI, CO out of plane bending modes of 2MAAA and 2CAAA than AAA is observed. Copyright © 2013 Elsevier B.V. All rights
Semenov, Alexander; Babikov, Dmitri
2013-11-07
We formulated the mixed quantum/classical theory for rotationally and vibrationally inelastic scattering process in the diatomic molecule + atom system. Two versions of theory are presented, first in the space-fixed and second in the body-fixed reference frame. First version is easy to derive and the resultant equations of motion are transparent, but the state-to-state transition matrix is complex-valued and dense. Such calculations may be computationally demanding for heavier molecules and/or higher temperatures, when the number of accessible channels becomes large. In contrast, the second version of theory requires some tedious derivations and the final equations of motion are rather complicated (not particularly intuitive). However, the state-to-state transitions are driven by real-valued sparse matrixes of much smaller size. Thus, this formulation is the method of choice from the computational point of view, while the space-fixed formulation can serve as a test of the body-fixed equations of motion, and the code. Rigorous numerical tests were carried out for a model system to ensure that all equations, matrixes, and computer codes in both formulations are correct.
International Nuclear Information System (INIS)
Semenov, Alexander; Babikov, Dmitri
2013-01-01
We formulated the mixed quantum/classical theory for rotationally and vibrationally inelastic scattering process in the diatomic molecule + atom system. Two versions of theory are presented, first in the space-fixed and second in the body-fixed reference frame. First version is easy to derive and the resultant equations of motion are transparent, but the state-to-state transition matrix is complex-valued and dense. Such calculations may be computationally demanding for heavier molecules and/or higher temperatures, when the number of accessible channels becomes large. In contrast, the second version of theory requires some tedious derivations and the final equations of motion are rather complicated (not particularly intuitive). However, the state-to-state transitions are driven by real-valued sparse matrixes of much smaller size. Thus, this formulation is the method of choice from the computational point of view, while the space-fixed formulation can serve as a test of the body-fixed equations of motion, and the code. Rigorous numerical tests were carried out for a model system to ensure that all equations, matrixes, and computer codes in both formulations are correct
Abbas, Ashgar; Gökce, Halil; Bahçeli, Semiha
2016-01-05
In this study, the 4-hexyloxy-3-methoxybenzaldehyde compound as one of the derivatives of vanillin which is a well known flavoring agent, C14H20O3, has been investigated by experimentally and extensively utilizing density functional theory (DFT) at the B3LYP/6-311++G(d,p) level. In this context, the optimized geometry, vibrational frequencies, (1)H and (13)C NMR chemical shifts, UV-vis. (in gas phase and in methanol solvent) spectra, HOMO-LUMO analysis, molecular electrostatic potential (MEP), thermodynamic parameters and atomic charges of 4-hexyloxy-3-methoxybenzaldehyde have been calculated. In addition, theoretically predicted IR, Raman and UV-vis. (in gas phase and in methanol solvent) spectra of the mentioned molecule have been constructed. The results calculated were compared with the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.
Jeyaseelan, S. Christopher; Hussain, Shamima; Premkumar, R.; Rekha, T. N.; Benial, A. Milton Franklin
2018-04-01
Indole and its derivatives are considered as good ligands for various disease causing proteins in human because of presence of the single nitrogen atom. In the present study, the potential energy surface scan was performed for the most stable molecular structure of the 5-Methoxyindole-3-carboxaldehyde (MICA) molecule. The most stable molecular structure was optimized by DFT/B3LYP method with 6-311G++ (d, p) basis set using Gaussian 09 program package. The vibrational frequencies were calculated and assigned on the basis of potential energy distribution calculations using VEDA 4.0 program. The Frontier molecular orbitals analysis was performed and related molecular propertieswere calculated. The possible electrophilic and nucleophilic reactive sites of the molecule were studied using molecular electrostatic potential analysis, which confirms the bioactivity of the molecule. The natural bond orbital analysis was also performed to confirm the bioactivity of the title molecule.
Liangjie, Mao; Qingyou, Liu; Shouwei, Zhou
2014-01-01
A considerable number of studies for VIV under the uniform flow have been performed. However, research on VIV under shear flow is scarce. An experiment for VIV under the shear flow with the same shear parameter at the two different Reynolds numbers was conducted in a deep-water offshore basin. Various measurements were obtained by the fiber bragg grating strain sensors. Experimental data were analyzed by modal analysis method. Results show several valuable features. First, the corresponding maximum order mode of the natural frequency for shedding frequency is the maximum dominant vibration mode and multi-modal phenomenon is appeared in VIV under the shear flow, and multi-modal phenomenon is more apparent at the same shear parameter with an increasing Reynolds number under the shear flow effect. Secondly, the riser vibrates at the natural frequency and the dominant vibration frequency increases for the effect of the real-time tension amplitude under the shear flow and the IL vibration frequency is the similar with the CF vibration frequency at the Reynolds number of 1105 in our experimental condition and the IL dominant frequency is twice the CF dominant frequency with an increasing Reynolds number. In addition, the displacement trajectories at the different locations of the riser appear the same shape and the shape is changed at the same shear parameter with an increasing Reynolds number under the shear flow. The diagonal displacement trajectories are observed at the low Reynolds number and the crescent-shaped displacement trajectories appear with an increasing Reynolds number under shear flow in the experiment.
Directory of Open Access Journals (Sweden)
Mao Liangjie
Full Text Available A considerable number of studies for VIV under the uniform flow have been performed. However, research on VIV under shear flow is scarce. An experiment for VIV under the shear flow with the same shear parameter at the two different Reynolds numbers was conducted in a deep-water offshore basin. Various measurements were obtained by the fiber bragg grating strain sensors. Experimental data were analyzed by modal analysis method. Results show several valuable features. First, the corresponding maximum order mode of the natural frequency for shedding frequency is the maximum dominant vibration mode and multi-modal phenomenon is appeared in VIV under the shear flow, and multi-modal phenomenon is more apparent at the same shear parameter with an increasing Reynolds number under the shear flow effect. Secondly, the riser vibrates at the natural frequency and the dominant vibration frequency increases for the effect of the real-time tension amplitude under the shear flow and the IL vibration frequency is the similar with the CF vibration frequency at the Reynolds number of 1105 in our experimental condition and the IL dominant frequency is twice the CF dominant frequency with an increasing Reynolds number. In addition, the displacement trajectories at the different locations of the riser appear the same shape and the shape is changed at the same shear parameter with an increasing Reynolds number under the shear flow. The diagonal displacement trajectories are observed at the low Reynolds number and the crescent-shaped displacement trajectories appear with an increasing Reynolds number under shear flow in the experiment.
International Nuclear Information System (INIS)
Kryzhanovskii, Boris V; Sokolov, G B
2000-01-01
The quasi-energy wave functions of a two-level atom in an electromagnetic field, the state of which represents a superposition of coherent states, were found. The fluorescence spectrum of an atom excited by such a field was investigated. It was shown that a spectral fluorescence mode corresponds to each mode of the quantum-statistical distribution of the field incident on the atom. This means that the number of statistical modes of the incident field may be recorded as the number of data bits of the information carried by the light pulse. (laser applications and other topics in quantum electronics)
The Generalized Coherent State ansatz: Application to quantum electron-vibrational dynamics
Energy Technology Data Exchange (ETDEWEB)
Borrelli, Raffaele, E-mail: raffaele.borrelli@unito.it [DISAFA, Università di Torino, I-10095 Grugliasco (Italy); Gelin, Maxim F. [Departement of Chemistry, Technische Universität München, D-85747 Garching (Germany)
2016-12-20
A new ansatz for molecular vibronic wave functions based on a superposition of time-dependent Generalized Coherent States is developed and analysed. The methodology is specifically tailored to describe the time evolution of the wave function of a system in which several interacting electronic states are coupled to a bath of harmonic oscillators. The equations of motion for the wave packet parameters are obtained by using the Dirac–Frenkel time-dependent variational principle. The methodology is used to describe the quantum dynamical behavior of a model polaron system and its scaling and convergence properties are discussed and compared with numerically exact results.
Note: Fully integrated 3.2 Gbps quantum random number generator with real-time extraction
International Nuclear Information System (INIS)
Zhang, Xiao-Guang; Nie, You-Qi; Liang, Hao; Zhang, Jun; Pan, Jian-Wei; Zhou, Hongyi; Ma, Xiongfeng
2016-01-01
We present a real-time and fully integrated quantum random number generator (QRNG) by measuring laser phase fluctuations. The QRNG scheme based on laser phase fluctuations is featured for its capability of generating ultra-high-speed random numbers. However, the speed bottleneck of a practical QRNG lies on the limited speed of randomness extraction. To close the gap between the fast randomness generation and the slow post-processing, we propose a pipeline extraction algorithm based on Toeplitz matrix hashing and implement it in a high-speed field-programmable gate array. Further, all the QRNG components are integrated into a module, including a compact and actively stabilized interferometer, high-speed data acquisition, and real-time data post-processing and transmission. The final generation rate of the QRNG module with real-time extraction can reach 3.2 Gbps.
Note: Fully integrated 3.2 Gbps quantum random number generator with real-time extraction
Energy Technology Data Exchange (ETDEWEB)
Zhang, Xiao-Guang; Nie, You-Qi; Liang, Hao; Zhang, Jun, E-mail: zhangjun@ustc.edu.cn; Pan, Jian-Wei [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); CAS Center for Excellence and Synergetic Innovation Center in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zhou, Hongyi; Ma, Xiongfeng [Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing 100084 (China)
2016-07-15
We present a real-time and fully integrated quantum random number generator (QRNG) by measuring laser phase fluctuations. The QRNG scheme based on laser phase fluctuations is featured for its capability of generating ultra-high-speed random numbers. However, the speed bottleneck of a practical QRNG lies on the limited speed of randomness extraction. To close the gap between the fast randomness generation and the slow post-processing, we propose a pipeline extraction algorithm based on Toeplitz matrix hashing and implement it in a high-speed field-programmable gate array. Further, all the QRNG components are integrated into a module, including a compact and actively stabilized interferometer, high-speed data acquisition, and real-time data post-processing and transmission. The final generation rate of the QRNG module with real-time extraction can reach 3.2 Gbps.
Pardeshi, Sushma; Dhodapkar, Rita; Kumar, Anupama
2013-12-01
Gallic acid (GA) is known by its antioxidant, anticarcinogenic properties and scavenger activity against several types of harmful free radicals. Molecularly imprinted polymers (MIPs) are used in separation of a pure compound from complex matrices. A stable template-monomer complex generates the MIPs with the highest affinity and selectivity for the template. The quantum chemical computations based on density functional theory (DFT) was used on the template Gallic acid (GA), monomer acrylic acid (AA) and GA-AA complex to study the nature of interactions involved in the GA-AA complex. B3LYP/6-31+G(2d,2p) model chemistry was used to optimize their structures and frequency calculations. The effect of porogen acetonitrile (ACN) on complex formation was included by using polarizable continuum model (PCM). The results demonstrated the formation of a stable GA-AA complex through the intermolecular hydrogen bonding between carboxylic acid groups of GA and AA. The Mulliken atomic charge analysis and simulated vibrational spectra also supported the stable hydrogen bonding interaction between the carboxylic acid groups of GA and AA with minimal interference of porogen ACN. Further, simulations on GA-AA mole ratio revealed that 1:4 GA-AA was optimum for synthesis of MIP for GA.
Arjunan, V.; Marchewka, Mariusz K.; Pietraszko, A.; Kalaivani, M.
2012-11-01
The structural investigations of the molecular complex of 2-methyl-4-nitroaniline with trichloroacetic acid, namely 2-methyl-4-nitroanilinium trichloroacetate trichloroacetic acid (C11H10Cl6N2O6) have been performed by means of single crystal and powder X-ray diffraction method. The complex was formed with accompanying proton transfer from trichloroacetic acid molecule to 2-methyl-4-nitroaniline. The studied crystal is built up of singly protonated 2-methyl-4-nitroanilinium cations, trichloroacetate anions and neutral trichloroacetic acid molecules. The crystals are monoclinic, space group P21/c, with a = 14.947 Å, b = 6.432 Å, c = 19.609 Å and Z = 4. The vibrational assignments and analysis of 2-methyl-4-nitroanilinium trichloroacetate trichloroacetic acid have also been performed by FTIR, FT-Raman and far-infrared spectral studies. More support on the experimental findings were added from the quantum chemical studies performed with DFT (B3LYP) method using 6-31G**, cc-pVDZ, 6-31G and 6-31++G basis sets. The structural parameters, energies, thermodynamic parameters and the NBO charges of 2M4NATCA were also determined by the DFT methods.
International Nuclear Information System (INIS)
Hotta, Ryuuichi; Morozumi, Takuya; Takata, Hiroyuki
2012-01-01
We develop the method analyzing particle number non-conserving phenomena with non-equilibrium quantum field-theory. In this study, we consider a CP violating model with interaction Hamiltonian that breaks particle number conservation. To derive the quantum Boltzmann equation for the particle number, we solve Schwinger-Dyson equation, which are obtained from two particle irreducible closed-time-path (2PI CTP) effective action. In this calculation, we show the contribution from interaction Hamiltonian to the time evolution of expectation value of particle number.
González Cornejo, Felipe A.; Cruchaga, Marcela A.; Celentano, Diego J.
2017-11-01
The present work reports a fluid-rigid solid interaction formulation described within the framework of a fixed-mesh technique. The numerical analysis is focussed on the study of a vortex-induced vibration (VIV) of a circular cylinder at low Reynolds number. The proposed numerical scheme encompasses the fluid dynamics computation in an Eulerian domain where the body is embedded using a collection of markers to describe its shape, and the rigid solid's motion is obtained with the well-known Newton's law. The body's velocity is imposed on the fluid domain through a penalty technique on the embedded fluid-solid interface. The fluid tractions acting on the solid are computed from the fluid dynamic solution of the flow around the body. The resulting forces are considered to solve the solid motion. The numerical code is validated by contrasting the obtained results with those reported in the literature using different approaches for simulating the flow past a fixed circular cylinder as a benchmark problem. Moreover, a mesh convergence analysis is also done providing a satisfactory response. In particular, a VIV problem is analyzed, emphasizing the description of the synchronization phenomenon.
How to implement a quantum algorithm on a large number of qubits by controlling one central qubit
Zagoskin, Alexander; Ashhab, Sahel; Johansson, J. R.; Nori, Franco
2010-03-01
It is desirable to minimize the number of control parameters needed to perform a quantum algorithm. We show that, under certain conditions, an entire quantum algorithm can be efficiently implemented by controlling a single central qubit in a quantum computer. We also show that the different system parameters do not need to be designed accurately during fabrication. They can be determined through the response of the central qubit to external driving. Our proposal is well suited for hybrid architectures that combine microscopic and macroscopic qubits. More details can be found in: A.M. Zagoskin, S. Ashhab, J.R. Johansson, F. Nori, Quantum two-level systems in Josephson junctions as naturally formed qubits, Phys. Rev. Lett. 97, 077001 (2006); and S. Ashhab, J.R. Johansson, F. Nori, Rabi oscillations in a qubit coupled to a quantum two-level system, New J. Phys. 8, 103 (2006).
Rotational and vibrational spectra of ethynol from quantum-mechanical calculations
Defrees, D. J.; Mclean, A. D.
1982-01-01
It is noted that ethynol (HCCOH), despite the theoretical prediction of its stability to tautomerization to ketene, has thus far not been observed. It is shown here that the identification of this unknown molecule, both in space and in the laboratory, can be aided by an ab initio calculation of spectroscopic parameters. At the HF/3-21G level, harmonic vibrational frequencies are computed by way of analytic second differentiation of the Hartee-Fock (HF) energy with respect to the nuclear coordinates. After applying an empirical scale factor, the resultant frequencies are (per cm) 473, 517, 773, 841, 1003, 1217, 2206, 3285, and 3418. The computed dipole moment at the CISD/DZ+P level is 1.79 D. At the CISD+Q/DZ+P level, the molecule's rotational constants are determined. After scaling by empirical correction factors, they are used in deriving the 4(04) - 3(03) frequency of 76.81 + or - 0.3 GHz with a triplet splitting of 0.30 + or - 0.01 GHz. The triplet splitting involves 4(14) - 3(13) and 4(13) - 3(12) relative to the 4(04) - 3(03) transition as the central line.
Global bending quantum number and the absence of monodromy in the HCN-CNH molecule
Efstathiou, K; Joyeux, M; Sadovskií, D. A.
We introduce and analyze a model system based on a deformation of a spherical pendulum that can be used to reproduce large amplitude bending vibrations of flexible triatomic molecules with two stable linear equilibria. On the basis of our model and the recent vibrational potential [ J. Chem. Phys.
Mass-reduced quantum numbers: application to the isotopic lithium hydrides (X1B+)
International Nuclear Information System (INIS)
Li, K.C.; Stwalley, W.C.
1977-01-01
The massed-reduced quantum number (MRQN) method of combining isotopic data is applied to the lithium hydride X 1 Σ + ground state. The ΔG(eta) = μ/sup 1 / 2 / ΔG(v), B(eta) = μB(v) and D(eta) = μ 2 D(v) isotopically-combined functions are obtained. An isotopically-combined Rydberg-Klein Rees (ICRKR) potential is constructed using the G(eta) and B(eta) functions. Evidence for breakdown of the Born-Oppenheimer approximation is presented and examined. The Dunham, Simons-Parr-Finlan, and Thakkar methods of potential expansion are also applied to lithium hydride and compared to the RKR Potential
Isospin quantum number and structure of the excited states in halo nuclei. Halo-isomers
International Nuclear Information System (INIS)
Izosimov, I.N.
2015-01-01
It has been shown that isobar-analog (IAS), double isobar-analog (DIAS), configuration (CS), and double configuration states (DCS) can simultaneously have n-n, n-p, and p-p halo components in their wave functions. Differences in halo structure of the excited and ground states can result in the formation of isomers (halo-isomers). Both the Borromean and tango halo types can be observed for n-p configurations of atomic nuclei. The structure of the ground and excited states with different isospin quantum number in halo-like nuclei is discussed. B(Mλ) and B(Eλ) for γ-transitions in 6-8 Li, 8-10 Be, 8,10,11 B, 10-14 C, 13-17 N, 15-17,19 O, and 17 F are analyzed. Special attention is given to nuclei whose ground state does not exhibit halo structure, but the excited state may have one.
Energy Technology Data Exchange (ETDEWEB)
Kawamura, T.; Nakao, T.; Takahashi, M.; Hayashi, M.; Goto, N. [Hitachi, Ltd., Tokyo (Japan)
1999-07-25
Vortex-induced vibrations were measured for a circular cylinder subjected to a water cross flow at supercritical Reynolds numbers for a wide range of reduced velocities. Turbulence intensities were changed from 1% to 13% in order to investigate the effect of the Strouhal number on the region of synchronization by symmetrical and Karman vortex shedding. The reduced damping of the test cylinder was about 0.1 in water. The surface roughness of the cylinder was a mirror-polished surface. Strouhal number decreased from about 0.48 to 0.29 with increasing turbulence intensity. Synchronized vibrations were observed even at supercritical Reynolds numbers where fluctuating fluid force was small. Reduced velocities at which drag and lift direction lock-in by Karman vortex shedding were initiated decreased with increasing Strouhal number. When Strouhal number was about 0.29, the self-excited vibration in drag direction by symmetrical vortex shedding began at which the frequency ratio of Karman vortex shedding frequency to the natural frequency of cylinder was 0.32. (author)
Directory of Open Access Journals (Sweden)
Yusuf Yesilce
2012-01-01
Full Text Available In the existing reports regarding free and forced vibrations of the beams, most of them studied a uniform beam carrying various concentrated elements using Bernoulli-Euler Beam Theory (BET but without axial force. The purpose of this paper is to utilize the numerical assembly technique to determine the exact frequency-response amplitudes of the axially-loaded Timoshenko multi-span beam carrying a number of various concentrated elements (including point masses, rotary inertias, linear springs and rotational springs and subjected to a harmonic concentrated force and the exact natural frequencies and mode shapes of the beam for the free vibration analysis. The model allows analyzing the influence of the shear and axial force and harmonic concentrated force effects and intermediate concentrated elements on the dynamic behavior of the beams by using Timoshenko Beam Theory (TBT. At first, the coefficient matrices for the intermediate concentrated elements, an intermediate pinned support, applied harmonic force, left-end support and right-end support of Timoshenko beam are derived. After the derivation of the coefficient matrices, the numerical assembly technique is used to establish the overall coefficient matrix for the whole vibrating system. Finally, solving the equations associated with the last overall coefficient matrix one determines the exact dynamic response amplitudes of the forced vibrating system corresponding to each specified exciting frequency of the harmonic force. Equating the determinant of the overall coefficient matrix to zero one determines the natural frequencies of the free vibrating system (the case of zero harmonic force and substituting the corresponding values of integration constants into the related eigenfunctions one determines the associated mode shapes. The calculated vibration amplitudes of the forced vibrating systems and the natural frequencies of the free vibrating systems are given in tables for different values of
Micropillars with a controlled number of site-controlled quantum dots
Kaganskiy, Arsenty; Gericke, Fabian; Heuser, Tobias; Heindel, Tobias; Porte, Xavier; Reitzenstein, Stephan
2018-02-01
We report on the realization of micropillars with site-controlled quantum dots (SCQDs) in the active layer. The SCQDs are grown via the buried stressor approach which allows for the positioned growth and device integration of a controllable number of QDs with high optical quality. This concept is very powerful as the number and the position of SCQDs in the cavity can be simultaneously controlled by the design of the buried-stressor. The fabricated micropillars exhibit a high degree of position control for the QDs above the buried stressor and Q-factors of up to 12 000 at an emission wavelength of around 930 nm. We experimentally analyze and numerically model the cavity Q-factor, the mode volume, the Purcell factor, and the photon-extraction efficiency as a function of the aperture diameter of the buried stressor. Exploiting these SCQD micropillars, we experimentally observe a Purcell enhancement in the single-QD regime with FP = 4.3 ± 0.3.
Berube-Lauziere, Yves
The measurement-based quantum feedback scheme developed and implemented by Haroche and collaborators to actively prepare and stabilize specific photon number states in cavity quantum electrodynamics (CQED) is a milestone achievement in the active protection of quantum states from decoherence. This feat was achieved by injecting, after each weak dispersive measurement of the cavity state via Rydberg atoms serving as cavity sensors, a low average number classical field (coherent state) to steer the cavity towards the targeted number state. This talk will present the generalization of the theory developed for targeting number states in order to prepare and stabilize desired superpositions of two cavity photon number states. Results from realistic simulations taking into account decoherence and imperfections in a CQED set-up will be presented. These demonstrate the validity of the generalized theory and points to the experimental feasibility of preparing and stabilizing such superpositions. This is a further step towards the active protection of more complex quantum states than number states. This work, cast in the context of CQED, is also almost readily applicable to circuit QED. YBL acknowledges financial support from the Institut Quantique through a Canada First Research Excellence Fund.
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.
Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco
2018-03-01
Full-dimensional vibrational spectra are calculated for both X-(H2O) and X-(D2O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.
Energy Technology Data Exchange (ETDEWEB)
Kaiser, Uwe; Jimenez de Aberasturi, Dorleta; Vázquez-González, Margarita; Carrillo-Carrion, Carolina; Niebling, Tobias; Parak, Wofgang J.; Heimbrodt, Wolfram, E-mail: Wolfram.Heimbrodt@physik.uni-marburg.de [Department of Physics and Material Sciences Center, Philipps-University Marburg, Renthof 5, D-35032 Marburg (Germany)
2015-01-14
Semiconductor quantum dots functionalized with organic dye molecules are important tools for biological sensor applications. Energy transfer between the quantum dot and the attached dyes can be utilized for sensing. Though important, the determination of the real number of dye molecules attached per quantum dot is rather difficult. In this work, a method will be presented to determine the number of ATTO-590 dye molecules attached to CdSe/ZnS quantum dots based on time resolved spectral analysis. The energy transfer from the excited quantum dot to the attached ATTO-590 dye leads to a reduced lifetime of the quantum dot's excitons. The higher the concentration of dye molecules, the shorter the excitonic lifetime becomes. However, the number of dye molecules attached per quantum dot will vary. Therefore, for correctly explaining the decay of the luminescence upon photoexcitation of the quantum dot, it is necessary to take into account the distribution of the number of dyes attached per quantum dot. A Poisson distribution of the ATTO-590 dye molecules not only leads to excellent agreement between experimental and theoretical decay curves but also additionally yields the average number of dye molecules attached per quantum dot. In this way, the number of dyes per quantum dot can be conveniently determined.
Fast reconstruction of high-qubit-number quantum states via low-rate measurements
Li, K.; Zhang, J.; Cong, S.
2017-07-01
Due to the exponential complexity of the resources required by quantum state tomography (QST), people are interested in approaches towards identifying quantum states which require less effort and time. In this paper, we provide a tailored and efficient method for reconstructing mixed quantum states up to 12 (or even more) qubits from an incomplete set of observables subject to noises. Our method is applicable to any pure or nearly pure state ρ and can be extended to many states of interest in quantum information processing, such as a multiparticle entangled W state, Greenberger-Horne-Zeilinger states, and cluster states that are matrix product operators of low dimensions. The method applies the quantum density matrix constraints to a quantum compressive sensing optimization problem and exploits a modified quantum alternating direction multiplier method (quantum-ADMM) to accelerate the convergence. Our algorithm takes 8 ,35 , and 226 seconds, respectively, to reconstruct superposition state density matrices of 10 ,11 ,and12 qubits with acceptable fidelity using less than 1 % of measurements of expectation. To our knowledge it is the fastest realization that people can achieve using a normal desktop. We further discuss applications of this method using experimental data of mixed states obtained in an ion trap experiment of up to 8 qubits.
Black hole bound on the number of species and quantum gravity at CERN LHC
International Nuclear Information System (INIS)
Dvali, Gia; Redi, Michele
2008-01-01
In theories with a large number N of particle species, black hole physics imposes an upper bound on the mass of the species equal to M Planck /√(N). This bound suggests a novel solution to the hierarchy problem in which there are N≅10 32 gravitationally coupled species, for example 10 32 copies of the standard model. The black hole bound forces them to be at the weak scale, hence providing a stable hierarchy. We present various arguments, that in such theories the effective gravitational cutoff is reduced to Λ G ≅M Planck /√(N) and a new description is needed around this scale. In particular, black holes smaller than Λ G -1 are already no longer semiclassical. The nature of the completion is model dependent. One natural possibility is that Λ G is the quantum gravity scale. We provide evidence that within this type of scenarios, contrary to the standard intuition, micro-black-holes have a (slowly fading) memory of the species of origin. Consequently, the black holes produced at LHC will predominantly decay into the standard model particles, and negligibly into the other species
Maity, H.; Biswas, A.; Bhattacharjee, A. K.; Pal, A.
In this paper, we have proposed the design of quantum cost (QC) optimized 4-bit reversible universal shift register (RUSR) using reduced number of reversible logic gates. The proposed design is very useful in quantum computing due to its low QC, less no. of reversible logic gate and less delay. The QC, no. of gates, garbage outputs (GOs) are respectively 64, 8 and 16 for proposed work. The improvement of proposed work is also presented. The QC is 5.88% to 70.9% improved, no. of gate is 60% to 83.33% improved with compared to latest reported result.
International Nuclear Information System (INIS)
Cohendet, O.
1989-01-01
We consider a quantum system with a finite number N of states and we show that a Markov process evolving in an 'extended' discrete phase can be associated with the discrete Wigner function of the system. This Wigner function is built using the Weyl quantization procedure on the group Z N xZ N . Moreover we can use this process to compute the quantum mean values as probabilistic expectations of functions of this process. This probabilistic formulation can be seen as a stochastic mechanics in phase space. (orig.)
Kenkre, V. M.; Chase, M.
2017-08-01
The approach to equilibrium of a quantum mechanical system in interaction with a bath is studied from a practical as well as a conceptual point of view. Explicit memory functions are derived for given models of bath couplings. If the system is a harmonic oscillator representing a molecule in interaction with a reservoir, the generalized master equation derived becomes an extension into the coherent domain of the well-known Montroll-Shuler equation for vibrational relaxation and unimolecular dissociation. A generalization of the Bethe-Teller result regarding energy relaxation is found for short times. The theory has obvious applications to relaxation dynamics at ultra-short times as in observations on the femtosecond time scale and to the investigation of quantum coherence at those short times. While vibrational relaxation in chemical physics is a primary target of the study, another system of interest in condensed matter physics, an electron or hole in a lattice subjected to a strong DC electric field that gives rise to well-known Wannier-Stark ladders, is naturally addressed with the theory. Specific system-bath interactions are explored to obtain explicit details of the dynamics. General phenomenological descriptions of the reservoir are considered rather than specific microscopic realizations.
International Nuclear Information System (INIS)
Christian, George M.; Hammersley, Simon; Davies, Matthew J.; Dawson, Philip; Kappers, Menno J.; Massabuau, Fabien C.P.; Oliver, Rachel A.; Humphreys, Colin J.
2016-01-01
We report on the effects of varying the number of quantum wells (QWs) in an InGaN/GaN multiple QW (MQW) structure containing a 23 nm thick In0.05Ga0.95N prelayer doped with Si. The calculated conduction and valence bands for the structures show an increasing total electric field across the QWs with increasing number of QWs. This is due to the reduced strength of the surface polarisation field, which opposes the built-in field across the QWs, as its range is increased over thicker samples. Low temperature photoluminescence (PL) measurements show a red shifted QW emission peak energy, which is attributed to the enhanced quantum confined Stark effect with increasing total field strength across the QWs. Low temperature PL time decay measurements and room temperature internal quantum efficiency (IQE) measurements show decreasing radiative recombination rates and decreasing IQE, respectively, with increasing number of QWs. These are attributed to the increased spatial separation of the electron and hole wavefunctions, consistent with the calculated band profiles. It is also shown that, for samples with fewer QWs, the reduction of the total field across the QWs makes the radiative recombination rate sufficiently fast that it is competitive with the efficiency losses associated with the thermal escape of carriers. (copyright 2016 The Authors. Phys. Status Solidi C published by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
DEFF Research Database (Denmark)
Engelund, Mads
Denne afhandling beskriver teoretisk og numerisk arbejde, som undersøger indflydelsen af vibrationer på varmetransport og strøm i realistiske nanoskala systemer. Den vigtigste og mest tidskrævende del af dette arbejde har været at designe og implementere en praktisk metode til at beregne vibratio...
Bradley, D I; Clubb, D O; Fisher, S N; Guénault, A M; Haley, R P; Matthews, C J; Pickett, G R; Tsepelin, V; Zaki, K
2005-07-15
We report a transition in the vorticity generated by a grid moving in the B phase of superfluid 3He at Tring production at low grid velocities to quantum turbulence at higher velocities and that independent isolated vortex rings provide the precursors to the developed turbulence. Furthermore we believe that this may be a feature of all quantum turbulence arising from repetitive mechanical agitation.
Increased coincidence detection for quantum versus pseudo-generated random numbers
Boshoff, Lieze; Jolij, Jacob
2015-01-01
People often see meaning in stimuli that are typically considered meaningless. According to Von Lucadou’s idea of Generalized Quantum Teory (GQT), such perceived coincidences, or examples of synchronicity, may be the result of entanglement between a conscious observer and the physical world. Here we
Malik, Pragati; Kakkar, Rita
2018-04-01
A computational study on the structural and electronic properties of a special class of artificial atoms, known as quantum dots, has been carried out. These are semiconductors with unique optical and electronic properties and have been widely used in various applications, such as bio-sensing, bio-imaging, and so on. We have considered quantum dots belonging to II-VI types of semiconductors, due to their wide band gap, possession of large exciton binding energies and unique optical and electronic properties. We have studied their applications as chemical ion sensors by beginning with the study of the ion sensing ability of (CdSe) n ( n = 3, 6, 9 which are in the size range of 0.24, 0.49, 0.74 nm, respectively) quantum dots for cations of the zinc triad, namely Zn2+, Cd2+, Hg2+, and various anions of biological and environmental importance, and studied the effect of increasing number of rings on their ion sensing ability. The various structural, electronic, and optical properties, their interaction energies, and charge transfer on interaction with metal ions and anions have been calculated and reported. Our studies indicate that the CdSe quantum dots can be employed as sensors for both divalent cations and anions, but they can sense cations better than anions.
Al-Khalili, Jim
2003-01-01
In this lively look at quantum science, a physicist takes you on an entertaining and enlightening journey through the basics of subatomic physics. Along the way, he examines the paradox of quantum mechanics--beautifully mathematical in theory but confoundingly unpredictable in the real world. Marvel at the Dual Slit experiment as a tiny atom passes through two separate openings at the same time. Ponder the peculiar communication of quantum particles, which can remain in touch no matter how far apart. Join the genius jewel thief as he carries out a quantum measurement on a diamond without ever touching the object in question. Baffle yourself with the bizzareness of quantum tunneling, the equivalent of traveling partway up a hill, only to disappear then reappear traveling down the opposite side. With its clean, colorful layout and conversational tone, this text will hook you into the conundrum that is quantum mechanics.
Diestler, D J; Jia, D; Manz, J; Yang, Y
2018-03-01
The theory of concerted electronic and nuclear flux densities associated with the vibration and dissociation of a multielectron nonrotating homonuclear diatomic molecule (or ion) in an electronic state 2S+1 Σ g,u + (JM = 00) is presented. The electronic population density, nuclear probability density, and nuclear flux density are isotropic. A theorem of Barth , presented in this issue, shows that the electronic flux density (EFD) is also isotropic. Hence, the evolving system appears as a pulsating, or exploding, "quantum bubble". Application of the theory to Na 2 vibrating in the double-minimum potential of the 2 1 Σ u + (JM = 00) excited state reveals that the EFD consists of two antagonistic components. One arises from electrons that flow essentially coherently with the nuclei. The other, which is oppositely directed (i.e., antagonistic) and more intense, is due to the transition in electronic structure from "Rydberg" to "ionic" type as the nuclei traverse the potential barrier between inner and outer potential wells. This "transition" component of the EFD rises and falls sharply as the nuclei cross the barrier.
Sebastianelli, Francesco; Xu, Minzhong; Bačić, Zlatko
2008-12-01
We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H2 (p-H2) and ortho-D2 (o-D2) molecules inside the large hexakaidecahedral (51264) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H2)n and (o-D2)n clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H2)4. At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H2 or D2 molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D2 molecules, their mean distance from the cage center, the D2-D2 separation, and the specific orientation and localization of the tetrahedral (D2)4 cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D2 occupancy.
An On-Demand Optical Quantum Random Number Generator with In-Future Action and Ultra-Fast Response.
Stipčević, Mario; Ursin, Rupert
2015-06-09
Random numbers are essential for our modern information based society e.g. in cryptography. Unlike frequently used pseudo-random generators, physical random number generators do not depend on complex algorithms but rather on a physical process to provide true randomness. Quantum random number generators (QRNG) do rely on a process, which can be described by a probabilistic theory only, even in principle. Here we present a conceptually simple implementation, which offers a 100% efficiency of producing a random bit upon a request and simultaneously exhibits an ultra low latency. A careful technical and statistical analysis demonstrates its robustness against imperfections of the actual implemented technology and enables to quickly estimate randomness of very long sequences. Generated random numbers pass standard statistical tests without any post-processing. The setup described, as well as the theory presented here, demonstrate the maturity and overall understanding of the technology.
Henriet, Loïc; Sclocchi, Antonio; Orth, Peter P.; Le Hur, Karyn
2017-02-01
We analyze the topological deformations of the ground state manifold of a quantum spin-1/2 in a magnetic field H =H (sinθ cosϕ ,sinθ sinϕ ,cosθ ) induced by a coupling to an ohmic quantum dissipative environment at zero temperature. From Bethe ansatz results and a variational approach, we confirm that the Chern number associated with the geometry of the reduced spin ground state manifold is preserved in the delocalized phase for α <1 . We report a divergence of the Berry curvature at αc=1 for magnetic fields aligned along the equator θ =π /2 . This divergence is caused by the complete quenching of the transverse magnetic field by the bath associated with a gap closing that occurs at the localization Kosterlitz-Thouless quantum phase transition in this model. Recent experiments in quantum circuits have engineered nonequilibrium protocols to access topological properties from a measurement of a dynamical Chern number defined via the out-of-equilibrium spin expectation values. Applying a numerically exact stochastic Schrödinger approach we find that, for a fixed field sweep velocity θ (t )=v t , the bath induces a crossover from (quasi)adiabatic to nonadiabatic dynamical behavior when the spin bath coupling α increases. We also investigate the particular regime H /ωc≪v /H ≪1 with large bath cutoff frequency ωc, where the dynamical Chern number vanishes already at α =1 /2 . In this regime, the mapping to an interacting resonance level model enables us to analytically describe the behavior of the dynamical Chern number in the vicinity of α =1 /2 . We further provide an intuitive physical explanation of the bath-induced breakdown of adiabaticity in analogy to the Faraday effect in electromagnetism. We demonstrate that the driving of the spin leads to the production of a large number of bosonic excitations in the bath, which strongly affect the spin dynamics. Finally, we quantify the spin-bath entanglement and formulate an analogy with an effective
Shaltout, I; Mohamed, Tarek A
2007-06-01
Chozen system of tellurite glasses doped with rare earth oxides (95% alpha-TeO(2)+5% Sm2O3) was prepared by melt quenching. Consequently, the Raman spectrum (150-1250 cm(-1)) of the modified tellurite have been recorded. As a continuation to our normal coordinate analysis, force constants and quantum mechanical (QM) calculations for tbp TeO4(4-) (triagonal bipyramid, C(2v)) and TeO(3+1); Te2O7(6-) (bridged tetrahedral), we have carried out ab initio frequency calculations for tpy TeO3(2-) (triagonal pyramidal, C(3v) and C(s)) and tp TeO3(2-) (triagonal planar, D(3h)) ions. The quantum mechanical calculations at the levels of RHF, B3LYP and MP2 allow confident vibrational assignments and structural identification in the binary oxide glass (95% alpha-TeO2 +5% Sm2O3). The dominant three-dimensional network structures in the modified glass are triagonal pyramidal TeO3 with minor features of short range distorted tbp TeO4 and bridged tetrahedral unit of TeO(3+1), leading to a structure of infinite chain. Therefore, alpha-TeO2/Sm2O3 (95/5%) glass experience structural changes from TeO4 (tbp); Te2O7 (TeO(3+1))-->TeO3 (tpy).
Sangeetha, V.; Govindarajan, M.; Kanagathara, N.; Marchewka, M. K.; Gunasekaran, S.; Anbalagan, G.
Melaminium bis(trifluoroacetate) trihydrate (MTFA), an organic material has been synthesized and single crystals of MTFA have been grown by the slow solvent evaporation method at room temperature. X-ray powder diffraction analysis confirms that MTFA crystal belongs to the monoclinic system with space group P2/c. The molecular geometry, vibrational frequencies and intensity of the vibrational bands have been interpreted with the aid of structure optimization based on density functional theory (DFT) B3LYP method with 6-311G(d,p) and 6-311++G(d,p) basis sets. The X-ray diffraction data have been compared with the data of optimized molecular structure. The theoretical results show that the crystal structure can be reproduced by optimized geometry and the vibrational frequencies show good agreement with the experimental values. The nuclear magnetic resonance (NMR) chemical shift of the molecule has been calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. HOMO-LUMO, and other related molecular and electronic properties are calculated. The Mulliken and NBO charges have also been calculated and interpreted.
Quantum Hall effect with small numbers of vortices in Bose-Einstein condensates
Byrnes, Tim; Dowling, Jonathan P.
2015-08-01
When vortices are displaced in Bose-Einstein condensates (BECs), the Magnus force gives the system a momentum transverse in the direction to the displacement. We show that BECs in long channels with vortices exhibit a quantization of the current response with respect to the spatial vortex distribution. The quantization originates from the well-known topological property of the phase around a vortex; it is an integer multiple of 2 π . In a way similar to that of the integer quantum Hall effect, the current along the channel is related to this topological phase and can be extracted from two experimentally measurable quantities: the total momentum of the BEC and the spatial distribution. The quantization is in units of m /2 h , where m is the mass of the atoms and h is Planck's constant. We derive an exact vortex momentum-displacement relation for BECs in long channels under general circumstances. Our results present the possibility that the configuration described here can be used as a novel way of measuring the mass of the atoms in the BEC using a topological invariant of the system. If an accurate determination of the plateaus are experimentally possible, this gives the possibility of a topological quantum mass standard and precise determination of the fine structure constant.
Bianco, Raffaello; Errea, Ion; Calandra, Matteo; Mauri, Francesco
2018-06-01
We study the structural and vibrational properties of the high-temperature superconducting sulfur trihydride and trideuteride in the high-pressure I m 3 ¯m and R 3 m phases by first-principles density-functional-theory calculations. On lowering pressure, the rhombohedral transition I m 3 ¯m →R 3 m is expected, with hydrogen-bond desymmetrization and occurrence of trigonal lattice distortion. With both Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) exchange-correlation functional, in hydrostatic conditions we find that, contrary to what is suggested in some recent experiments, if the rhombohedral distortion exists it affects mainly the hydrogen bonds, whereas the resulting cell distortion is minimal. We estimate that the occurrence of a stress anisotropy of approximately 10 % could explain this discrepancy. Assuming hydrostatic conditions, we calculate the critical pressure at which the rhombohedral transition occurs. Quantum and anharmonic effects, which are relevant in this system, are included at nonperturbative level with the stochastic self-consistent harmonic approximation. Within this approach, we determine the transition pressure by calculating the free-energy Hessian, a method that allows to estimate the critical pressure with much higher precision (and much lower computational cost) compared with the free-energy "finite-difference" approach previously used. Using PBE and BLYP, we find that quantum anharmonic effects are responsible for a strong reduction of the critical pressure with respect to the one obtained with the classical harmonic approach. Interestingly, for the two functionals, even if the transition pressures at classical harmonic level differ by 83 GPa, the transition pressures including quantum anharmonic effects differ only by 23 GPa. Moreover, we observe a prominent isotope effect, as we estimate higher transition pressure for D3S than for H3S . Finally, within the stochastic self-consistent harmonic approximation, with PBE
Lebedieva, Tetiana; Gubanov, Victor; Dovbeshko, Galyna; Pidhirnyi, Denys
2015-12-01
Different notations of graphene irreducible representations and optical modes could be found in the literature. The goals of this paper are to identify the correspondence between available notations, to calculate the optical modes of graphene in different points of the Brillouin zone, and to compare them with experimental data obtained by Raman and coherent anti-Stokes Raman scattering (CARS) spectroscopy. The mechanism of the resonance enhancement of vibration modes of the molecules adsorbed on graphene in CARS experiments is proposed. The possibility of appearance of the discrete breathing modes is discussed.
Molotkov, S. N.
2017-03-01
Various methods for the clustering of photocounts constituting a sequence of random numbers are considered. It is shown that the clustering of photocounts resulting in the Fermi-Dirac distribution makes it possible to achieve the theoretical limit of the random number generation rate.
DEFF Research Database (Denmark)
Hansen, Bjarke Knud Vilster; Møller, Søren; Spanget-Larsen, Jens
2006-01-01
than 40 vibrational transitions. The observed IR wavenumbers, relative intensities, and polarization directions were generally well reproduced by the results of a harmonic analysis based on B3LYP/cc-pVTZ density functional theory (DFT). The combined experimental and theoretical results led to proposal...... of a nearly complete assignment of the IR active fundamentals of DPB, involving reassignment of a number of transitions. In addition, previously published Raman spectra of DPB were well predicted by the B3LYP/cc-pVTZ calculations....
He, Haixiang; Zhu, Weimin; Su, Wenli; Dong, Lihui; Li, Bin
2018-03-08
The H + + H 2 reaction and its isotopic variants as the simplest triatomic ion-molecule reactive system have been attracting much interests, however there are few studies on the titled reaction at state-to-state level until recent years. In this work, accurate state-to-state quantum dynamics studies of the titled reaction have been carried out by a reactant Jacobi coordinate-based time-dependent wave packet approach on diabatic potential energy surfaces constructed by Kamisaka et al. Product ro-vibrational state-resolved information has been calculated for collision energies up to 0.2 eV with maximal total angular momentum J = 40. The necessity of including all K-component for accounting the Coriolis coupling for the reaction has been illuminated. Competitions between the two product channels, (D + + HD' → D' + + HD and D + + HD' → H + + DD') were investigated. Total integral cross sections suggest that resonances enhance the reactivity of channel D + + HD'→ H + + DD', however, resonances depress the reactivity of the another channel D + + HD' → D' + + HD. The structures of the differential cross sections are complicated and depend strongly on collision energies of the two channels and also on the product rotational states. All of the product ro-vibrational state-resolved differential cross sections for this reaction do not exhibit rigorous backward-forward symmetry which may indicate that the lifetimes of the intermediate resonance complexes should not be that long. The dynamical observables of this deuterated isotopic reaction are quite different from the reaction of H + + H 2 → H 2 + H + reported previously.
García-Vela, A; Janda, K C
2006-01-21
Wave-packet simulations of the Ne-Br2(B,upsilon') vibrational predissociation dynamics in the range upsilon' = 16-29 are reported. The aim is to interpret recent time-dependent pump-probe experiments [Cabrera et al., J. Chem. Phys. 123, 054311 (2005)]. Good agreement is found between the calculated and the experimental lifetimes corresponding to decay of the Ne-Br2(B,upsilon') initial state and to appearance of Br2(B,upsilonBr2(B,upsilonBr2(B,upsilonBr2 distances greater than 15 angstroms. In the light of the results, a structure of the spectrum of continuum resonances is suggested and discussed.
Arjunan, V; Rani, T; Santhanam, R; Mohan, S
2012-10-01
The FT-IR and FT-Raman spectra of H bond inner conformer of 2,3-epoxypropanol have been recorded in the regions 3700-400 and 3700-100 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The normal coordinate analysis was carried out to confirm the precision of the assignments. The structure of the conformers H bond inner and H bond outer1 were optimised and the structural characteristics were determined by density functional theory (DFT) using B3LYP and MP2 methods with 6-31G** and 6-311++G** basis sets. The vibrational frequencies were calculated in all these methods and were compared with the experimental frequencies which yield good agreement between observed and calculated frequencies. The electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Copyright © 2012 Elsevier B.V. All rights reserved.
Quantum mechanics with p-adic numbers for p-edestrian
International Nuclear Information System (INIS)
Meurice, Y.
1989-01-01
This paper reports that the notion of large and small is important for physical reasoning. In most situations, this notion is adequately characterized by the usual absolute value. The p-adic valuations give alternative definitions of this notion. As far as rational numbers are involved, there are no other non-trivial possibilities (Ostrowski's theorem). Few years ago, Nambu suggested to use finite fields (or rings) as a tool to formulate lattice theories. We will show later that a certain class of functions over the p-adic numbers are in fact functions over finite rings. There has been recent interest among physicists in using p-adic numbers. A particularly interesting result was obtained by Freund and Witten relating the symmetrized Veneziano amplitude and its p-adic analogs. This initiated the 'adelic' approach, which roughly speaking means that each p-adic analog contains a bit of the information of the physically relevant quantity. Up to now, the use of p-adic numbers has not shed any light on unsolved problems. However, the fact that some physical theories can be reformulated consistently when some variables are p-adic is quite fascinating and deserves more exploration
International Nuclear Information System (INIS)
Honig, W.M.
1976-01-01
The mapping of axioms into transfinite number fields provides a method whereby axioms and the magnitudes of experimental values can be distinguished in a clear manner. This procedure is shown also to result in a logical interpretation for the presence of exponential forms and for their imaginary arguments. (author)
Quantum numbers of the $X(3872)$ state and orbital angular momentum in its $\\rho^0 J/\\psi$ decays
Aaij, Roel; Adinolfi, Marco; Affolder, Anthony; Ajaltouni, Ziad; Akar, Simon; Albrecht, Johannes; Alessio, Federico; Alexander, Michael; Ali, Suvayu; Alkhazov, Georgy; Alvarez Cartelle, Paula; Alves Jr, Antonio Augusto; Amato, Sandra; Amerio, Silvia; Amhis, Yasmine; An, Liupan; Anderlini, Lucio; Anderson, Jonathan; Andreotti, Mirco; Andrews, Jason; Appleby, Robert; Aquines Gutierrez, Osvaldo; Archilli, Flavio; d'Argent, Philippe; Artamonov, Alexander; Artuso, Marina; Aslanides, Elie; Auriemma, Giulio; Baalouch, Marouen; Bachmann, Sebastian; Back, John; Badalov, Alexey; Baesso, Clarissa; Baldini, Wander; Barlow, Roger; Barschel, Colin; Barsuk, Sergey; Barter, William; Batozskaya, Varvara; Battista, Vincenzo; Bay, Aurelio; Beaucourt, Leo; Beddow, John; Bedeschi, Franco; Bediaga, Ignacio; Bel, Lennaert; Belyaev, Ivan; Ben-Haim, Eli; Bencivenni, Giovanni; Benson, Sean; Benton, Jack; Berezhnoy, Alexander; Bernet, Roland; Bertolin, Alessandro; Bettler, Marc-Olivier; van Beuzekom, Martinus; Bien, Alexander; 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Stroili, Roberto; Sun, Liang; Sutcliffe, William; Swientek, Krzysztof; Swientek, Stefan; Syropoulos, Vasileios; Szczekowski, Marek; Szczypka, Paul; Szumlak, Tomasz; T'Jampens, Stephane; Tekampe, Tobias; Teklishyn, Maksym; Tellarini, Giulia; Teubert, Frederic; Thomas, Christopher; Thomas, Eric; van Tilburg, Jeroen; Tisserand, Vincent; Tobin, Mark; Todd, Jacob; Tolk, Siim; Tomassetti, Luca; Tonelli, Diego; Topp-Joergensen, Stig; Torr, Nicholas; Tournefier, Edwige; Tourneur, Stephane; Trabelsi, Karim; Tran, Minh Tâm; Tresch, Marco; Trisovic, Ana; Tsaregorodtsev, Andrei; Tsopelas, Panagiotis; Tuning, Niels; Ukleja, Artur; Ustyuzhanin, Andrey; Uwer, Ulrich; Vacca, Claudia; Vagnoni, Vincenzo; Valenti, Giovanni; Vallier, Alexis; Vazquez Gomez, Ricardo; Vazquez Regueiro, Pablo; Vázquez Sierra, Carlos; Vecchi, Stefania; Velthuis, Jaap; Veltri, Michele; Veneziano, Giovanni; Vesterinen, Mika; Viaud, Benoit; Vieira, Daniel; Vieites Diaz, Maria; Vilasis-Cardona, Xavier; Vollhardt, Achim; Volyanskyy, Dmytro; Voong, David; Vorobyev, Alexey; Vorobyev, Vitaly; Voß, Christian; de Vries, Jacco; Waldi, Roland; Wallace, Charlotte; Wallace, Ronan; Walsh, John; Wandernoth, Sebastian; Wang, Jianchun; Ward, David; Watson, Nigel; Websdale, David; Weiden, Andreas; Whitehead, Mark; Wiedner, Dirk; Wilkinson, Guy; Wilkinson, Michael; Williams, Mark Richard James; Williams, Matthew; Williams, Mike; Wilson, Fergus; Wimberley, Jack; Wishahi, Julian; Wislicki, Wojciech; Witek, Mariusz; Wormser, Guy; Wotton, Stephen; Wright, Simon; Wyllie, Kenneth; Xie, Yuehong; Xu, Zhirui; Yang, Zhenwei; Yuan, Xuhao; Yushchenko, Oleg; Zangoli, Maria; Zavertyaev, Mikhail; Zhang, Liming; Zhang, Yanxi; Zhelezov, Alexey; Zhokhov, Anatoly; Zhong, Liang
2015-07-30
Angular correlations in $B^+\\to X(3872) K^+$ decays, with $X(3872)\\to \\rho^0 J/\\psi$, $\\rho^0\\to\\pi^+\\pi^-$ and $J/\\psi \\to\\mu^+\\mu^-$, are used to measure orbital angular momentum contributions and to determine the $J^{PC}$ value of the $X(3872)$ meson. The data correspond to an integrated luminosity of 3.0 fb$^{-1}$ of proton-proton collisions collected with the LHCb detector. This determination, for the first time performed without assuming a value for the orbital angular momentum, confirms the quantum numbers to be $J^{PC}=1^{++}$. The $X(3872)$ is found to decay predominantly through S wave and an upper limit of $4\\%$ at $95\\%$ C.L. is set on the fraction of D wave.
International Nuclear Information System (INIS)
Megow, Joerg; Kulesza, Alexander; Qu Zhengwang; Ronneberg, Thomas; Bonacic-Koutecky, Vlasta; May, Volkhard
2010-01-01
Graphical abstract: Structure of a single Pheo (green: C-atoms, blue: N-atoms, red; O-atoms, light grey: H-atoms). - Abstract: Linear absorption spectra of a single Pheophorbid-a molecule (Pheo) dissolved in ethanol are calculated in a mixed quantum-classical approach. In this computational scheme the absorbance is mainly determined by the time-dependent fluctuations of the energy gap between the Pheo ground and excited electronic state. The actual magnitude of the energy gap is caused by the electrostatic solvent solute coupling as well as by contributions due to intra Pheo vibrations. For the latter a new approach is proposed which is based on precalculated potential energy surfaces (PES) described in a harmonic approximation. To get the respective nuclear equilibrium configurations and Hessian matrices of the two involved electronic states we carried out the necessary electronic structure calculations in a DFT-framework. Since the Pheo changes its spatial orientation in the course of a MD run, the nuclear equilibrium configurations change their spatial position, too. Introducing a particular averaging procedure, these configurations are determined from the actual MD trajectories. The usability of the approach is underlined by a perfect reproduction of experimental data. This also demonstrates that our proposed method is suitable for the description of more complex systems in future investigations.
Fate of Majorana fermions and Chern numbers after a quantum quench.
Sacramento, P D
2014-09-01
In the sequence of quenches to either nontopological phases or other topological phases, we study the stability of Majorana fermions at the edges of a two-dimensional topological superconductor with spin-orbit coupling and in the presence of a Zeeman term. Both instantaneous and slow quenches are considered. In the case of instantaneous quenches, the Majorana modes generally decay, but for a finite system there is a revival time that scales to infinity as the system size grows. Exceptions to this decaying behavior are found in some cases due to the presence of edge states with the same momentum in the final state. Quenches to a topological Z(2) phase reveal some robustness of the Majorana fermions in the sense that even though the survival probability of the Majorana state is small, it does not vanish. If the pairing is not aligned with the spin-orbit Rashba coupling, it is found that the Majorana fermions are fairly robust with a finite survival probability. It is also shown that the Chern number remains invariant after the quench, until the propagation of the mode along the transverse direction reaches the middle point, beyond which the Chern number fluctuates between increasing values. The effect of varying the rate of change in slow quenches is also analyzed. It is found that the defect production is nonuniversal and does not follow the Kibble-Zurek scaling with the quench rate, as obtained before for other systems with topological edge states.
Prasad, Bhim Bali; Rai, Garima
2013-03-01
In this study, both experimental and theoretical vibrational spectra of template (hydroxyurea, HU), monomer (N-(4,6-bisacryloyl amino-[1,3,5] triazine-2-yl-)-acryl amide, TAT), and HU-TAT complexes were compared and these were respectively found to be in good agreement. Binding energies of HU, when complexed with different monomers, were computed using second order Moller Plesset theory (MP2) at 6-311++G(d,p) level both in the gas as well as solution phases. HU is an antineoplastic agent extensively being used in the treatment of polycythaemia Vera and thrombocythemia. It is also used to reduce the frequency of painful attacks in sickle cell anemia. It has antiretroviral property in disease like AIDS. All spectral characterizations were made using Density Functional Theory (DFT) at B3LYP employing 6-31+g(2d, 2p) basis set. The theoretical values for 13C and 1H NMR chemical shifts were found to be in accordance with the corresponding experimental values. Of all different monomers studied for the synthesis of molecularly imprinted polymer (MIP) systems, the monomer TAT (2 mol) was typically found to have a best binding score requisite for complexation with HU (1 mol) at the ground state.
Zamaere, Christine Berkesch; Griffeth, Stephen; Sam, Steven V.
2014-08-01
We show that for Jack parameter α = -( k + 1)/( r - 1), certain Jack polynomials studied by Feigin-Jimbo-Miwa-Mukhin vanish to order r when k + 1 of the coordinates coincide. This result was conjectured by Bernevig and Haldane, who proposed that these Jack polynomials are model wavefunctions for fractional quantum Hall states. Special cases of these Jack polynomials include the wavefunctions of Laughlin and Read-Rezayi. In fact, along these lines we prove several vanishing theorems known as clustering properties for Jack polynomials in the mathematical physics literature, special cases of which had previously been conjectured by Bernevig and Haldane. Motivated by the method of proof, which in the case r = 2 identifies the span of the relevant Jack polynomials with the S n -invariant part of a unitary representation of the rational Cherednik algebra, we conjecture that unitary representations of the type A Cherednik algebra have graded minimal free resolutions of Bernstein-Gelfand-Gelfand type; we prove this for the ideal of the ( k + 1)-equals arrangement in the case when the number of coordinates n is at most 2 k + 1. In general, our conjecture predicts the graded S n -equivariant Betti numbers of the ideal of the ( k + 1)-equals arrangement with no restriction on the number of ambient dimensions.
Possible conservation of the K-quantum number in excited rotating nuclei
Energy Technology Data Exchange (ETDEWEB)
Bracco, A.; Bosetti, P.; Leoni, S. [Universita di Milano (Italy)]|[INFN, Milano (Italy)] [and others
1996-12-31
The {gamma}-cascades feeding into low-K and high-K bands in the nucleus {sup 163}Er are investigated by analyzing variances and covariances of the spectrum fluctuations. The study of the covariance between pairs of gated spectra reveals that the cascades feeding into the low-K bands are completely different from those feeding the high-K bands. In addition, the number of decay paths obtained analyzing the ridge and the valley in spectra gated by high-K transitions is different than that deduced from the total spectrum. This result is well reproduced with microscopic calculations of strongly interacting bands. It is concluded that the K-selection rules are effective for the excited rotational bands within the angular momentum region probed by the experiment, 30{Dirac_h} {le} I {le} 40{Dirac_h}.
Directory of Open Access Journals (Sweden)
Niaz Bahadur Khan
Full Text Available This study numerically investigates the vortex-induced vibration (VIV of an elastically mounted rigid cylinder by using Reynolds-averaged Navier-Stokes (RANS equations with computational fluid dynamic (CFD tools. CFD analysis is performed for a fixed-cylinder case with Reynolds number (Re = 104 and for a cylinder that is free to oscillate in the transverse direction and possesses a low mass-damping ratio and Re = 104. Previously, similar studies have been performed with 3-dimensional and comparatively expensive turbulent models. In the current study, the capability and accuracy of the RANS model are validated, and the results of this model are compared with those of detached eddy simulation, direct numerical simulation, and large eddy simulation models. All three response branches and the maximum amplitude are well captured. The 2-dimensional case with the RANS shear-stress transport k-w model, which involves minimal computational cost, is reliable and appropriate for analyzing the characteristics of VIV.
Homayoon, Zahra
2014-09-28
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO(+)(H2O) cluster is reported. The PES is based on fitting of roughly 32,000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO(+)(H2O) and NO(+)(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO(+)(H2O) and NO(+)(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO(+)(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.
Homayoon, Zahra
2014-09-01
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO+(H2O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO+(H2O) and NO+(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO+(H2O) and NO+(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO+(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.
Energy Technology Data Exchange (ETDEWEB)
Homayoon, Zahra, E-mail: zhomayo@emory.edu [Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)
2014-09-28
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO{sup +}(H{sub 2}O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO{sup +}(H{sub 2}O) and NO{sup +}(D{sub 2}O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO{sup +}(H{sub 2}O) and NO{sup +}(D{sub 2}O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO{sup +}(H{sub 2}O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water “antisymmetric” stretching mode with the low-frequency intermolecular modes results in intensity borrowing.
International Nuclear Information System (INIS)
Homayoon, Zahra
2014-01-01
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO + (H 2 O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO + (H 2 O) and NO + (D 2 O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO + (H 2 O) and NO + (D 2 O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO + (H 2 O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water “antisymmetric” stretching mode with the low-frequency intermolecular modes results in intensity borrowing
Flavor and baryon quantum numbers and their nondiffractive renormalizations of the Pomeron
International Nuclear Information System (INIS)
Dash, J.W.; Jones, S.T.; Manesis, E.K.
1978-01-01
We present a theoretical review and a detailed phonomenological description of the ''flavoring'' of the bare Pomeron pole at t = 0 (i.e., the nondiffractive renormalization of its multiperipheral unitarity sum by strange quarks, charmed quarks, diquarks,...) from an ''unflavored'' intercept alpha-circumflex = 0.85 to a ''flavored'' intercept α approx. = 1.08. Experimentally, flavoring effects seem to converge rapidly; hence this number is probably close to the bare intercept of the Reggeon field theory. We treat NN, πN, and KN total cross sections and real to imaginary amplitude ratios. We do not observe oscillations. We pay particular attention to 2sigma/sub K/N - sigma/sub piN/ which rises monotonically. We present a closely related combination of inelastic diffraction cross sections which decreases monotonically, indicating that vacuum amplitudes are not simply the sum of a Pomeron pole and an ideally mixed f. In fact we argue that a Pomeron + f structure is neither compatible with flavoring nor with schemes in which flavoring is somehow absorbed away. In contrast, flavoring is required for consistency with experiment by the Chew-Rosenzweig hypothesis of the Pomeron-f identity. We close with a description of flavoring threshold effects on the Reggeon field theory at current energies
DEFF Research Database (Denmark)
Clausen, Christoph; Sangouard, N.; Drewsen, M.
2013-01-01
The ability to detect single photons with a high efficiency is a crucial requirement for various quantum information applications. By combining the storage process of a quantum memory for photons with fluorescence-based quantum state measurement, it is, in principle, possible to achieve high......-efficiency photon counting in large ensembles of atoms. The large number of atoms can, however, pose significant problems in terms of noise stemming from imperfect initial state preparation and off-resonant fluorescence. We identify and analyse a concrete implementation of a photon number resolving detector based...... larger than 93%. Moderate experimental parameters allow for repetition rates of about 3 kHz, limited by the time needed for fluorescence collection and re-cooling of the ions between trials. Our analysis may lead to the first implementation of a photon number resolving detector in atomic ensembles....
Bandshapes in vibrational spectroscopy
International Nuclear Information System (INIS)
Dijkman, F.G.
1978-01-01
A detailed account is given of the development of modern bandshape theories since 1965. An investigation into the relative contributions of statistical irreversible relaxation processes is described, for a series of molecules in which gradually the length of one molecular axis is increased. An investigation into the theoretical and experimental investigation of the broadening brought about by the effect of fluctuating intermolecular potentials on the vibrational frequency is also described. The effect of an intermolecular perturbative potential on anharmonic and Morse oscillators is discussed and the results are presented of a computation on the broadening of the vibrational band of some diatomic molecules in a rigid lattice type solvent. The broadening of the OH-stretching vibration in a number of aliphatic alcohols, the vibrational bandshapes of the acetylenic C-H stretching vibration and of the symmetric methyl stretching vibration are investigated. (Auth./ C.F.)
Energy Technology Data Exchange (ETDEWEB)
Williams, Robert W. [Department of Biomedical Informatics, Uniformed Services University, 4301 Jones Bridge Road, Bethesda, MD 20815 (United States)], E-mail: bob@bob.usuhs.mil; Schluecker, Sebastian [Institute of Physical Chemistry, University of Wuerzburg, Wuerzburg (Germany); Hudson, Bruce S. [Department of Chemistry, Syracuse University, Syracuse, NY (United States)
2008-01-22
A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes.
International Nuclear Information System (INIS)
Williams, Robert W.; Schluecker, Sebastian; Hudson, Bruce S.
2008-01-01
A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes
Identical gamma-vibrational bands in {sup 165}Ho
Energy Technology Data Exchange (ETDEWEB)
Radford, D.C.; Galindo-Uribarri, A.; Janzen, V.P. [Chalk River Labs., Ontario (Canada)] [and others
1996-12-31
The structure of {sup 165}Ho at moderate spins has been investigated by means of Coulomb excitation. Two {gamma}-vibrational bands (K{sup {pi}} = 11/2{sup {minus}} and K{sup {pi}} = 3/2{sup {minus}}) are observed, with very nearly identical in-band {gamma}-ray energies. Gamma-ray branching ratios are analyzed to extract information on Coriolis mixing, and the role of the K quantum number in identical bands is discussed.
Dissociative ionization of liquid water induced by vibrational overtone excitation
International Nuclear Information System (INIS)
Natzle, W.C.
1983-03-01
Photochemistry of vibrationally activated ground electronic state liquid water to produce H + and OH - ions has been initiated by pulsed, single-photon excitation of overtone and combination transitions. Transient conductivity measurements were used to determine quantum yields as a function of photon energy, isotopic composition, and temperature. The equilibrium relaxation rate following perturbation by the vibrationally activated reaction was also measured as a function of temperature reaction and isotopic composition. In H 2 O, the quantum yield at 283 +- 1 K varies from 2 x 10 -9 to 4 x 10 -5 for wave numbers between 7605 and 18140 cm -1 . In D 2 O, the dependence of quantum yield on wavelength has the same qualitative shape as for H 2 O, but is shifted to lower quantum yields. The position of a minimum in the quantum yield versus hydrogen mole fraction curve is consistent with a lower quantum yield for excitation of HOD in D 2 O than for excitation of D 2 O. The ionic recombination distance of 5.8 +- 0.5 A is constant within experimental error with temperature in H 2 O and with isotopic composition at 25 +- 1 0 C
Dissociative ionization of liquid water induced by vibrational overtone excitation
Energy Technology Data Exchange (ETDEWEB)
Natzle, W.C.
1983-03-01
Photochemistry of vibrationally activated ground electronic state liquid water to produce H/sup +/ and OH/sup -/ ions has been initiated by pulsed, single-photon excitation of overtone and combination transitions. Transient conductivity measurements were used to determine quantum yields as a function of photon energy, isotopic composition, and temperature. The equilibrium relaxation rate following perturbation by the vibrationally activated reaction was also measured as a function of temperature reaction and isotopic composition. In H/sub 2/O, the quantum yield at 283 +- 1 K varies from 2 x 10/sup -9/ to 4 x 10/sup -5/ for wave numbers between 7605 and 18140 cm/sup -1/. In D/sub 2/O, the dependence of quantum yield on wavelength has the same qualitative shape as for H/sub 2/O, but is shifted to lower quantum yields. The position of a minimum in the quantum yield versus hydrogen mole fraction curve is consistent with a lower quantum yield for excitation of HOD in D/sub 2/O than for excitation of D/sub 2/O. The ionic recombination distance of 5.8 +- 0.5 A is constant within experimental error with temperature in H/sub 2/O and with isotopic composition at 25 +- 1/sup 0/C.
Sensitivity of molecular vibrational dynamics to energy exchange rate constants
International Nuclear Information System (INIS)
Billing, G D; Coletti, C; Kurnosov, A K; Napartovich, A P
2003-01-01
The sensitivity of molecular vibrational population dynamics, governing the CO laser operated in fundamental and overtone transitions, to vibration-to-vibration rate constants is investigated. With this aim, three rate constant sets have been used, differing in their completeness (i.e. accounting for single-quantum exchange only, or for multi-quantum exchange with a limited number of rate constants obtained by semiclassical calculations, and, finally, with an exhaustive set of rate constants including asymmetric exchange processes, as well) and in the employed interaction potential. The most complete set among these three is introduced in this paper. An existing earlier kinetic model was updated to include the latter new data. Comparison of data produced by kinetic modelling with the above mentioned sets of rate constants shows that the vibrational distribution function, and, in particular, the CO overtone laser characteristics, are very sensitive to the choice of the model. The most complete model predicts slower evolution of the vibrational distribution, in qualitative agreement with experiments
Czech Academy of Sciences Publication Activity Database
Uruba, Václav
2015-01-01
Roč. 55, May (2015), s. 372-383 ISSN 0889-9746 R&D Projects: GA ČR GAP101/10/1230 Institutional support: RVO:61388998 Keywords : airfoil * vibrations * boundary layer separation * oscillation pattern decomposition Subject RIV: BK - Fluid Dynamics Impact factor: 1.709, year: 2015
Vibrational Spectral Studies of Gemfibrozil
Benitta, T. Asenath; Balendiran, G. K.; James, C.
2008-11-01
The Fourier Transform Raman and infrared spectra of the crystallized drug molecule 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid (Gemfibrozil) have been recorded and analyzed. Quantum chemical computational methods have been employed using Gaussian 03 software package based on Hartree Fock method for theoretically modeling the grown molecule. The optimized geometry and vibrational frequencies have been predicted. Observed vibrational modes have been assigned with the aid of normal coordinate analysis.
Energy Technology Data Exchange (ETDEWEB)
Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.
1983-01-01
The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.
The role of ro-vibrational coupling in the revival dynamics of diatomic molecular wave packets
International Nuclear Information System (INIS)
Banerji, J; Ghosh, Suranjana
2006-01-01
We study the revival and fractional revivals of a diatomic molecular wave packet of circular states whose weighing coefficients are peaked about a vibrational quantum number ν-bar and a rotational quantum number j-bar. Furthermore, we show that the interplay between the rotational and vibrational motion is determined by a parameter γ =√D/C, where D is the dissociation energy and C is inversely proportional to the reduced mass of the two nuclei. Using I 2 and H 2 as examples, we show, both analytically and visually (through animations), that for γ>>ν-bar, j-bar, the rotational and vibrational time scales are so far apart that the ro-vibrational motion gets decoupled and the revival dynamics depends essentially on one time scale. For γ∼ν-bar, j-bar, on the other hand, the evolution of the wave packet depends crucially on both the rotational and vibrational time scales of revival. In the latter case, an interesting rotational-vibrational fractional revival is predicted and explained
Orbital-exchange and fractional quantum number excitations in an f-electron metal, Yb2Pt2Pb
Wu, L.S.; Gannon, W.J.; Zaliznyak, I.A.; Tsvelik, A.M.; Brockmann, M.; Caux, J.-S.; Kim, M.S.; Qiu, Y.; Copley, J.R.D.; Ehlers, G.; Podlesnyak, A.; Aronson, M.C.
2016-01-01
Exotic quantum states and fractionalized magnetic excitations, such as spinons in one-dimensional chains, are generally expected to occur in 3d transition metal systems with spin 1/2. Our neutron-scattering experiments on the 4f-electron metal Yb2Pt 2 Pb overturn this conventional wisdom. We observe
Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.
2012-04-01
The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.
International Nuclear Information System (INIS)
Horikiri, Tomoyuki; Sasaki, Hideki; Wang, Haibo; Kobayashi, Takayoshi
2005-01-01
We propose a high security quantum key distribution (QKD) scheme utilizing one mode of spontaneous parametric downconversion gated by a photon number resolving detector. This photon number measurement is possible by using single-photon detectors operating at room temperature and optical fibers. By post selection, the multiphoton probability in this scheme can be reduced to lower than that of a scheme using an attenuated coherent light resulting in improvement of security. Furthermore, if distillation protocol (error correction and privacy amplification) is performed, the gain will be increased. Hence a QKD system with higher security and bit rate than the laser-based QKD system can be attained using present available technologies
Jin, Ho; Choi, Sukyung; Lim, Sang-Hoon; Rhee, Shi-Woo; Lee, Hyo Joong; Kim, Sungjee
2014-01-13
Layer cake: Multilayered CdSe quantum dot (QD) sensitizers are layer-by-layer assembled onto ZnO nanowires by making use of electrostatic interactions to study the effect of the layer number on the photovoltaic properties. The photovoltaic performance of QD-sensitized solar cells critically depends on this number as a result of the balance between light-harvesting efficiency and carrier-recombination probability. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Li Wei-Yin; Chen Fu-Yi
2014-01-01
We investigate the effects of shape and single-atom doping on the structural, optical absorption, Raman, and vibrational properties of Ag 13 , Ag 12 Cu 1 , Cu 13 , and Cu 12 Ag 1 clusters by using the (time-dependent) density functional theory. The results show that the most stable structures are cuboctahedron (COh) for Ag 13 and icosahedron (Ih) for Cu 13 , Ag 12 Cu 1core , and Cu 12 Ag 1sur . In the visible—near infrared optical absorption, the transitions consist of the interband and the intraband transitions. Moreover, red shifts are observed as follows: 1) clusters change from Ag 12 Cu 1core to Ag 13 to Ag 12 Cu 1sur with the same motifs, 2) the shapes of pure Ag 13 and Ag 12 Cu 1core clusters change from COh to Ih to decahedron (Dh), 3) the shape of Ag 12 Cu 1sur clusters changes from Ih to COh to Dh, and 4) the shapes of pure Cu 13 and Cu 12 Ag 1 clusters change from Ih to Dh to COh. All of the Raman and vibrational spectra exhibit many significant vibrational modes related to the shapes and the compositions of the clusters. The ranges of vibrational spectra of Ag 13 , Ag 12 Cu 1 or Cu 13 , and Cu 12 Ag 1 clusters become narrower and the vibrational intensities increase as the shape of the clusters changes from Ih to Dh to COh. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
DEFF Research Database (Denmark)
Sørensen, Herman
1997-01-01
Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...
Ma, Shen; Ye, Han; Yu, Zhong-Yuan; Zhang, Wen; Peng, Yi-Wei; Cheng, Xiang; Liu, Yu-Min
2016-01-11
We propose a new scheme based on quantum dot-bimodal cavity coupling system to realize all-optical switch and logic gates in low-photon-number regime. Suppression of mode transmission due to the destructive interference effect is theoretically demonstrated by driving the cavity with two orthogonally polarized pulsed lasers at certain pulse delay. The transmitted mode can be selected by designing laser pulse sequence. The optical switch with high on-off ratio emerges when considering one driving laser as the control. Moreover, the AND/OR logic gates based on photon polarization are achieved by cascading the coupling system. Both proposed optical switch and logic gates work well in ultra-low energy magnitude. Our work may enable various applications of all-optical computing and quantum information processing.
Microscopic analysis of order parameters in nuclear quantum phase transitions
International Nuclear Information System (INIS)
Li, Z. P.; Niksic, T.; Vretenar, D.; Meng, J.
2009-01-01
Microscopic signatures of nuclear ground-state shape phase transitions in Nd isotopes are studied using excitation spectra and collective wave functions obtained by diagonalization of a five-dimensional Hamiltonian for quadrupole vibrational and rotational degrees of freedom, with parameters determined by constrained self-consistent relativistic mean-field calculations for triaxial shapes. As a function of the physical control parameter, the number of nucleons, energy gaps between the ground state and the excited vibrational states with zero angular momentum, isomer shifts, and monopole transition strengths exhibit sharp discontinuities at neutron number N=90, which is characteristic of a first-order quantum phase transition.
Vibrational Spectroscopy and Astrobiology
Chaban, Galina M.; Kwak, D. (Technical Monitor)
2001-01-01
Role of vibrational spectroscopy in solving problems related to astrobiology will be discussed. Vibrational (infrared) spectroscopy is a very sensitive tool for identifying molecules. Theoretical approach used in this work is based on direct computation of anharmonic vibrational frequencies and intensities from electronic structure codes. One of the applications of this computational technique is possible identification of biological building blocks (amino acids, small peptides, DNA bases) in the interstellar medium (ISM). Identifying small biological molecules in the ISM is very important from the point of view of origin of life. Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of biomolecular building blocks and to create a database of spectroscopic signatures that can assist observations of these molecules in space. Another application of the direct computational spectroscopy technique is to help to design and analyze experimental observations of ice surfaces of one of the Jupiter's moons, Europa, that possibly contains hydrated salts. The presence of hydrated salts on the surface can be an indication of a subsurface ocean and the possible existence of life forms inhabiting such an ocean.
International Nuclear Information System (INIS)
Khrennikov, Andrei; Klein, Moshe; Mor, Tal
2010-01-01
In number theory, a partition of a positive integer n is a way of writing n as a sum of positive integers. The number of partitions of n is given by the partition function p(n). Inspired by quantum information processing, we extend the concept of partitions in number theory as follows: for an integer n, we treat each partition as a basis state of a quantum system representing that number n, so that the Hilbert-space that corresponds to that integer n is of dimension p(n); the 'classical integer' n can thus be generalized into a (pure) quantum state ||ψ(n) > which is a superposition of the partitions of n, in the same way that a quantum bit (qubit) is a generalization of a classical bit. More generally, ρ(n) is a density matrix in that same Hilbert-space (a probability distribution over pure states). Inspired by the notion of quantum numbers in quantum theory (such as in Bohr's model of the atom), we then try to go beyond the partitions, by defining (via recursion) the notion of 'sub-partitions' in number theory. Combining the two notions mentioned above, sub-partitions and quantum integers, we finally provide an alternative definition of the quantum integers [the pure-state |ψ'(n)> and the mixed-state ρ'(n),] this time using the sub-partitions as the basis states instead of the partitions, for describing the quantum number that corresponds to the integer n.
Quantum group and quantum symmetry
International Nuclear Information System (INIS)
Chang Zhe.
1994-05-01
This is a self-contained review on the theory of quantum group and its applications to modern physics. A brief introduction is given to the Yang-Baxter equation in integrable quantum field theory and lattice statistical physics. The quantum group is primarily introduced as a systematic method for solving the Yang-Baxter equation. Quantum group theory is presented within the framework of quantum double through quantizing Lie bi-algebra. Both the highest weight and the cyclic representations are investigated for the quantum group and emphasis is laid on the new features of representations for q being a root of unity. Quantum symmetries are explored in selected topics of modern physics. For a Hamiltonian system the quantum symmetry is an enlarged symmetry that maintains invariance of equations of motion and allows a deformation of the Hamiltonian and symplectic form. The configuration space of the integrable lattice model is analyzed in terms of the representation theory of quantum group. By means of constructing the Young operators of quantum group, the Schroedinger equation of the model is transformed to be a set of coupled linear equations that can be solved by the standard method. Quantum symmetry of the minimal model and the WZNW model in conformal field theory is a hidden symmetry expressed in terms of screened vertex operators, and has a deep interplay with the Virasoro algebra. In quantum group approach a complete description for vibrating and rotating diatomic molecules is given. The exact selection rules and wave functions are obtained. The Taylor expansion of the analytic formulas of the approach reproduces the famous Dunham expansion. (author). 133 refs, 20 figs
McCaffery, Anthony J.
2018-03-01
This study of near-resonant, vibration-vibration (V-V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117, 503 (doi:10.1063/1.1489998)) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V-V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N2 in H2, O2 and N2 initially in their ground states. This article is part of the theme issue `Modern theoretical chemistry'.
Quantum theory of parametric excitation in plasmas with the driving field space dispersion
International Nuclear Information System (INIS)
Vo Hong Anh
1998-11-01
A development of the quantum theory of parametric wave excitation in plasmas is presented to take into account the effects of space dispersion of the driving external fields. The quantum equation of motion method with the use of appropriate matrix formalism leads to the system of dispersion equations for the eigenmodes of vibrations. Calculations show the enlargement of the excitable waves region both in wave number values and directions as compared to the case of dipole approximation considered earlier. (author)
Random vibrations theory and practice
Wirsching, Paul H; Ortiz, Keith
1995-01-01
Random Vibrations: Theory and Practice covers the theory and analysis of mechanical and structural systems undergoing random oscillations due to any number of phenomena— from engine noise, turbulent flow, and acoustic noise to wind, ocean waves, earthquakes, and rough pavement. For systems operating in such environments, a random vibration analysis is essential to the safety and reliability of the system. By far the most comprehensive text available on random vibrations, Random Vibrations: Theory and Practice is designed for readers who are new to the subject as well as those who are familiar with the fundamentals and wish to study a particular topic or use the text as an authoritative reference. It is divided into three major sections: fundamental background, random vibration development and applications to design, and random signal analysis. Introductory chapters cover topics in probability, statistics, and random processes that prepare the reader for the development of the theory of random vibrations a...
Energy Technology Data Exchange (ETDEWEB)
Bae, Hyojung; Park, Jun-Beom [Optoelectronics Convergence Research Center, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of); Fujii, Katsushi [Institute of Environmental Science and Technology, The University of Kitakyushu, Kitakyushu, Fukuoka (Japan); Lee, Hyo-Jong [Materials Science and Engineering, Dong-A University, Busan 49315 (Korea, Republic of); Lee, Sang-Hyun [Institute of Advanced Composite Materials, Korea Institute of Science and Technology, Joellabuk-do 55324 (Korea, Republic of); Ryu, Sang-Wan; Lee, June Key [Optoelectronics Convergence Research Center, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of); Ha, Jun-Seok, E-mail: jsha@jnu.ac.kr [Optoelectronics Convergence Research Center, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of)
2017-04-15
Highlights: • The 1–5 period InGaN/GaN quantum well (QW) structures were grown on sapphire. • The photoelectrochemical properties of these structures were investigated. • The saturated photocurrent density increased with increasing number of QW pairs. • But, it was different in the stability of the photoanode. • We reported the reason for this difference. - Abstract: In this study, the effects of the number of quantum well (QW) pairs on the photoelectrochemical (PEC) properties of InGaN/GaN multi-QW structures (MQWs) were investigated. MQW samples were grown using metal-organic chemical vapor deposition, and their structural characteristics were confirmed by X-ray diffraction measurements. The photoluminescence measurements revealed that the optical properties of MQWs may be related to the PEC properties. The cyclic voltammetry data revealed that the saturated photocurrent density increased with increasing number of QW pairs; the photocurrent density of MQW5 was twice that of an nGaN reference. However, in the chronoamperometry measurement of the photoanode stability, MQWs with 3 QWs displayed the highest photocurrent stability, although the saturated photocurrent density was highest for MQW5. This was also confirmed by field-emission scanning electron microscopy of the surface morphology after PEC measurements. The stability and photocurrent density may be attributed to the quality of crystallinity of the MQWs.
International Nuclear Information System (INIS)
Shpakauskas, V.V.; Kychkin, I.S.; Rudzikas, Z.B.
1976-01-01
Certain symmetry properties of standard quantities of the atomic shell theory for LS coupling are studied, namely, the commutation of quantum numbers of spin and quasispin in genealogical coefficients and in submatrix elements of irreducible tensor operators. The method of second quantization and quasispin has been used for obtaining new relations between genealogical coefficients. The similar relations have been also found for the submatrix elements of the irreducible tensor operators, as well as for genealogical coefficients with two and more split-off electrons. For the first time in special cases for the quantities under study the explicit algebraic expressions are obtained
DEFF Research Database (Denmark)
Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen
2012-01-01
In this paper we describe a field study conducted with a wearable vibration belt where we test to determine the vibration intensity sensitivity ranges on a large diverse group of participants with evenly distributed ages and...
Haroche, Serge
2013-01-01
From the infinitely small to the infinitely big, covering over 60 spatial orders of magnitude, quantum theory is used as much to describe the still largely mysterious vibrations of the microscopic strings that could be the basic constituents of the Universe, as to explain the fluctuations of the microwave radiation reaching us from the depths of outer space. Serge Haroche tells us about the scientific theory that revolutionised our understanding of nature and made an extraordinary contributio...
International Nuclear Information System (INIS)
Band, Y.B.; Freed, K.F.
1977-01-01
The full quantum theory of dissociation processes in polyatomic molecules is converted to a form enabling the isolation of a selected fragment vibration. This form enables the easy evaluation of the probability distribution for energy partitioning between this vibration and all other degrees of freedom that results from the sudden Franck--Condon rearrangement process. The resultant Franck--Condon factors involve the square of the one-dimensional overlap integral between effective oscillator wavefunctions and the wavefunctions for the selected fragment vibration, a form that resembles the simple golden rule model for polyatomic dissociation and reaction processes. The full quantum theory can, therefore, be viewed as providing both a rigorous justification for certain generic aspects of the simple golden rule model as well as providing a number of important generalizations thereof. Some of these involve dealing with initial bound state vibrational excitation, explicit molecule, fragment and energy dependence of the effective oscillator, and the incorporation of all isotopic dependence. In certain limiting situations the full quantum theory yields simple, readily usable analytic expressions for the frequency and equilibrium position of the effective oscillator. Specific applications are presented for the direct photodissociation of HCN, DCN, and CO 2 where comparisons between the full theory and the simple golden rule are presented. We also discuss the generalizations of the previous theory to enable the incorporation of effects of distortion in the normal modes as a function of the reaction coordinate on the repulsive potential energy surface
International Nuclear Information System (INIS)
Dubey, J.; Pandey, P.; Yadav, A.; Limaye, S.N.
1998-01-01
Full text: Electronic spectral studies of Pr(III), Nd(III), Sm(III) Dy(III), Eu(III) and Tm(III) complexes with some aliphatic and aromatic O-O donor ligands viz., Glycolic (gly), Malonic (main) Succinic (suc), Glutaric (glut), Salicylic (sal), Phthalic acids and Catechol (cat) having varied chelate ring sizes and different substitutions as side chains have been carried out with a view to study the effect of chelate ring sizes on the intensities of hypersensitive and pseudo-hypersensitive transitions in lanthanoids. The intensities of these HST transitions have also been correlated with the total quantum number (J) of the lanthanoid metal ions in order to seek a probable mechanism for the phenomenon hypersensitivity. A comparison of the spectral and nephelauxetic parameters for Pr(III), Nd(III), Sm(III) with Dy(III) Er(III) and Tm(III) exhibit a variation in the bonding pattern from electrostatic to covalo-electrostatic from pre-Gd elements to post-Gd elements. The J-(total) quantum number profiles of the oscillator strength values for the specific HST transitions have also been examined
Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction
Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.
2015-01-01
Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review in this journal of the thermal and vibrationally state-selected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review, and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born-Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates, and why vibrationally non-adiabatic transitions cannot be understood by considering tunnelling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.
Fundamental Vibration of Molecular Hydrogen
Dickenson, G. D.; Niu, M. L.; Salumbides, E. J.; Komasa, J.; Eikema, K. S. E.; Pachucki, K.; Ubachs, W.
2013-05-01
The fundamental ground tone vibration of H2, HD, and D2 is determined to an accuracy of 2×10-4cm-1 from Doppler-free laser spectroscopy in the collisionless environment of a molecular beam. This rotationless vibrational splitting is derived from the combination difference between electronic excitation from the X1Σg+, v=0, and v=1 levels to a common EF1Σg+, v=0 level. Agreement within 1σ between the experimental result and a full ab initio calculation provides a stringent test of quantum electrodynamics in a chemically bound system.
Le Gouët, Jean-Louis; Moiseev, Sergey
2012-06-01
Interaction of quantum radiation with multi-particle ensembles has sparked off intense research efforts during the past decade. Emblematic of this field is the quantum memory scheme, where a quantum state of light is mapped onto an ensemble of atoms and then recovered in its original shape. While opening new access to the basics of light-atom interaction, quantum memory also appears as a key element for information processing applications, such as linear optics quantum computation and long-distance quantum communication via quantum repeaters. Not surprisingly, it is far from trivial to practically recover a stored quantum state of light and, although impressive progress has already been accomplished, researchers are still struggling to reach this ambitious objective. This special issue provides an account of the state-of-the-art in a fast-moving research area that makes physicists, engineers and chemists work together at the forefront of their discipline, involving quantum fields and atoms in different media, magnetic resonance techniques and material science. Various strategies have been considered to store and retrieve quantum light. The explored designs belong to three main—while still overlapping—classes. In architectures derived from photon echo, information is mapped over the spectral components of inhomogeneously broadened absorption bands, such as those encountered in rare earth ion doped crystals and atomic gases in external gradient magnetic field. Protocols based on electromagnetic induced transparency also rely on resonant excitation and are ideally suited to the homogeneous absorption lines offered by laser cooled atomic clouds or ion Coulomb crystals. Finally off-resonance approaches are illustrated by Faraday and Raman processes. Coupling with an optical cavity may enhance the storage process, even for negligibly small atom number. Multiple scattering is also proposed as a way to enlarge the quantum interaction distance of light with matter. The
Quantum particle-number fluctuations in a two-component Bose gas in a double-well potential
International Nuclear Information System (INIS)
Zin, Pawel; Oles, Bartlomiej; Sacha, Krzysztof
2011-01-01
A two-component Bose gas in a double-well potential with repulsive interactions may undergo a phase separation transition if the interspecies interactions outweigh the intraspecies ones. We analyze the transition in the strong interaction limit within the two-mode approximation. Numbers of particles in each potential well are equal and constant. However, at the transition point, the ground state of the system reveals huge fluctuations of numbers of particles belonging to the different gas components; that is, the probability for observation of any mixture of particles in each potential well becomes uniform.
Quantum symmetry in quantum theory
International Nuclear Information System (INIS)
Schomerus, V.
1993-02-01
Symmetry concepts have always been of great importance for physical problems like explicit calculations, classification or model building. More recently, new 'quantum symmetries' ((quasi) quantum groups) attracted much interest in quantum theory. It is shown that all these quantum symmetries permit a conventional formulation as symmetry in quantum mechanics. Symmetry transformations can act on the Hilbert space H of physical states such that the ground state is invariant and field operators transform covariantly. Models show that one must allow for 'truncation' in the tensor product of representations of a quantum symmetry. This means that the dimension of the tensor product of two representations of dimension σ 1 and σ 2 may be strictly smaller than σ 1 σ 2 . Consistency of the transformation law of field operators local braid relations leads us to expect, that (weak) quasi quantum groups are the most general symmetries in local quantum theory. The elements of the R-matrix which appears in these local braid relations turn out to be operators on H in general. It will be explained in detail how examples of field algebras with weak quasi quantum group symmetry can be obtained. Given a set of observable field with a finite number of superselection sectors, a quantum symmetry together with a complete set of covariant field operators which obey local braid relations are constructed. A covariant transformation law for adjoint fields is not automatic but will follow when the existence of an appropriate antipode is assumed. At the example of the chiral critical Ising model, non-uniqueness of the quantum symmetry will be demonstrated. Generalized quantum symmetries yield examples of gauge symmetries in non-commutative geometry. Quasi-quantum planes are introduced as the simplest examples of quasi-associative differential geometry. (Weak) quasi quantum groups can act on them by generalized derivations much as quantum groups do in non-commutative (differential-) geometry
2009-01-01
Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.
Umesh P. Agarwal; Rajai Atalla
2010-01-01
Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...
Quantum machine learning for quantum anomaly detection
Liu, Nana; Rebentrost, Patrick
2018-04-01
Anomaly detection is used for identifying data that deviate from "normal" data patterns. Its usage on classical data finds diverse applications in many important areas such as finance, fraud detection, medical diagnoses, data cleaning, and surveillance. With the advent of quantum technologies, anomaly detection of quantum data, in the form of quantum states, may become an important component of quantum applications. Machine-learning algorithms are playing pivotal roles in anomaly detection using classical data. Two widely used algorithms are the kernel principal component analysis and the one-class support vector machine. We find corresponding quantum algorithms to detect anomalies in quantum states. We show that these two quantum algorithms can be performed using resources that are logarithmic in the dimensionality of quantum states. For pure quantum states, these resources can also be logarithmic in the number of quantum states used for training the machine-learning algorithm. This makes these algorithms potentially applicable to big quantum data applications.
Vendrell, Oriol; Brill, Michael; Gatti, Fabien; Lauvergnat, David; Meyer, Hans-Dieter
2009-06-21
Quantum dynamical calculations are reported for the zero point energy, several low-lying vibrational states, and the infrared spectrum of the H(5)O(2)(+) cation. The calculations are performed by the multiconfiguration time-dependent Hartree (MCTDH) method. A new vector parametrization based on a mixed Jacobi-valence description of the system is presented. With this parametrization the potential energy surface coupling is reduced with respect to a full Jacobi description, providing a better convergence of the n-mode representation of the potential. However, new coupling terms appear in the kinetic energy operator. These terms are derived and discussed. A mode-combination scheme based on six combined coordinates is used, and the representation of the 15-dimensional potential in terms of a six-combined mode cluster expansion including up to some 7-dimensional grids is discussed. A statistical analysis of the accuracy of the n-mode representation of the potential at all orders is performed. Benchmark, fully converged results are reported for the zero point energy, which lie within the statistical uncertainty of the reference diffusion Monte Carlo result for this system. Some low-lying vibrationally excited eigenstates are computed by block improved relaxation, illustrating the applicability of the approach to large systems. Benchmark calculations of the linear infrared spectrum are provided, and convergence with increasing size of the time-dependent basis and as a function of the order of the n-mode representation is studied. The calculations presented here make use of recent developments in the parallel version of the MCTDH code, which are briefly discussed. We also show that the infrared spectrum can be computed, to a very good approximation, within D(2d) symmetry, instead of the G(16) symmetry used before, in which the complete rotation of one water molecule with respect to the other is allowed, thus simplifying the dynamical problem.
Basak, Jyotirmoy; Maitra, Subhamoy
2018-04-01
In device-independent (DI) paradigm, the trustful assumptions over the devices are removed and CHSH test is performed to check the functionality of the devices toward certifying the security of the protocol. The existing DI protocols consider infinite number of samples from theoretical point of view, though this is not practically implementable. For finite sample analysis of the existing DI protocols, we may also consider strategies for checking device independence other than the CHSH test. In this direction, here we present a comparative analysis between CHSH and three-party Pseudo-telepathy game for the quantum private query protocol in DI paradigm that appeared in Maitra et al. (Phys Rev A 95:042344, 2017) very recently.
Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-
Lyle, Justin; Mabbs, Richard
2017-06-01
The Cyanomethyl Anion, CH_{2}CN-, and neutral radical have been studied extensively, with several findings of autodetachment about the totally symmetric transition, as well as high resolution experiments revealing symmetrically forbidden and weak vibrational features. We report photoelectron spectra using the Velocity-Mapped Imaging Technique in 1-2 \\wn increments over a range of 13460 to 15384 \\wn that has not been previously examined. These spectra include excitation of the ground state cyanomethyl anion into the direct detachment thresholds of previously reported vibrational modes for the neutral radical. Significant variations from Franck-Condon behavior were observed in the branching ratios for resolved vibrational features for excitation in the vicinity of the thresholds involving the νb{3} and νb{5} modes. These are consistent with autodetachment from rovibrational levels of a dipole bound state acting as a resonance in the detachment continuum. The autodetachment channels involve single changes in vibrational quantum number, consistent with the vibrational propensity rule but in some cases reveal relaxation to a different vibrational mode indicating coupling between the modes and/or a breakdown of the normal mode approximation.
Local-mode vibrations of water
Energy Technology Data Exchange (ETDEWEB)
Lawton, R.T.; Child, M.S. (Oxford Univ. (UK). Dept. of Theoretical Chemistry)
1981-05-11
Quantum-mechanical eigenvalues for the stretching vibrations of H/sub 2/O on the Sorbie-Murrell potential surface are shown to contain a series of local-mode doublets, with splittings which vary as the energy increases from 100 cm/sup -1/ at v=1 to 0.001 cm/sup -1/ at v=8. Preliminary calculations indicate that this pattern is largely unaffected by inclusion of the bending vibrational mode.
Local-mode vibrations of water
Energy Technology Data Exchange (ETDEWEB)
Lawton, R.T.; Child, M.S. (Oxford Univ. (UK). Dept. of Theoretical Chemistry)
1981-05-11
Quantum-mechanical eigenvalues for the stretching vibrations of H/sub 2/O on the Sorbie-Murrell potential surface are shown to contain a series of local-mode doublets, with splittings which vary as the energy increases from 100 cm/sup -1/ at theta=1 to 0.001 cm/sup -1/ at theta=8. Preliminary calculations indicate that this pattern is largely unaffected by inclusion of the bending vibrational mode.
Local-mode vibrations of water
International Nuclear Information System (INIS)
Lawton, R.T.; Child, M.S.
1981-01-01
Quantum-mechanical eigenvalues for the stretching vibrations of H 2 O on the Sorbie-Murrell potential surface are shown to contain a series of local-mode doublets, with splittings which vary as the energy increases from 100 cm - 1 at v=1 to 0.001 cm - 1 at v=8. Preliminary calculations indicate that this pattern is largely unaffected by inclusion of the bending vibrational mode. (author)
Nuclear catalysis mediated by localized anharmonic vibrations
Dubinko, Vladimir
2015-01-01
In many-body nonlinear systems with sufficient anharmonicity, a special kind of lattice vibrations, namely, Localized Anharmonic Vibrations (LAVs) can be excited either thermally or by external triggering, in which the amplitude of atomic oscillations greatly exceeds that of harmonic oscillations (phonons) that determine the system temperature. Coherency and persistence of LAVs may have drastic effect on quantum tunneling due to correlation effects discovered by Schrodinger and Robertson in 1...
Energy Technology Data Exchange (ETDEWEB)
Stipčević, Mario, E-mail: mario.stipcevic@irb.hr [Photonics and Quantum Optics Research Unit, Center of Excellence for Advanced Materials and Sensing Devices, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb (Croatia)
2016-03-15
In this work, a new type of elementary logic circuit, named random flip-flop (RFF), is proposed, experimentally realized, and studied. Unlike conventional Boolean logic circuits whose action is deterministic and highly reproducible, the action of a RFF is intentionally made maximally unpredictable and, in the proposed realization, derived from a fundamentally random process of emission and detection of light quanta. We demonstrate novel applications of RFF in randomness preserving frequency division, random frequency synthesis, and random number generation. Possible usages of these applications in the information and communication technology, cryptographic hardware, and testing equipment are discussed.
Karthikeyan, N.; Joseph Prince, J.; Ramalingam, S.; Periandy, S.
2015-03-01
In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The 13C and 1H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied.
International Nuclear Information System (INIS)
Tasinato, Nicola; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi
2015-01-01
Graphical abstract: - Highlights: • Adsorption of F 2 C=CFCl on TiO 2 unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F 2 C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol −1 depending on the anchor point. • Theory and experiment converge on the CF 2 moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO 2 ) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F 2 C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO 2 nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti 4+ of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol −1 according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.
Karthikeyan, N; Prince, J Joseph; Ramalingam, S; Periandy, S
2015-03-15
In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The (13)C and (1)H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.
Quantum chemistry an introduction
Kauzmann, Walter
2013-01-01
Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics.Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey
Arjunan, V.; Anitha, R.; Thenmozhi, S.; Marchewka, M. K.; Mohan, S.
2016-06-01
The stable conformers of trans-2-methoxycinnamic acid (trans-2MCA) are determined by potential energy profile analysis. The energies of the s-cis and s-trans conformers of trans-2MCA determined by B3LYP/cc-pVTZ method are -612.9788331 Hartrees and -612.9780953 Hartrees, respectively. The vibrational and electronic investigations of the stable s-cis and s-trans conformers of trans-2-methoxycinnamic acid have been carried out extensively with FTIR and FT-Raman spectral techniques. The s-cis conformer (I) with a (C16-C17-C18-O19) dihedral angle equal to 0° is found to be more favoured relative to the one s-trans (II) with (C16-C17-C18-O19) = 180°, possibly due to delocalization, hydrogen bonding and steric repulsion effects between the methoxy and acrylic acid groups. The DFT studies are performed with B3LYP method by utilizing 6-311++G** and cc-pVTZ basis sets to determine the structure, thermodynamic properties, vibrational characteristics and chemical shifts of the compound. The total dipole moments of the conformers determined by B3LYP/cc-pVTZ method are 3.35 D and 4.87 D for s-cis and s-trans, respectively. It reveals the higher polarity of s-trans conformer of trans-2MCA molecule. The electronic and steric influence of the methoxy group on the skeletal frequencies has been analysed. The energies of the frontier molecular orbitals and the LUMO-HOMO energy gap have been determined. The MEP of s-cis conformer lie in the range +1.374e × 10-2 to -1.374e × 10-2 while for s-trans it is +1.591e × 10-2 to -1.591e × 10-2. The total electron density of s-cis conformer lie in the range +5.273e × 10-2 to -5.273e × 10-2 while for s-trans it is +5.403e × 10-2 to -5.403e × 10-2. The MEP and total electron density shows that the s-cis conformer is less polar, less reactive and more stable than the s-trans conformer. All the reactivity descriptors of the molecule have been discussed. Intramolecular electronic interactions and their stabilisation energies have analysed
Electronic Rydberg wavepacket effects on molecular vibration
International Nuclear Information System (INIS)
Hughes, I.G.; Meacher, D.R.
1994-01-01
Electronic wavepacket states of molecular hydrogen are considered which represent the situation of a spectator electron orbiting a molecular core. A quantum defect theory approach is used to determine the energy level structure, wavefunctions and molecular potentials, which is valid in regions where the quantum defects approach zero. In such a region the orbital motion of the wavepacket leads to a periodic variation in the molecular vibration frequency of the order of 100 cm -1 . Possible detection schemes are discussed. (author)
Theory for Nonlinear Spectroscopy of Vibrational Polaritons
Ribeiro, RF; Dunkelberger, AD; Xiang, B; Xiong, W; Simpkins, BS; Owrutsky, JC; Yuen-Zhou, J
2017-01-01
Molecular polaritons have gained considerable attention due to their potential to control nanoscale molecular processes by harnessing electromagnetic coherence. Although recent experiments with liquid-phase vibrational polaritons have shown great promise for exploiting these effects, significant challenges remain in interpreting their spectroscopic signatures. In this letter, we develop a quantum-mechanical theory of pump-probe spectroscopy for this class of polaritons based on the quantum La...
International Nuclear Information System (INIS)
Adamovich, Igor V.
2014-01-01
A three-dimensional, nonperturbative, semiclassical analytic model of vibrational energy transfer in collisions between a rotating diatomic molecule and an atom, and between two rotating diatomic molecules (Forced Harmonic Oscillator–Free Rotation model) has been extended to incorporate rotational relaxation and coupling between vibrational, translational, and rotational energy transfer. The model is based on analysis of semiclassical trajectories of rotating molecules interacting by a repulsive exponential atom-to-atom potential. The model predictions are compared with the results of three-dimensional close-coupled semiclassical trajectory calculations using the same potential energy surface. The comparison demonstrates good agreement between analytic and numerical probabilities of rotational and vibrational energy transfer processes, over a wide range of total collision energies, rotational energies, and impact parameter. The model predicts probabilities of single-quantum and multi-quantum vibrational-rotational transitions and is applicable up to very high collision energies and quantum numbers. Closed-form analytic expressions for these transition probabilities lend themselves to straightforward incorporation into DSMC nonequilibrium flow codes
International Nuclear Information System (INIS)
Rodgers, P.
1998-01-01
There is more to information than a string of ones and zeroes the ability of ''quantum bits'' to be in two states at the same time could revolutionize information technology. In the mid-1930s two influential but seemingly unrelated papers were published. In 1935 Einstein, Podolsky and Rosen proposed the famous EPR paradox that has come to symbolize the mysteries of quantum mechanics. Two years later, Alan Turing introduced the universal Turing machine in an enigmatically titled paper, On computable numbers, and laid the foundations of the computer industry one of the biggest industries in the world today. Although quantum physics is essential to understand the operation of transistors and other solid-state devices in computers, computation itself has remained a resolutely classical process. Indeed it seems only natural that computation and quantum theory should be kept as far apart as possible surely the uncertainty associated with quantum theory is anathema to the reliability expected from computers? Wrong. In 1985 David Deutsch introduced the universal quantum computer and showed that quantum theory can actually allow computers to do more rather than less. The ability of particles to be in a superposition of more than one quantum state naturally introduces a form of parallelism that can, in principle, perform some traditional computing tasks faster than is possible with classical computers. Moreover, quantum computers are capable of other tasks that are not conceivable with their classical counterparts. Similar breakthroughs in cryptography and communication followed. (author)
Energy Technology Data Exchange (ETDEWEB)
Rodgers, P
1998-03-01
There is more to information than a string of ones and zeroes the ability of ''quantum bits'' to be in two states at the same time could revolutionize information technology. In the mid-1930s two influential but seemingly unrelated papers were published. In 1935 Einstein, Podolsky and Rosen proposed the famous EPR paradox that has come to symbolize the mysteries of quantum mechanics. Two years later, Alan Turing introduced the universal Turing machine in an enigmatically titled paper, On computable numbers, and laid the foundations of the computer industry one of the biggest industries in the world today. Although quantum physics is essential to understand the operation of transistors and other solid-state devices in computers, computation itself has remained a resolutely classical process. Indeed it seems only natural that computation and quantum theory should be kept as far apart as possible surely the uncertainty associated with quantum theory is anathema to the reliability expected from computers? Wrong. In 1985 David Deutsch introduced the universal quantum computer and showed that quantum theory can actually allow computers to do more rather than less. The ability of particles to be in a superposition of more than one quantum state naturally introduces a form of parallelism that can, in principle, perform some traditional computing tasks faster than is possible with classical computers. Moreover, quantum computers are capable of other tasks that are not conceivable with their classical counterparts. Similar breakthroughs in cryptography and communication followed. (author)
Energy Technology Data Exchange (ETDEWEB)
Rodgers, P
1998-03-01
There is more to information than a string of ones and zeroes the ability of ''quantum bits'' to be in two states at the same time could revolutionize information technology. In the mid-1930s two influential but seemingly unrelated papers were published. In 1935 Einstein, Podolsky and Rosen proposed the famous EPR paradox that has come to symbolize the mysteries of quantum mechanics. Two years later, Alan Turing introduced the universal Turing machine in an enigmatically titled paper, On computable numbers, and laid the foundations of the computer industry one of the biggest industries in the world today. Although quantum physics is essential to understand the operation of transistors and other solid-state devices in computers, computation itself has remained a resolutely classical process. Indeed it seems only natural that computation and quantum theory should be kept as far apart as possible surely the uncertainty associated with quantum theory is anathema to the reliability expected from computers? Wrong. In 1985 David Deutsch introduced the universal quantum computer and showed that quantum theory can actually allow computers to do more rather than less. The ability of particles to be in a superposition of more than one quantum state naturally introduces a form of parallelism that can, in principle, perform some traditional computing tasks faster than is possible with classical computers. Moreover, quantum computers are capable of other tasks that are not conceivable with their classical counterparts. Similar breakthroughs in cryptography and communication followed. (author)
Vibrational Spectroscopy of Ionic Liquids.
Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C
2017-05-24
Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of information is now available concerning vibrational spectra of ionic liquids made of many different combinations of anions and cations, but reviews on this literature are scarce. This review is an attempt at filling this gap. Some basic care needed while recording IR or Raman spectra of ionic liquids is explained. We have reviewed the conceptual basis of theoretical frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader to distinguish the scope of application of different methods of calculation. Vibrational frequencies observed in IR and Raman spectra of ionic liquids based on different anions and cations are discussed and eventual disagreements between different sources are critically reviewed. The aim is that the reader can use this information while assigning vibrational spectra of an ionic liquid containing another particular combination of anions and cations. Different applications of IR and Raman spectroscopies are given for both pure ionic liquids and solutions. Further issues addressed in this review are the intermolecular vibrations that are more directly probed by the low-frequency range of IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions of ionic liquids.
Quantum Number Fractionalization in Antiferromagnets
Laughlin, R. B.; Giuliano, D.; Caracciolo, R.; White, O.
1998-01-01
This is a pedagogical introduction to the mathematics of 1-dimensional spin-1/2 antiferromagnets. Topics covered include the Haldane-Shastry Hamiltonian, vector ``supercharges'', conserved spin currents, spinons, the supersymmetric Kuramoto-Yokoyama Hamiltonian, and holons.
Nakamura, Shin; Noguchi, Takumi
2016-10-11
During photosynthesis, the light-driven oxidation of water performed by photosystem II (PSII) provides electrons necessary to fix CO 2 , in turn supporting life on Earth by liberating molecular oxygen. Recent high-resolution X-ray images of PSII show that the water-oxidizing center (WOC) is composed of an Mn 4 CaO 5 cluster with six carboxylate, one imidazole, and four water ligands. FTIR difference spectroscopy has shown significant structural changes of the WOC during the S-state cycle of water oxidation, especially within carboxylate groups. However, the roles that these carboxylate groups play in water oxidation as well as how they should be properly assigned in spectra are unresolved. In this study, we performed a normal mode analysis of the WOC using the quantum mechanics/molecular mechanics (QM/MM) method to simulate FTIR difference spectra on the S 1 to S 2 transition in the carboxylate stretching region. By evaluating WOC models with different oxidation and protonation states, we determined that models of high-oxidation states, Mn(III) 2 Mn(IV) 2 , satisfactorily reproduced experimental spectra from intact and Ca-depleted PSII compared with low-oxidation models. It is further suggested that the carboxylate groups bridging Ca and Mn ions within this center tune the reactivity of water ligands bound to Ca by shifting charge via their π conjugation.
International Nuclear Information System (INIS)
Cook, R.J.
1988-01-01
This paper answers the title question by giving an operational definition of quantum jumps based on measurement theory. This definition forms the basis of a theory of quantum jumps which leads to a number of testable predictions. Experiments are proposed to test the theory. The suggested experiments also test the quantum Zeno paradox, i.e., they test the proposition that frequent observation of a quantum system inhibits quantum jumps in that system. (orig.)
Broadband Quantum Cryptography
Rogers, Daniel
2010-01-01
Quantum cryptography is a rapidly developing field that draws from a number of disciplines, from quantum optics to information theory to electrical engineering. By combining some fundamental quantum mechanical principles of single photons with various aspects of information theory, quantum cryptography represents a fundamental shift in the basis for security from numerical complexity to the fundamental physical nature of the communications channel. As such, it promises the holy grail of data security: theoretically unbreakable encryption. Of course, implementing quantum cryptography in real br
International Nuclear Information System (INIS)
Masiello, David J.; Reinhardt, William P.
2007-01-01
A time-dependent multiconfigurational self-consistent field theory is presented to describe the many-body dynamics of a gas of identical bosonic atoms confined to an external trapping potential at zero temperature from first principles. A set of generalized evolution equations are developed, through the time-dependent variational principle, which account for the complete and self-consistent coupling between the expansion coefficients of each configuration and the underlying one-body wave functions within a restricted two state Fock space basis that includes the full effects of the condensate's mean field as well as atomic correlation. The resulting dynamical equations are a classical Hamiltonian system and, by construction, form a well-defined initial value problem. They are implemented in an efficient numerical algorithm. An example is presented, highlighting the generality of the theory, in which the ballistic expansion of a fragmented condensate ground state is compared to that of a macroscopic quantum superposition state, taken here to be a highly entangled number state, upon releasing the external trapping potential. Strikingly different many-body matter-wave dynamics emerge in each case, accentuating the role of both atomic correlation and mean-field effects in the two condensate states
Grössing, Gerhard
1987-05-01
It is shown on the basis of quantum cybernetics that one can obtain the usual predictions of quantum theory without ever referring to complex numbered “quantum mechanical amplitudes”. Instead, a very simple formula for transition and certain conditional probabilities is developed that involves real numbers only, thus relating intuitively understandable and in principle directly observable physical quantities.
National Aeronautics and Space Administration — Ground vibration tests or modal surveys are routinely conducted to support flutter analysis for subsonic and supersonic vehicles. However, vibration testing...
Manipulation of molecular vibrational motions via pure rotational excitations
DEFF Research Database (Denmark)
Shu, Chuan-Cun; Henriksen, Niels Engholm
2015-01-01
The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected...
Theory of vibration protection
Karnovsky, Igor A
2016-01-01
This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...
Basis states for the rotational and vibrational limits of nuclear collective motion
International Nuclear Information System (INIS)
Vanagas, V.; Alishauskas, S.; Kalinauskas, R.; Nadzhakov, E.
1980-01-01
Basis states characterized by quantum numbers traditionally used in the rotational and the vibrational limits are treated in an unified way. An explicit basis construction in the Hilbert space of the collective phenomenological nuclear Hamiltonian generalized to six degrees of freedom in both limits is given. This generalization reduces to including an additional degree of freedom allowing to treat both cases within a collective substance of the complete many-body Hilbert space. A group-theoretical approach is applied. From this point of view the problem is reduced to the construction of a set of U(6)-irreducible states labelled by quantum numbers of two special chains of subgroups adapted for the rotational and vibrational limits. In particular, the generalization is more complicated in the case of the chain for the rotational limits. The explicit construction of a basis for both limits is carried out in two steps: 1) construction of the highest weight state for corresponding group irreducible representation - in the case of the rotational limit U(3) and of the vibrational limit O(5); 2) generating a complete set of states by the projection technique. In this framework it is possible to diagonalize a general phenomenological Hamiltonian in cases different from both limits. It is also possible to calculate transition probabilities induced by any physical quantity
Greiner, Walter
1989-01-01
"Quantum Dynamics" is a major survey of quantum theory based on Walter Greiner's long-running and highly successful courses at the University of Frankfurt. The key to understanding in quantum theory is to reinforce lecture attendance and textual study by working through plenty of representative and detailed examples. Firm belief in this principle led Greiner to develop his unique course and to transform it into a remarkable and comprehensive text. The text features a large number of examples and exercises involving many of the most advanced topics in quantum theory. These examples give practical and precise demonstrations of how to use the often subtle mathematics behind quantum theory. The text is divided into five volumes: Quantum Mechanics I - An Introduction, Quantum Mechanics II - Symmetries, Relativistic Quantum Mechanics, Quantum Electrodynamics, Gauge Theory of Weak Interactions. These five volumes take the reader from the fundamental postulates of quantum mechanics up to the latest research in partic...
Quantum Computations: Fundamentals and Algorithms
International Nuclear Information System (INIS)
Duplij, S.A.; Shapoval, I.I.
2007-01-01
Basic concepts of quantum information theory, principles of quantum calculations and the possibility of creation on this basis unique on calculation power and functioning principle device, named quantum computer, are concerned. The main blocks of quantum logic, schemes of quantum calculations implementation, as well as some known today effective quantum algorithms, called to realize advantages of quantum calculations upon classical, are presented here. Among them special place is taken by Shor's algorithm of number factorization and Grover's algorithm of unsorted database search. Phenomena of decoherence, its influence on quantum computer stability and methods of quantum errors correction are described
Quantum dynamics of vibrational excitations and vibrational charge ...
Indian Academy of Sciences (India)
Administrator
Dedicated to the memory of the late Professor S K Rangarajan ... Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036. # ... likely ways to improve the results are discussed in terms of the inclusion of higher excited ...
Quantum Entropy and Its Applications to Quantum Communication and Statistical Physics
Directory of Open Access Journals (Sweden)
Masanori Ohya
2010-05-01
Full Text Available Quantum entropy is a fundamental concept for quantum information recently developed in various directions. We will review the mathematical aspects of quantum entropy (entropies and discuss some applications to quantum communication, statistical physics. All topics taken here are somehow related to the quantum entropy that the present authors have been studied. Many other fields recently developed in quantum information theory, such as quantum algorithm, quantum teleportation, quantum cryptography, etc., are totally discussed in the book (reference number 60.
Finite and profinite quantum systems
Vourdas, Apostolos
2017-01-01
This monograph provides an introduction to finite quantum systems, a field at the interface between quantum information and number theory, with applications in quantum computation and condensed matter physics. The first major part of this monograph studies the so-called `qubits' and `qudits', systems with periodic finite lattice as position space. It also discusses the so-called mutually unbiased bases, which have applications in quantum information and quantum cryptography. Quantum logic and its applications to quantum gates is also studied. The second part studies finite quantum systems, where the position takes values in a Galois field. This combines quantum mechanics with Galois theory. The third part extends the discussion to quantum systems with variables in profinite groups, considering the limit where the dimension of the system becomes very large. It uses the concepts of inverse and direct limit and studies quantum mechanics on p-adic numbers. Applications of the formalism include quantum optics and ...
National Research Council Canada - National Science Library
Agarwal, G. S
2013-01-01
.... Focusing on applications of quantum optics, the textbook covers recent developments such as engineering of quantum states, quantum optics on a chip, nano-mechanical mirrors, quantum entanglement...
International Nuclear Information System (INIS)
Kwak, Mun Gyu; Na, Sung Su; Baek, Gwang Hyeon; Song, Chul Gi; Han, Sang Bo
2001-09-01
This book deals with vibration of machine which gives descriptions of free vibration using SDOF system, forced vibration using SDOF system, vibration of multi-degree of freedom system like introduction and normal form, distribution system such as introduction, free vibration of bar and practice problem, approximate solution like lumped approximations and Raleigh's quotient, engineering by intuition and experience, real problem and experimental method such as technology of signal, fourier transform analysis, frequency analysis and sensor and actuator.
Enhanced vibration diagnostics using vibration signature analysis
International Nuclear Information System (INIS)
Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.
2001-01-01
Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)
Quantum interference experiments with complex organic molecules
International Nuclear Information System (INIS)
Eibenberger, S. I.
2015-01-01
Matter-wave interference with complex particles is a thriving field in experimental quantum physics. The quest for testing the quantum superposition principle with highly complex molecules has motivated the development of the Kapitza-Dirac-Talbot-Lau interferometer (KDTLI). This interferometer has enabled quantum interference with large organic molecules in an unprecedented mass regime. In this doctoral thesis I describe quantum superposition experiments which we were able to successfully realize with molecules of masses beyond 10 000 amu and consisting of more than 800 atoms. The typical de Broglie wavelengths of all particles in this thesis are in the order of 0.3-5 pm. This is significantly smaller than any molecular extension (nanometers) or the delocalization length in our interferometer (hundreds of nanometers). Many vibrational and rotational states are populated since the molecules are thermally highly excited (300-1000 K). And yet, high-contrast quantum interference patterns could be observed. The visibility and position of these matter-wave interference patterns is highly sensitive to external perturbations. This sensitivity has opened the path to extensive studies of the influence of internal molecular properties on the coherence of their associated matter waves. In addition, it enables a new approach to quantum-assisted metrology. Quantum interference imprints a high-contrast nano-structured density pattern onto the molecular beam which allows us to resolve tiny shifts and dephasing of the molecular beam. I describe how KDTL interferometry can be used to investigate a number of different molecular properties. We have studied vibrationally-induced conformational changes of floppy molecules and permanent electric dipole moments using matter-wave deflectometry in an external electric field. We have developed a new method for optical absorption spectroscopy which uses the recoil of the molecules upon absorption of individual photons. This allows us to
Influence of phonons on semiconductor quantum emission
Energy Technology Data Exchange (ETDEWEB)
Feldtmann, Thomas
2009-07-06
A microscopic theory of interacting charge carriers, lattice vibrations, and light modes in semiconductor systems is presented. The theory is applied to study quantum dots and phonon-assisted luminescence in bulk semiconductors and heterostructures. (orig.)
Maximally incompatible quantum observables
Energy Technology Data Exchange (ETDEWEB)
Heinosaari, Teiko, E-mail: teiko.heinosaari@utu.fi [Turku Centre for Quantum Physics, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Schultz, Jussi, E-mail: jussi.schultz@gmail.com [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Toigo, Alessandro, E-mail: alessandro.toigo@polimi.it [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Ziman, Mario, E-mail: ziman@savba.sk [RCQI, Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, 84511 Bratislava (Slovakia); Faculty of Informatics, Masaryk University, Botanická 68a, 60200 Brno (Czech Republic)
2014-05-01
The existence of maximally incompatible quantum observables in the sense of a minimal joint measurability region is investigated. Employing the universal quantum cloning device it is argued that only infinite dimensional quantum systems can accommodate maximal incompatibility. It is then shown that two of the most common pairs of complementary observables (position and momentum; number and phase) are maximally incompatible.
Maximally incompatible quantum observables
International Nuclear Information System (INIS)
Heinosaari, Teiko; Schultz, Jussi; Toigo, Alessandro; Ziman, Mario
2014-01-01
The existence of maximally incompatible quantum observables in the sense of a minimal joint measurability region is investigated. Employing the universal quantum cloning device it is argued that only infinite dimensional quantum systems can accommodate maximal incompatibility. It is then shown that two of the most common pairs of complementary observables (position and momentum; number and phase) are maximally incompatible.
International Nuclear Information System (INIS)
Hund, F.
1980-01-01
History of quantum theory from quantum representations (1900) to the formation of quantum mechanics is systematically stated in the monograph. A special attention is paid to the development of ideas of quantum physics, given are schemes of this development. Quantum theory is abstractly presented as the teaching about a role, which value h characterizing elementary quantum of action, plays in the nature: in statistics - as a unit for calculating the number of possible states; in corpuscular-wave dualism for light - as a value determining the interaction of light and substance and as a component of atom dynamics; in corpuscular-wave dualism for substance. Accordingly, history of the quantum theory development is considered in the following sequence: h discovery; history of quantum statistics, history of light quanta and initial atom dynamics; crysis of this dynamics and its settlement; substance waves and in conclusion - the completion of quantum mechanics including applications and its further development
Energetics and Dynamics of GaAs Epitaxial Growth via Quantum Wave Packet Studies
Dzegilenko, Fedor N.; Saini, Subhash (Technical Monitor)
1998-01-01
The dynamics of As(sub 2) molecule incorporation into the flat Ga-terminated GaAs(100) surface is studied computationally. The time-dependent Schrodinger equation is solved on a two-dimensional potential energy surface obtained using density functional theory calculations. The probabilities of trapping and subsequent dissociation of the molecular As(sub 2) bond are calculated as a function of beam translational energy and vibrational quantum number of As(sub 2).
International Nuclear Information System (INIS)
Hey, J D
2014-01-01
As a sequel to an earlier study (Hey 2009 J. Phys. B: At. Mol. Opt. Phys. 42 125701), we consider further the application of the line strength formula derived by Watson (2006 J. Phys. B: At. Mol. Opt. Phys. 39 L291) to transitions arising from states of very high principal quantum number in hydrogenic atoms and ions (Rydberg–Rydberg transitions, n > 1000). It is shown how apparent difficulties associated with the use of recurrence relations, derived (Hey 2006 J. Phys. B: At. Mol. Opt. Phys. 39 2641) by the ladder operator technique of Infeld and Hull (1951 Rev. Mod. Phys. 23 21), may be eliminated by a very simple numerical device, whereby this method may readily be applied up to n ≈ 10 000. Beyond this range, programming of the method may entail greater care and complexity. The use of the numerically efficient McLean–Watson formula for such cases is again illustrated by the determination of radiative lifetimes and comparison of present results with those from an asymptotic formula. The question of the influence on the results of the omission or inclusion of fine structure is considered by comparison with calculations based on the standard Condon–Shortley line strength formula. Interest in this work on the radial matrix elements for large n and n′ is related to measurements of radio recombination lines from tenuous space plasmas, e.g. Stepkin et al (2007 Mon. Not. R. Astron. Soc. 374 852), Bell et al (2011 Astrophys. Space Sci. 333 377), to the calculation of electron impact broadening parameters for such spectra (Watson 2006 J. Phys. B: At. Mol. Opt. Phys. 39 1889) and comparison with other theoretical methods (Peach 2014 Adv. Space Res. in press), to the modelling of physical processes in H II regions (Roshi et al 2012 Astrophys. J. 749 49), and the evaluation bound–bound transitions from states of high n during primordial cosmological recombination (Grin and Hirata 2010 Phys. Rev. D 81 083005, Ali-Haïmoud and Hirata 2010 Phys. Rev. D 82 063521
[Occupational standing vibration rate and vibrational diseases].
Karnaukh, N G; Vyshchipan, V F; Haumenko, B S
2003-12-01
Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.
Electron-vibrational transitions under molecular ions collisions with slow electrons
International Nuclear Information System (INIS)
Andreev, E.A.
1993-01-01
A concept of a multichannel quantum defect is considered and basic theoretic ratios of inelastic collisional processes with the participation of molecular positive ions and slow electrons playing an important role both in atmospheric and laboratory plasma, are presented. The problem of scattering channel number limitation with the provision of S-matrix unique character is considered. Different models of electron rotation-vibrational connection under collision of two-atom molecular ions with slow electrons are analysed. Taking N 2 + as an example, a high efficiency of transitions between different electron states of a molecular ion is shown. 73 refs., 9 figs., 1 tab
Nuclear fission as a macroscopic quantum tunneling
International Nuclear Information System (INIS)
Takigawa, N.
1995-01-01
We discuss nuclear fission from the point of view of a macroscopic quantum tunneling, one of whose major interests is to study the effects of environments on the tunneling rate of a macroscopic variable. We show that a vibrational excitation of the fissioning nucleus significantly enhances the fission rate. We show this effect by two different methods. The one is to treat the vibrational excitation as an environmental degree of freedom, the other treats the fission as a two dimensional quantum tunneling. (author)
Czech Academy of Sciences Publication Activity Database
Voráčová, Ivona; Klepárník, Karel; Lišková, Marcela; Foret, František
2015-01-01
Roč. 36, č. 6 (2015), s. 867-874 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA14-28254S Institutional support: RVO:68081715 Keywords : CE * LIF * zeta-potential * quantum dots Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.482, year: 2015
D. Cho; W.L. Mattice; L.J. Porter; Richard W. Hemingway
1989-01-01
Excitation at 280 nm produces a structureless emission band with a maximum at 321-324 nm for dilute solutions of catechin, epicatechin, and their oligomers in l,4-dioxane or water. The fluorescence quantum yield, Q, has been measured in these two solvents for five dimers, a trimer, a tetramer, a pentamer, a hexamer, and a polymer in which the monomer...
Optical levitation of a mirror for reaching the standard quantum limit
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.
What is quantum in quantum randomness?
Grangier, P; Auffèves, A
2018-07-13
It is often said that quantum and classical randomness are of different nature, the former being ontological and the latter epistemological. However, so far the question of 'What is quantum in quantum randomness?', i.e. what is the impact of quantization and discreteness on the nature of randomness, remains to be answered. In a first part, we make explicit the differences between quantum and classical randomness within a recently proposed ontology for quantum mechanics based on contextual objectivity. In this view, quantum randomness is the result of contextuality and quantization. We show that this approach strongly impacts the purposes of quantum theory as well as its areas of application. In particular, it challenges current programmes inspired by classical reductionism, aiming at the emergence of the classical world from a large number of quantum systems. In a second part, we analyse quantum physics and thermodynamics as theories of randomness, unveiling their mutual influences. We finally consider new technological applications of quantum randomness that have opened up in the emerging field of quantum thermodynamics.This article is part of a discussion meeting issue 'Foundations of quantum mechanics and their impact on contemporary society'. © 2018 The Author(s).
Symmetry and symmetry breaking in quantum mechanics
International Nuclear Information System (INIS)
Chomaz, Philippe
1998-01-01
In the world of infinitely small, the world of atoms, nuclei and particles, the quantum mechanics enforces its laws. The discovery of Quanta, this unbelievable castration of the Possible in grains of matter and radiation, in discrete energy levels compels us of thinking the Single to comprehend the Universal. Quantum Numbers, magic Numbers and Numbers sign the wave. The matter is vibration. To describe the music of the world one needs keys, measures, notes, rules and partition: one needs quantum mechanics. The particles reduce themselves not in material points as the scholars of the past centuries thought, but they must be conceived throughout the space, in the accomplishment of shapes of volumes. When Einstein asked himself whether God plays dice, there was no doubt among its contemporaries that if He exists He is a geometer. In a Nature reduced to Geometry, the symmetries assume their role in servicing the Harmony. The symmetries allow ordering the energy levels to make them understandable. They impose there geometrical rules to the matter waves, giving them properties which sometimes astonish us. Hidden symmetries, internal symmetries and newly conceived symmetries have to be adopted subsequently to the observation of some order in this world of Quanta. In turn, the symmetries provide new observables which open new spaces of observation
Algebraic descriptions of nuclear and molecular rotation-vibration spectra
International Nuclear Information System (INIS)
Roosmalen, O.S. van.
1982-01-01
The application of algebraic models to the description of rotational and vibrational degrees of freedom of nuclei and molecules are discussed. Simple model Hamiltonians are shown to give good agreement with the energy spectra of diatomic molecules and nuclei. Some formal aspects of path integral methods for many-boson systems are treated. The two representations for the quantum mechanical propagator are compared and appear to be identical in leading order in 1/N (N is the number of bosons). Approximations for both are static and dynamic problems are discussed. Applications of mean field techniques are also treated. A description of tri- and tetra-atomic molecules in terms of a U(4)xU(4) and U(4)xU(4)xU(4) group structure is given. Linear molecules appear to correspond with symmetries of O(4) type. S-matrix elements are calculated to test mean field methods, and the results compared with exact calculations. (Auth.)
Pump-dump iterative squeezing of vibrational wave packets.
Chang, Bo Y; Sola, Ignacio R
2005-12-22
The free motion of a nonstationary vibrational wave packet in an electronic potential is a source of interesting quantum properties. In this work we propose an iterative scheme that allows continuous stretching and squeezing of a wave packet in the ground or in an excited electronic state, by switching the wave function between both potentials with pi pulses at certain times. Using a simple model of displaced harmonic oscillators and delta pulses, we derive the analytical solution and the conditions for its possible implementation and optimization in different molecules and electronic states. We show that the main constraining parameter is the pulse bandwidth. Although in principle the degree of squeezing (or stretching) is not bounded, the physical resources increase quadratically with the number of iterations, while the achieved squeezing only increases linearly.
Universal quantum computation by discontinuous quantum walk
International Nuclear Information System (INIS)
Underwood, Michael S.; Feder, David L.
2010-01-01
Quantum walks are the quantum-mechanical analog of random walks, in which a quantum ''walker'' evolves between initial and final states by traversing the edges of a graph, either in discrete steps from node to node or via continuous evolution under the Hamiltonian furnished by the adjacency matrix of the graph. We present a hybrid scheme for universal quantum computation in which a quantum walker takes discrete steps of continuous evolution. This ''discontinuous'' quantum walk employs perfect quantum-state transfer between two nodes of specific subgraphs chosen to implement a universal gate set, thereby ensuring unitary evolution without requiring the introduction of an ancillary coin space. The run time is linear in the number of simulated qubits and gates. The scheme allows multiple runs of the algorithm to be executed almost simultaneously by starting walkers one time step apart.
Quantum signatures of chaos or quantum chaos?
Energy Technology Data Exchange (ETDEWEB)
Bunakov, V. E., E-mail: bunakov@VB13190.spb.edu [St. Petersburg State University (Russian Federation)
2016-11-15
A critical analysis of the present-day concept of chaos in quantum systems as nothing but a “quantum signature” of chaos in classical mechanics is given. In contrast to the existing semi-intuitive guesses, a definition of classical and quantum chaos is proposed on the basis of the Liouville–Arnold theorem: a quantum chaotic system featuring N degrees of freedom should have M < N independent first integrals of motion (good quantum numbers) specified by the symmetry of the Hamiltonian of the system. Quantitative measures of quantum chaos that, in the classical limit, go over to the Lyapunov exponent and the classical stability parameter are proposed. The proposed criteria of quantum chaos are applied to solving standard problems of modern dynamical chaos theory.
Quantum signatures of chaos or quantum chaos?
International Nuclear Information System (INIS)
Bunakov, V. E.
2016-01-01
A critical analysis of the present-day concept of chaos in quantum systems as nothing but a “quantum signature” of chaos in classical mechanics is given. In contrast to the existing semi-intuitive guesses, a definition of classical and quantum chaos is proposed on the basis of the Liouville–Arnold theorem: a quantum chaotic system featuring N degrees of freedom should have M < N independent first integrals of motion (good quantum numbers) specified by the symmetry of the Hamiltonian of the system. Quantitative measures of quantum chaos that, in the classical limit, go over to the Lyapunov exponent and the classical stability parameter are proposed. The proposed criteria of quantum chaos are applied to solving standard problems of modern dynamical chaos theory.
Beecher, L. C.; Williams, F. T.
1970-01-01
Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.
Three-body interactions in liquid and solid hydrogen: Evidence from vibrational spectroscopy
Hinde, Robert
2008-03-01
In the cryogenic low-density liquid and solid phases of H2 and D2, the H2 and D2 molecules retain good rotational and vibrational quantum numbers that characterize their internal degrees of freedom. High-resolution infrared and Raman spectroscopic experiments provide extremely sensitive probes of these degrees of freedom. We present here fully-first-principles calculations of the infrared and Raman spectra of liquid and solid H2 and D2, calculations that employ a high-quality six-dimensional coupled-cluster H2-H2 potential energy surface and quantum Monte Carlo treatments of the single-molecule translational degrees of freedom. The computed spectra agree very well with experimental results once we include three-body interactions among the molecules, interactions which we also compute using coupled-cluster quantum chemical methods. We predict the vibrational spectra of liquid and solid H2 at several temperatures and densities to provide a framework for interpreting recent experiments designed to search for superfluid behavior in small H2 droplets. We also present preliminary calculations of the spectra of mixed H2/D2 solids that show how positional disorder affects the spectral line shapes in these systems.
Quantum Erasure: Quantum Interference Revisited
Walborn, Stephen P.; Cunha, Marcelo O. Terra; Pádua, Sebastião; Monken, Carlos H.
2005-01-01
Recent experiments in quantum optics have shed light on the foundations of quantum physics. Quantum erasers - modified quantum interference experiments - show that quantum entanglement is responsible for the complementarity principle.
Indian Academy of Sciences (India)
We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.
International Nuclear Information System (INIS)
Endou, Akira; Onuma, Hiroaki; Jung, Sun-ho
2007-01-01
Our original tight-binding quantum chemical molecular dynamics code, Colors', has been successfully applied to the theoretical investigation of complex materials including rare-earth elements, e.g., metal catalysts supported on a CeO 2 surface. To expand our code so as to obtain a good convergence for the electronic structure of a calculation system including a rare-earth element, we developed a novel algorithm to provide a constraint condition for the number of electrons occupying the selected molecular orbitals that mainly consist of 4f atomic orbitals of the rare-earth element. This novel algorithm was introduced in Colors. Using Colors, we succeeded in obtaining the classified electronic configurations of the 4f atomic orbitals of Ce 4+ and reduced Ce ions in a CeO 2 bulk model with one oxygen defect, which makes it difficult to obtain a good convergence using a conventional first-principles quantum chemical calculation code. (author)
Energy Technology Data Exchange (ETDEWEB)
Lee, So Young; Kang, Hyuk [Dept. of Chemistry, Ajou University, Suwon (Korea, Republic of)
2015-03-15
Hydrogen bonds between 3-aminophenol and three chlorine-substituted methanes (CHCl{sub 3}, CH{sub 2}Cl{sub 2}, and CH{sub 3}Cl) were quantum mechanically studied at MP2/aug-cc-pVDZ level. Several low-energy structures with a hydrogen bond were identified for all chlorinated methanes, and the properties of their C[BOND]H stretching vibrations were investigated. When it is hydrogen-bonded to 3-aminophenol (3AP), the C[BOND]H stretching frequency of CHCl{sub 3} is blue-shifted by 18–54 cm−1, and its IR absorption intensity is 48–74 times increased, depending on the isomer. The symmetric and antisymmetric C[BOND]H stretches of CH{sub 2}Cl{sub 2} and CH{sub 3}Cl are shifted in either direction by a few cm−1 upon hydrogen-bonding to 3AP, and their IR intensity was increased by a few times. It is concluded that all chlorinated methanes can make a π-hydrogen bond to 3AP but only CHCl{sub 3}, the one with the most chlorine atoms, makes a blue-shifting hydrogen bond, or an “antihydrogen bond”.
Recent advances in micro-vibration isolation
Liu, Chunchuan; Jing, Xingjian; Daley, Steve; Li, Fengming
2015-05-01
Micro-vibration caused by disturbance sources onboard spacecraft can severely degrade the working environment of sensitive payloads. Some notable vibration control methods have been developed particularly for the suppression or isolation of micro-vibration over recent decades. Usually, passive isolation techniques are deployed in aerospace engineering. Active isolators, however, are often proposed to deal with the low frequency vibration that is common in spacecraft. Active/passive hybrid isolation has also been effectively used in some spacecraft structures for a number of years. In semi-active isolation systems, the inherent structural performance can be adjusted to deal with variation in the aerospace environment. This latter approach is potentially one of the most practical isolation techniques for micro-vibration isolation tasks. Some emerging advanced vibration isolation methods that exploit the benefits of nonlinearity have also been reported in the literature. This represents an interesting and highly promising approach for solving some challenging problems in the area. This paper serves as a state-of-the-art review of the vibration isolation theory and/or methods which were developed, mainly over the last decade, specifically for or potentially could be used for, micro-vibration control.
Benefits of Spacecraft Level Vibration Testing
Gordon, Scott; Kern, Dennis L.
2015-01-01
NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.
Energy Technology Data Exchange (ETDEWEB)
Abram, I [Centre National d' Etudes des Telecommunications (CNET), 196 Avenue Henri Ravera, F-92220 Bagneux (France)
1999-02-01
Two of the most remarkable properties of light - squeezing and solitons - are being combined in a new generation of experiments that could revolutionize optics and communications. One area of application concerns the transmission and processing of classical (binary) information, in which the presence or absence of a soliton in a time-window corresponds to a ''1'' or ''0'', as in traditional optical-fibre communications. However, since solitons occur at fixed power levels, we do not have the luxury of being able to crank up the input power to improve the signal-to-noise ratio at the receiving end. Nevertheless, the exploitation of quantum effects such as squeezing could help to reduce noise and improve fidelity. In long-distance communications, where the signal is amplified every 50-100 kilometres or so, the soliton pulse is strongest just after the amplifier. Luckily this is where the bulk of the nonlinear interaction needed to maintain the soliton shape occurs. However, the pulse gets weaker as it propagates along the fibre, so the nonlinear interaction also becomes weakerand weaker. This means that dispersive effects become dominant until the next stage of amplification, where the nonlinearity takes over again. One problem is that quantum fluctuations in the amplifiers lead to random jumps in the central wavelength of the individual solitons, and this results in a random variation of the speed of individual solitons in the fibre. Several schemes have been devised to remove this excess noise and bring the train of solitons back to the orderly behaviour characteristic of a stable coherent state (e.g. the solitons could be passed through a spectral filter). Photon-number squeezing could also play a key role in solving this problem. For example, if the solitons are number-squeezed immediately after amplification, there will be a smaller uncertainty in the nonlinearity that keeps the soliton in shape and, therefore, there will also be less noise in the soliton. This
Vibration of hydraulic machinery
Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong
2013-01-01
Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...
Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W
2015-03-01
For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.
International Nuclear Information System (INIS)
Romney, B.; Barrau, A.; Vidotto, F.; Le Meur, H.; Noui, K.
2011-01-01
The loop quantum gravity is the only theory that proposes a quantum description of space-time and therefore of gravitation. This theory predicts that space is not infinitely divisible but that is has a granular structure at the Planck scale (10 -35 m). Another feature of loop quantum gravity is that it gets rid of the Big-Bang singularity: our expanding universe may come from the bouncing of a previous contracting universe, in this theory the Big-Bang is replaced with a big bounce. The loop quantum theory predicts also the huge number of quantum states that accounts for the entropy of large black holes. (A.C.)
International Nuclear Information System (INIS)
Punia, D. T.; Donnermeyer, D.; Pope, M.
1984-01-01
An apparatus to monitor and record, for an industrial environment, two natural frequencies with respect to a ''seated spinal system'', namely, approximately 10 Hz and approximately 4 Hz, the natural resonant frequencies of the spine. Raw acceleration signals are amplified, conditioned and filtered to allow only 20 Hz or less to pass. The signals are then divided into two respective channels, namely, below 20 Hz and below 8 Hz, following parallel paths through an amplitude detector and through a zero crossover detector, rectifier and digital filter. In each path the amplitude detector controls a storage flip-flop, which enables an associated decade counter when amplitude criteria are met. The digital filter supplies an output, via an AND gate, to the counter if both amplitude and frequency criteria are met. Thus, a count is stored in the counter if both amplitude and frequency criteria are met. EAch channel has an LED display which can be turned on, after exposure, to display the number of events recorded
Vibrations of bioionic liquids by ab initio molecular dynamics and vibrational spectroscopy.
Tanzi, Luana; Benassi, Paola; Nardone, Michele; Ramondo, Fabio
2014-12-26
Density functional theory and vibrational spectroscopy are used to investigate a class of bioionic liquids consisting of a choline cation and carboxylate anions. Through quantum mechanical studies of motionless ion pairs and molecular dynamics of small portions of the liquid, we have characterized important structural features of the ionic liquid. Hydrogen bonding produces stable ion pairs in the liquid and induces vibrational features of the carboxylate groups comparable with experimental results. Infrared and Raman spectra of liquids have been measured, and main bands have been assigned on the basis of theoretical spectra.
Mazzuca, James; Garashchuk, Sophya; Jakowski, Jacek
2014-03-01
It has been shown that the proton transfer in the enzymatic active site of soybean lipoxygenase-1 (SLO-1) occurs largely by a quantum tunneling mechanism. This study examined the role of local substrate vibrations on this proton tunneling reaction. We employ an approximate quantum trajectory (QT) dynamics method with linear quantum force. The electronic structure (ES) was calculated on-the-fly with a density functional tight binding (DFTB) method. This QTES-DFTB method scales linearly with number of trajectories, and the calculation of the quantum force is a small addition to the overall cost of trajectory dynamics. The active site was represented as a 44-atom system. Quantum effects were included only for the transferring proton, and substrate nuclei were treated classically. The effect of substrate vibrations was evaluated by freezing or relaxing the substrate nuclei. Trajectory calculations were performed at several temperatures ranging from 250-350 K, and rate constants were calculated through the quantum mechanical flux operator which depends on time-dependent correlation functions. It was found that the substrate motion reliably increases the rate constants, as well as the P/D kinetic isotope effect, by approximately 10% across all temperatures examined. NSF Grant No. CHE-1056188, APRA-NSF-EPS-0919436, and CHE-1048629, NICS Teragrid/Xsede TG-DMR110037.
Liu, Wei; Chen, Shu-Ming; Zhang, Jian; Wu, Chun-Wang; Wu, Wei; Chen, Ping-Xing
2015-03-01
It is widely believed that Shor’s factoring algorithm provides a driving force to boost the quantum computing research. However, a serious obstacle to its binary implementation is the large number of quantum gates. Non-binary quantum computing is an efficient way to reduce the required number of elemental gates. Here, we propose optimization schemes for Shor’s algorithm implementation and take a ternary version for factorizing 21 as an example. The optimized factorization is achieved by a two-qutrit quantum circuit, which consists of only two single qutrit gates and one ternary controlled-NOT gate. This two-qutrit quantum circuit is then encoded into the nine lower vibrational states of an ion trapped in a weakly anharmonic potential. Optimal control theory (OCT) is employed to derive the manipulation electric field for transferring the encoded states. The ternary Shor’s algorithm can be implemented in one single step. Numerical simulation results show that the accuracy of the state transformations is about 0.9919. Project supported by the National Natural Science Foundation of China (Grant No. 61205108) and the High Performance Computing (HPC) Foundation of National University of Defense Technology, China.
Implausibility of the vibrational theory of olfaction.
Block, Eric; Jang, Seogjoo; Matsunami, Hiroaki; Sekharan, Sivakumar; Dethier, Bérénice; Ertem, Mehmed Z; Gundala, Sivaji; Pan, Yi; Li, Shengju; Li, Zhen; Lodge, Stephene N; Ozbil, Mehmet; Jiang, Huihong; Penalba, Sonia F; Batista, Victor S; Zhuang, Hanyi
2015-05-26
The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of these compounds in vitro. Furthermore, the mouse (methylthio)methanethiol-recognizing receptor, MOR244-3, as well as other selected human and mouse ORs, responded similarly to normal, deuterated, and (13)C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d30 lacks the 1,380- to 1,550-cm(-1) IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of nonodorant molecular vibrational modes. These and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.
National Research Council Canada - National Science Library
Agarwal, G. S
2013-01-01
..., quantum metrology, spin squeezing, control of decoherence and many other key topics. Readers are guided through the principles of quantum optics and their uses in a wide variety of areas including quantum information science and quantum mechanics...
Transfer vibration through spine
Benyovszky, Adam
2012-01-01
Transfer Vibration through Spine Abstract In the bachelor project we deal with the topic of Transfer Vibration through Spine. The problem of TVS is trying to be solved by the critical review method. We analyse some diagnostic methods and methods of treatment based on this principle. Close attention is paid to the method of Transfer Vibration through Spine that is being currently solved by The Research Institute of Thermomechanics in The Czech Academy of Sciences in cooperation with Faculty of...
Quantum Instantons and Quantum Chaos
Jirari, H.; Kröger, H.; Luo, X. Q.; Moriarty, K. J. M.; Rubin, S. G.
1999-01-01
Based on a closed form expression for the path integral of quantum transition amplitudes, we suggest rigorous definitions of both, quantum instantons and quantum chaos. As an example we compute the quantum instanton of the double well potential.
International Nuclear Information System (INIS)
Xiang Guo-Yong; Guo Guang-Can
2013-01-01
The statistical error is ineluctable in any measurement. Quantum techniques, especially with the development of quantum information, can help us squeeze the statistical error and enhance the precision of measurement. In a quantum system, there are some quantum parameters, such as the quantum state, quantum operator, and quantum dimension, which have no classical counterparts. So quantum metrology deals with not only the traditional parameters, but also the quantum parameters. Quantum metrology includes two important parts: measuring the physical parameters with a precision beating the classical physics limit and measuring the quantum parameters precisely. In this review, we will introduce how quantum characters (e.g., squeezed state and quantum entanglement) yield a higher precision, what the research areas are scientists most interesting in, and what the development status of quantum metrology and its perspectives are. (topical review - quantum information)
Quantum Distinction: Quantum Distinctiones!
Zeps, Dainis
2009-01-01
10 pages; How many distinctions, in Latin, quantum distinctiones. We suggest approach of anthropic principle based on anthropic reference system which should be applied equally both in theoretical physics and in mathematics. We come to principle that within reference system of life subject of mathematics (that of thinking) should be equated with subject of physics (that of nature). For this reason we enter notions of series of distinctions, quantum distinction, and argue that quantum distinct...
Elements of quantum information
International Nuclear Information System (INIS)
Schleich, W.P.
2007-01-01
Elements of Quantum Information introduces the reader to the fascinating field of quantum information processing, which lives on the interface between computer science, physics, mathematics, and engineering. This interdisciplinary branch of science thrives on the use of quantum mechanics as a resource for high potential modern applications. With its wide coverage of experiments, applications, and specialized topics - all written by renowned experts - Elements of Quantum Information provides and indispensable, up-to-date account of the state of the art of this rapidly advancing field and takes the reader straight up to the frontiers of current research. The articles have first appeared as a special issue of the journal 'Fortschritte der Physik / Progress of Physics'. Since then, they have been carefully updated. The book will be an inspiring source of information and insight for anyone researching and specializing in experiments and theory of quantum information. Topics addressed in Elements of Quantum Information include - Cavity Quantum Electrodynamics - Segmented Paul Traps - Cold Atoms and Bose-Einstein Condensates in Microtraps, Optical Lattices, and on Atom Chips - Rydberg Gases - Factorization of Numbers with Physical Systems - Entanglement of Continuous Variables - NMR and Solid State Quantum Computation - Quantum Algorithms and Quantum Machines - Complexity Theory - Quantum Crytography. (orig.)
Vibration of imperfect rotating disk
Directory of Open Access Journals (Sweden)
Půst L.
2011-12-01
Full Text Available This study is concerned with the theoretical and numerical calculations of the flexural vibrations of a bladed disk. The main focus of this study is to elaborate the basic background for diagnostic and identification methods for ascertaining the main properties of the real structure or an experimental model of turbine disks. The reduction of undesirable vibrations of blades is proposed by using damping heads, which on the experimental model of turbine disk are applied only on a limited number of blades. This partial setting of damping heads introduces imperfection in mass, stiffness and damping distribution on the periphery and leads to more complicated dynamic properties than those of a perfect disk. Calculation of FEM model and analytic—numerical solution of disk behaviour in the limited (two modes frequency range shows the splitting of resonance with an increasing speed of disk rotation. The spectrum of resonance is twice denser than that of a perfect disk.
International Nuclear Information System (INIS)
Vedral, V.
2011-01-01
Quantum effects were long thought to be observed only in atomic or molecular systems. Recent experiments made in various domains have showed that quantum phenomena are also present at a macroscopic scale. Entanglement is an essential quantum phenomenon that links together systems without references to time and space. In 2003 an experiment showed that the 10 20 atoms of a piece of salt were entangled. In 2010 an experiment showed that a 40 μm long micro-plank could vibrate at 2 frequencies simultaneously. A bird is thought to orient itself during its migratory flight through a quantum process occurring in its eyes: photons from the sun could destroy the collective state of spin of one of the electron pairs of a molecule present in the bird retina. This quantum process repeated many times could generate a signal strong enough to enable the bird to get sensitive to the tilt of the earth magnetic field. (A.C.)
Quantum Computing in Fock Space Systems
Berezin, Alexander A.
1997-04-01
Fock space system (FSS) has unfixed number (N) of particles and/or degrees of freedom. In quantum computing (QC) main requirement is sustainability of coherent Q-superpositions. This normally favoured by low noise environment. High excitation/high temperature (T) limit is hence discarded as unfeasible for QC. Conversely, if N is itself a quantized variable, the dimensionality of Hilbert basis for qubits may increase faster (say, N-exponentially) than thermal noise (likely, in powers of N and T). Hence coherency may win over T-randomization. For this type of QC speed (S) of factorization of long integers (with D digits) may increase with D (for 'ordinary' QC speed polynomially decreases with D). This (apparent) paradox rests on non-monotonic bijectivity (cf. Georg Cantor's diagonal counting of rational numbers). This brings entire aleph-null structurality ("Babylonian Library" of infinite informational content of integer field) to superposition determining state of quantum analogue of Turing machine head. Structure of integer infinititude (e.g. distribution of primes) results in direct "Platonic pressure" resembling semi-virtual Casimir efect (presure of cut-off vibrational modes). This "effect", the embodiment of Pythagorean "Number is everything", renders Godelian barrier arbitrary thin and hence FSS-based QC can in principle be unlimitedly efficient (e.g. D/S may tend to zero when D tends to infinity).
Mechanical vibration and shock analysis, sinusoidal vibration
Lalanne, Christian
2014-01-01
Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m
Spectroscopic probes of vibrationally excited molecules at chemically significant energies
Energy Technology Data Exchange (ETDEWEB)
Rizzo, T.R. [Univ. of Rochester, NY (United States)
1993-12-01
This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.
Hydroelastic Vibrations of Ships
DEFF Research Database (Denmark)
Jensen, Jørgen Juncher; Folsø, Rasmus
2002-01-01
A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...
Surface vibrational spectroscopy
International Nuclear Information System (INIS)
Erskine, J.L.
1984-01-01
A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations
Gearbox vibration diagnostic analyzer
1992-01-01
This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.
Handbook Of Noise And Vibration
International Nuclear Information System (INIS)
1995-12-01
This book is about noise and vibration. The first chapter has explanations of noise such as basic of sound, influence of noise, assessment of noise, measurement of prevention of noise and technology, case of noise measurement and soundproof. The second chapter describes vibration with outline, theory of vibration, interpretation of vibration, measurement for reduction of vibration, case of design of protection against vibration. It deals with related regulation and method of measurement.
Rotational laser cooling of vibrationally and translationally cold molecular ions
DEFF Research Database (Denmark)
Staanum, Peter; Højbjerre, Klaus; Skyt, Peter Sandegaard
2010-01-01
Stationary molecules in well-defined internal states are of broad interest for physics and chemistry. In physics, this includes metrology 1, 2, 3 , quantum computing 4, 5 and many-body quantum mechanics 6, 7 , whereas in chemistry, state-prepared molecular targets are of interest for uni......-molecular reactions with coherent light fields 8, 9 , for quantum-state-selected bi-molecular reactions 10, 11, 12 and for astrochemistry 12 . Here, we demonstrate rotational ground-state cooling of vibrationally and translationally cold MgH+ ions, using a laser-cooling scheme based on excitation of a single...
Vibration insensitive interferometry
Millerd, James; Brock, Neal; Hayes, John; Kimbrough, Brad; North-Morris, Michael; Wyant, James C.
2017-11-01
The largest limitation of phase-shifting interferometry for optical testing is the sensitivity to the environment, both vibration and air turbulence. An interferometer using temporal phase-shifting is very sensitive to vibration because the various phase shifted frames of interferometric data are taken at different times and vibration causes the phase shifts between the data frames to be different from what is desired. Vibration effects can be reduced by taking all the phase shifted frames simultaneously and turbulence effects can be reduced by averaging many measurements. There are several techniques for simultaneously obtaining several phase-shifted interferograms and this paper will discuss two such techniques: 1) Simultaneous phase-shifting interferometry on a single detector array (PhaseCam) and 2) Micropolarizer phase-shifting array. The application of these techniques for the testing of large optical components, measurement of vibrational modes, the phasing of segmented optical components, and the measurement of deformations of large diffuse structures is described.
Vibrations of rotating machinery
Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick
2017-01-01
This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...
A quantum computer only needs one universe
Steane, A. M.
2000-01-01
The nature of quantum computation is discussed. It is argued that, in terms of the amount of information manipulated in a given time, quantum and classical computation are equally efficient. Quantum superposition does not permit quantum computers to ``perform many computations simultaneously'' except in a highly qualified and to some extent misleading sense. Quantum computation is therefore not well described by interpretations of quantum mechanics which invoke the concept of vast numbers of ...
International Nuclear Information System (INIS)
Donovan, Robert J.; Lawley, Kenneth P.; Ridley, Trevor
2015-01-01
We report the identification of heavy Rydberg resonances in the ion-pair spectra of I 2 , Cl 2 , ICl, and IBr. Extensive vibrational progressions are analysed in terms of the energy dependence of the quantum defect δ(E b ) rather than as Dunham expansions. This is shown to define the heavy Rydberg region, providing a more revealing fit to the data with fewer coefficients and leads just as easily to numbering data sets separated by gaps in the observed vibrational progressions. Interaction of heavy Rydberg states with electronic Rydberg states at avoided crossings on the inner wall of the ion-pair potential is shown to produce distinctive changes in the energy dependence of δ(E b ), with weak and strong interactions readily distinguished. Heavy Rydberg behaviour is found to extend well below near-dissociation states, down to vibrational levels ∼18 000-20 000 cm −1 below dissociation. The rapid semi-classical calculation of δ(E b ) for heavy Rydberg states is emphasised and shows their absolute magnitude to be essentially the volume of phase space excluded from the vibrational motion by avoiding core-core penetration of the ions
International Nuclear Information System (INIS)
Chirikov, B.V.
1991-01-01
The overview of recent developments in the theory of quantum chaos is presented with the special emphasis on a number of unsolved problems and current apparent contradictions. The relation between dynamical quantum chaos and statistical random matrix theory is discussed. 97 refs
Eliëns, I.S.
2017-01-01
The rules of quantum mechanics are simple and well understood, yet the collective behavior of large numbers of interacting constituents still hosts many mysteries. Even for models built from the simplest of quantum components, namely qubits or equivalently the spin-1/2 magnetic moment of fundamental
Quantum features of semiconductor quantum dots
International Nuclear Information System (INIS)
Lozada-Cassou, M.; Dong Shihai; Yu Jiang
2004-01-01
The exact solutions of the two-dimensional Schrodinger equation with the position-dependent mass for the square well potential in the semiconductor quantum dots system are obtained. The eigenvalues, which are closely related to the position-dependent masses μ1 and μ2, the potential well depth V0 and the radius of the quantum dots r0, can be calculated from two boundary conditions. We generalize this quantum system to three-dimensional case. The special cases for the angular momentum quantum number l=0, 1, 2 are studied in some detail. We find that the energy levels are proportional to the parameters μ2, V0 and r0 for l=0. The relations between them for l=1, 2 become very complicated. The scattering states of this quantum system are mentioned briefly
Greiner, Walter
2009-01-01
This textbook on Quantum Electrodynamics is a thorough introductory text providing all necessary mathematical tools together with many examples and worked problems. In their presentation of the subject the authors adopt a heuristic approach based on the propagator formalism. The latter is introduced in the first two chapters in both its nonrelativistic and relativistic versions. Subsequently, a large number of scattering and radiation processes involving electrons, positrons, and photons are introduced and their theoretical treatment is presented in great detail. Higher order processes and renormalization are also included. The book concludes with a discussion of two-particle states and the interaction of spinless bosons. This completely revised and corrected new edition provides several additions to enable deeper insight in formalism and application of quantum electrodynamics.
Threshold quantum cryptography
International Nuclear Information System (INIS)
Tokunaga, Yuuki; Okamoto, Tatsuaki; Imoto, Nobuyuki
2005-01-01
We present the concept of threshold collaborative unitary transformation or threshold quantum cryptography, which is a kind of quantum version of threshold cryptography. Threshold quantum cryptography states that classical shared secrets are distributed to several parties and a subset of them, whose number is greater than a threshold, collaborates to compute a quantum cryptographic function, while keeping each share secretly inside each party. The shared secrets are reusable if no cheating is detected. As a concrete example of this concept, we show a distributed protocol (with threshold) of conjugate coding
Decoherence control in quantum computing with simple chirped ...
Indian Academy of Sciences (India)
strate this with selective control of decoherence for a multilevel system with a simple ... The concept of quantum computer (QC) has attracted considerable attention ... as intramolecular vibrational relaxation (IVR), which is the most important ...
International Nuclear Information System (INIS)
Vladimirov, V.S.; Volovich, I.V.
1988-01-01
Quantum mechanics above the field of p-adic numbers is constructed. Three formulations of p-adic quantum mechanics are considered: 1) quantum mechanics with complex-valued wave functions and p-adic coordinates and pulses; an approach based on Weyl representation is suggested; 2) the probability (Euclidean) formulation; 3) the secondary quantization representation (Fock representation) with p-adic wave functions
Coherent control of quantum dots
DEFF Research Database (Denmark)
Johansen, Jeppe; Lodahl, Peter; Hvam, Jørn Märcher
In recent years much effort has been devoted to the use of semiconductor quantum dotsystems as building blocks for solid-state-based quantum logic devices. One importantparameter for such devices is the coherence time, which determines the number ofpossible quantum operations. From earlier...
Quantum walks, quantum gates, and quantum computers
International Nuclear Information System (INIS)
Hines, Andrew P.; Stamp, P. C. E.
2007-01-01
The physics of quantum walks on graphs is formulated in Hamiltonian language, both for simple quantum walks and for composite walks, where extra discrete degrees of freedom live at each node of the graph. It is shown how to map between quantum walk Hamiltonians and Hamiltonians for qubit systems and quantum circuits; this is done for both single-excitation and multiexcitation encodings. Specific examples of spin chains, as well as static and dynamic systems of qubits, are mapped to quantum walks, and walks on hyperlattices and hypercubes are mapped to various gate systems. We also show how to map a quantum circuit performing the quantum Fourier transform, the key element of Shor's algorithm, to a quantum walk system doing the same. The results herein are an essential preliminary to a Hamiltonian formulation of quantum walks in which coupling to a dynamic quantum environment is included
Experimental entanglement of 25 individually accessible atomic quantum interfaces.
Pu, Yunfei; Wu, Yukai; Jiang, Nan; Chang, Wei; Li, Chang; Zhang, Sheng; Duan, Luming
2018-04-01
A quantum interface links the stationary qubits in a quantum memory with flying photonic qubits in optical transmission channels and constitutes a critical element for the future quantum internet. Entanglement of quantum interfaces is an important step for the realization of quantum networks. Through heralded detection of photon interference, we generate multipartite entanglement between 25 (or 9) individually addressable quantum interfaces in a multiplexed atomic quantum memory array and confirm genuine 22-partite (or 9-partite) entanglement. This experimental entanglement of a record-high number of individually addressable quantum interfaces makes an important step toward the realization of quantum networks, long-distance quantum communication, and multipartite quantum information processing.
International Nuclear Information System (INIS)
Ryu, Jeong Soo; Yoon, Doo Byung
2005-01-01
HANARO is an open-tank-in-pool type research reactor with a thermal power of 30MW. In order to remove the heat generated by the reactor core and the reflector vessel, primary cooling pumps and reflector cooling pumps circulate coolant. These pumps are installed at the RCI(Reactor Concrete Island) which is covered by heavy concrete hatches. For the prevention of an abnormal operation of these pumps in the RCI, it is necessary to construct a vibration monitoring system that provides an alarm signal to the reactor control room when the rotating speed or the vibration level exceeds the allowable limit. The first objective of this work is to construct a vibration monitoring system for HANARO's rotating machinery. The second objective is to verify the possibility of condition monitoring of the rotating machinery. To construct a vibration monitoring system, as a first step, the standards and references related to the vibration monitoring system were investigated. In addition, to determine the number and the location of sensors that can effectively characterize the overall vibration of a pump, the vibration of the primary cooling pumps and the reflector cooling pumps were measured. Based on these results, detailed construction plans for the vibration monitoring system for HANARO were established. Then, in accordance with the construction plans, the vibration monitoring system for HANARO's rotating machinery was manufactured and installed at HANARO. To achieve the second objective, FFT analysis and bearing fault detection of the measured vibration signals were performed. The analysis results demonstrate that the accelerometers mounted at the bearing locations of the pumps can effectively monitor the pump condition
Quantum physics meets biology.
Arndt, Markus; Juffmann, Thomas; Vedral, Vlatko
2009-12-01
Quantum physics and biology have long been regarded as unrelated disciplines, describing nature at the inanimate microlevel on the one hand and living species on the other hand. Over the past decades the life sciences have succeeded in providing ever more and refined explanations of macroscopic phenomena that were based on an improved understanding of molecular structures and mechanisms. Simultaneously, quantum physics, originally rooted in a world-view of quantum coherences, entanglement, and other nonclassical effects, has been heading toward systems of increasing complexity. The present perspective article shall serve as a "pedestrian guide" to the growing interconnections between the two fields. We recapitulate the generic and sometimes unintuitive characteristics of quantum physics and point to a number of applications in the life sciences. We discuss our criteria for a future "quantum biology," its current status, recent experimental progress, and also the restrictions that nature imposes on bold extrapolations of quantum theory to macroscopic phenomena.
Emergent mechanics, quantum and un-quantum
Ralston, John P.
2013-10-01
There is great interest in quantum mechanics as an "emergent" phenomenon. The program holds that nonobvious patterns and laws can emerge from complicated physical systems operating by more fundamental rules. We find a new approach where quantum mechanics itself should be viewed as an information management tool not derived from physics nor depending on physics. The main accomplishment of quantum-style theory comes in expanding the notion of probability. We construct a map from macroscopic information as data" to quantum probability. The map allows a hidden variable description for quantum states, and efficient use of the helpful tools of quantum mechanics in unlimited circumstances. Quantum dynamics via the time-dependent Shroedinger equation or operator methods actually represents a restricted class of classical Hamiltonian or Lagrangian dynamics, albeit with different numbers of degrees of freedom. We show that under wide circumstances such dynamics emerges from structureless dynamical systems. The uses of the quantum information management tools are illustrated by numerical experiments and practical applications
Coherent Dynamics of a Hybrid Quantum Spin-Mechanical Oscillator System
Lee, Kenneth William, III
A fully functional quantum computer must contain at least two important components: a quantum memory for storing and manipulating quantum information and a quantum data bus to securely transfer information between quantum memories. Typically, a quantum memory is composed of a matter system, such as an atom or an electron spin, due to their prolonged quantum coherence. Alternatively, a quantum data bus is typically composed of some propagating degree of freedom, such as a photon, which can retain quantum information over long distances. Therefore, a quantum computer will likely be a hybrid quantum device, consisting of two or more disparate quantum systems. However, there must be a reliable and controllable quantum interface between the memory and bus in order to faithfully interconvert quantum information. The current engineering challenge for quantum computers is scaling the device to large numbers of controllable quantum systems, which will ultimately depend on the choice of the quantum elements and interfaces utilized in the device. In this thesis, we present and characterize a hybrid quantum device comprised of single nitrogen-vacancy (NV) centers embedded in a high quality factor diamond mechanical oscillator. The electron spin of the NV center is a leading candidate for the realization of a quantum memory due to its exceptional quantum coherence times. On the other hand, mechanical oscillators are highly sensitive to a wide variety of external forces, and have the potential to serve as a long-range quantum bus between quantum systems of disparate energy scales. These two elements are interfaced through crystal strain generated by vibrations of the mechanical oscillator. Importantly, a strain interface allows for a scalable architecture, and furthermore, opens the door to integration into a larger quantum network through coupling to an optical interface. There are a few important engineering challenges associated with this device. First, there have been no
Vibration monitoring with artificial neural networks
International Nuclear Information System (INIS)
Alguindigue, I.
1991-01-01
Vibration monitoring of components in nuclear power plants has been used for a number of years. This technique involves the analysis of vibration data coming from vital components of the plant to detect features which reflect the operational state of machinery. The analysis leads to the identification of potential failures and their causes, and makes it possible to perform efficient preventive maintenance. Earlydetection is important because it can decrease the probability of catastrophic failures, reduce forced outgage, maximize utilization of available assets, increase the life of the plant, and reduce maintenance costs. This paper documents our work on the design of a vibration monitoring methodology based on neural network technology. This technology provides an attractive complement to traditional vibration analysis because of the potential of neural network to operate in real-time mode and to handle data which may be distorted or noisy. Our efforts have been concentrated on the analysis and classification of vibration signatures collected from operating machinery. Two neural networks algorithms were used in our project: the Recirculation algorithm for data compression and the Backpropagation algorithm to perform the actual classification of the patterns. Although this project is in the early stages of development it indicates that neural networks may provide a viable methodology for monitoring and diagnostics of vibrating components. Our results to date are very encouraging
Quantum computing for pattern classification
Schuld, Maria; Sinayskiy, Ilya; Petruccione, Francesco
2014-01-01
It is well known that for certain tasks, quantum computing outperforms classical computing. A growing number of contributions try to use this advantage in order to improve or extend classical machine learning algorithms by methods of quantum information theory. This paper gives a brief introduction into quantum machine learning using the example of pattern classification. We introduce a quantum pattern classification algorithm that draws on Trugenberger's proposal for measuring the Hamming di...
Silicon micromachined vibrating gyroscopes
Voss, Ralf
1997-09-01
This work gives an overview of silicon micromachined vibrating gyroscopes. Market perspectives and fields of application are pointed out. The advantage of using silicon micromachining is discussed and estimations of the desired performance, especially for automobiles are given. The general principle of vibrating gyroscopes is explained. Vibrating silicon gyroscopes can be divided into seven classes. for each class the characteristic principle is presented and examples are given. Finally a specific sensor, based on a tuning fork for automotive applications with a sensitivity of 250(mu) V/degrees is described in detail.
System Detects Vibrational Instabilities
Bozeman, Richard J., Jr.
1990-01-01
Sustained vibrations at two critical frequencies trigger diagnostic response or shutdown. Vibration-analyzing electronic system detects instabilities of combustion in rocket engine. Controls pulse-mode firing of engine and identifies vibrations above threshold amplitude at 5.9 and/or 12kHz. Adapted to other detection and/or control schemes involving simultaneous real-time detection of signals above or below preset amplitudes at two or more specified frequencies. Potential applications include rotating machinery and encoders and decoders in security systems.
Lanzani, Guglielmo; De Silvestri, Sandro
2007-01-01
Vibrational spectroscopy is a powerful investigation tool for a wide class of materials covering diverse areas in physics, chemistry and biology. The continuous development in the laser field regarding ultrashort pulse generation has led to the possibility of producing light pulses that can follow vibrational motion coupled to the electronic transitions in molecules and solids in real time. Aimed at researchers and graduate students using vibrational spectroscopy, this book provides both introductory chapters as well as more advanced contents reporting on recent progress. It also provides a good starting point for scientists seeking a sound introduction to ultrafast optics and spectroscopic techniques.
Quantum optics including noise reduction, trapped ions, quantum trajectories, and decoherence
Orszag, Miguel
2016-01-01
This new edition gives a unique and broad coverage of basic laser-related phenomena that allow graduate students, scientists and engineers to carry out research in quantum optics and laser physics. It covers quantization of the electromagnetic field, quantum theory of coherence, atom-field interaction models, resonance fluorescence, quantum theory of damping, laser theory using both the master equation and the Langevin theory, the correlated emission laser, input-output theory with applications to non-linear optics, quantum trajectories, quantum non-demolition measurements and generation of non-classical vibrational states of ions in a Paul trap. In this third edition, there is an enlarged chapter on trapped ions, as well as new sections on quantum computing and quantum bits with applications. There is also additional material included for quantum processing and entanglement. These topics are presented in a unified and didactic manner, each chapter is accompanied by specific problems and hints to solutions to...
Vibrational effects on surface energies and band gaps in hexagonal and cubic ice
International Nuclear Information System (INIS)
Engel, Edgar A.; Needs, Richard J.; Monserrat, Bartomeu
2016-01-01
Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.
Chang, Mou-Hsiung
2015-01-01
The classical probability theory initiated by Kolmogorov and its quantum counterpart, pioneered by von Neumann, were created at about the same time in the 1930s, but development of the quantum theory has trailed far behind. Although highly appealing, the quantum theory has a steep learning curve, requiring tools from both probability and analysis and a facility for combining the two viewpoints. This book is a systematic, self-contained account of the core of quantum probability and quantum stochastic processes for graduate students and researchers. The only assumed background is knowledge of the basic theory of Hilbert spaces, bounded linear operators, and classical Markov processes. From there, the book introduces additional tools from analysis, and then builds the quantum probability framework needed to support applications to quantum control and quantum information and communication. These include quantum noise, quantum stochastic calculus, stochastic quantum differential equations, quantum Markov semigrou...
Quantum Illumination with Noiseless Linear Amplifier
International Nuclear Information System (INIS)
Zhang Sheng-Li; Wang -Kun; Guo Jian-Sheng; Shi Jian-Hong
2015-01-01
Quantum illumination, that is, quantum target detection, is to detect the potential target with two-mode quantum entangled state. For a given transmitted energy, the quantum illumination can achieve a target-detection probability of error much lower than the illumination scheme without entanglement. We investigate the usefulness of noiseless linear amplification (NLA) for quantum illumination. Our result shows that NLA can help to substantially reduce the number of quantum entangled states collected for joint measurement of multi-copy quantum state. Our analysis on the NLA-assisted scheme could help to develop more efficient schemes for quantum illumination. (paper)
Large electron transfer rate effects from the Duschinsky mixing of vibrations
DEFF Research Database (Denmark)
Sando, Gerald M.; Spears, Kenneth G; Hupp, Joseph T
2001-01-01
vibrations are very important. The Duschinsky effect arises when two electronic states have vibrational normal mode coordinate systems that are rotated and translated relative to each other. We use a conventional quantum rate model for ET, and the examples include 6-8 vibrations, where two vibrational modes...... are mixed with different amounts of coordinate rotation. The multidimensional Franck-Condon factors (FCF) are computed with standard algorithms and recently developed recursion relations. When displaced, totally symmetric modes are involved, rates with Duschinsky mixing can increase several orders...
Interaction of spin and vibrations in transport through single-molecule magnets
Directory of Open Access Journals (Sweden)
Falk May
2011-10-01
Full Text Available We study electron transport through a single-molecule magnet (SMM and the interplay of its anisotropic spin with quantized vibrational distortions of the molecule. Based on numerical renormalization group calculations we show that, despite the longitudinal anisotropy barrier and small transverse anisotropy, vibrational fluctuations can induce quantum spin-tunneling (QST and a QST-Kondo effect. The interplay of spin scattering, QST and molecular vibrations can strongly enhance the Kondo effect and induce an anomalous magnetic field dependence of vibrational Kondo side-bands.
Interaction of spin and vibrations in transport through single-molecule magnets.
May, Falk; Wegewijs, Maarten R; Hofstetter, Walter
2011-01-01
We study electron transport through a single-molecule magnet (SMM) and the interplay of its anisotropic spin with quantized vibrational distortions of the molecule. Based on numerical renormalization group calculations we show that, despite the longitudinal anisotropy barrier and small transverse anisotropy, vibrational fluctuations can induce quantum spin-tunneling (QST) and a QST-Kondo effect. The interplay of spin scattering, QST and molecular vibrations can strongly enhance the Kondo effect and induce an anomalous magnetic field dependence of vibrational Kondo side-bands.
International Nuclear Information System (INIS)
Williams, Ruth M
2006-01-01
A review is given of a number of approaches to discrete quantum gravity, with a restriction to those likely to be relevant in four dimensions. This paper is dedicated to Rafael Sorkin on the occasion of his sixtieth birthday
Scarani, Valerio
1998-01-01
The aim of this thesis was to explain what quantum computing is. The information for the thesis was gathered from books, scientific publications, and news articles. The analysis of the information revealed that quantum computing can be broken down to three areas: theories behind quantum computing explaining the structure of a quantum computer, known quantum algorithms, and the actual physical realizations of a quantum computer. The thesis reveals that moving from classical memor...
Wu, Lian-Ao; Lidar, Daniel A.
2005-01-01
When quantum communication networks proliferate they will likely be subject to a new type of attack: by hackers, virus makers, and other malicious intruders. Here we introduce the concept of "quantum malware" to describe such human-made intrusions. We offer a simple solution for storage of quantum information in a manner which protects quantum networks from quantum malware. This solution involves swapping the quantum information at random times between the network and isolated, distributed an...
Nonsynchronous vibrations observed in a supercritical power transmission shaft
Darlow, M. S.; Zorzi, E. S.
1979-01-01
A flexible shaft is prone to a number of vibration phenomena which occur at frequencies other than synchronous with rotational speed. Nonsynchronous vibrations from several sources were observed while running a test rig designed to simulate the operation of a supercritical power transmission shaft. The test rig was run first with very light external damping and then with a higher level of external damping, for comparison. As a result, the effect of external damping on the nonsynchronous vibrations of the test rig was observed. All of these nonsynchronous vibrations were of significant amplitude. Their presence in the vibrations spectra for a supercritical power transmission shaft at various speeds in the operating range indicates that very careful attention to all of the vibration spectra should be made in any supercritical power transmission shafting. This paper presents a review of the analysis performed and a comparison with experimental data. A thorough discussion of the observed nonsynchronous whirl is also provided.
PREFACE: Vibrations at surfaces Vibrations at surfaces
Rahman, Talat S.
2011-12-01
This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of
Quantumness beyond quantum mechanics
International Nuclear Information System (INIS)
Sanz, Ángel S
2012-01-01
Bohmian mechanics allows us to understand quantum systems in the light of other quantum traits than the well-known ones (coherence, diffraction, interference, tunnelling, discreteness, entanglement, etc.). Here the discussion focusses precisely on two of these interesting aspects, which arise when quantum mechanics is thought within this theoretical framework: the non-crossing property, which allows for distinguishability without erasing interference patterns, and the possibility to define quantum probability tubes, along which the probability remains constant all the way. Furthermore, taking into account this hydrodynamic-like description as a link, it is also shown how this knowledge (concepts and ideas) can be straightforwardly transferred to other fields of physics (for example, the transmission of light along waveguides).
DEFF Research Database (Denmark)
Nielsen, Søren R. K.
The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration th...... theory is unchanged in comparison to the 3rd edition. Only a few errors have been corrected.......The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration...
Improved Laser Vibration Radar
National Research Council Canada - National Science Library
Hilaire, Pierre
1998-01-01
.... This thesis reconfigured an existing CO2 laboratory laser radar system that is capable of measuring the frequencies of vibration of a simulated target into a more compact and rugged form for field testing...
NIF Ambient Vibration Measurements
International Nuclear Information System (INIS)
Noble, C.R.; Hoehler, M.S.; S.C. Sommer
1999-01-01
LLNL has an ongoing research and development project that includes developing data acquisition systems with remote wireless communication for monitoring the vibrations of large civil engineering structures. In order to establish the capability of performing remote sensing over an extended period of time, the researchers needed to apply this technology to a real structure. The construction of the National Ignition Facility provided an opportunity to test the data acquisition system on a large structure to monitor whether the facility is remaining within the strict ambient vibration guidelines. This document will briefly discuss the NIF ambient vibration requirements and summarize the vibration measurements performed during the Spring and Summer of 1999. In addition, a brief description of the sensors and the data acquisition systems will be provided in Appendix B
Energy Technology Data Exchange (ETDEWEB)
Alekhin, S.A.; Denisenko, V.V.; Dzhalalov, M.G.; Kirichek, F.P.; Pitatel, Yu.A.; Prokopov, L.I.; Tikhonov, Yu.P.
1982-01-01
A vibration sieve is proposed which includes a vibration drive, a body and a screen installed on shock absorbers, a device for washing out the screen, and a subassembly for loading the material. To increase the operational reliability and effectiveness of the vibration sieve by improving the cleaning of the screen, the loading subassembly is equipped with a baffle with a lever which is hinged to it. The device for washing out the screen is made in the form of an electromagnet with a connecting rod, a switch and an eccentric, a friction ratchet mechanism and sprinkling systems. Here, the latter are interconnected, using a connecting rod, while the sprinkling system is installed on rollers under the screen. The electromagnetic switch is installed under the lever. The body is made with grooves for installing the sprinkling system. The vibration sieve is equipped with a switch which interacts with the connecting rod. The friction ratchet mechanism is equipped with a lug.
Semiclassical theory of plate vibrations
International Nuclear Information System (INIS)
Bogomolny, E.; Hugues, E.
1996-11-01
The bi-harmonic equation of flexural vibrations of elastic plates is studied by a semiclassical method which can easily be generalized for other models of wave propagation. The surface and perimeter terms of the asymptotic number of levels are derived exactly. The next constant term is also derived. A semiclassical approximation of the quantization condition is obtained. A Berry-Tabor formula and a Gutzwiller trace formula are deduced for the integrable and chaotic cases respectively. From 600 eigenvalues of a clamped stadium plate obtained by a specially developed numerical algorithm, the trace formula is assessed, looking at its Fourier transform compared with the membrane case. (author)
Quantum Mechanical Earth: Where Orbitals Become Orbits
Keeports, David
2012-01-01
Macroscopic objects, although quantum mechanical by nature, conform to Newtonian mechanics under normal observation. According to the quantum mechanical correspondence principle, quantum behavior is indistinguishable from classical behavior in the limit of very large quantum numbers. The purpose of this paper is to provide an example of the…
Optomechanical proposal for monitoring microtubule mechanical vibrations
Czech Academy of Sciences Publication Activity Database
Barzanjeh, Sh.; Salari, V.; Tuszynski, J. A.; Cifra, Michal; Simon, C.
2017-01-01
Roč. 96, č. 1 (2017), č. článku 012404. ISSN 2470-0045 R&D Projects: GA ČR(CZ) GA15-17102S Grant - others:AV ČR(CZ) SAV-15-22 Program:Bilaterální spolupráce Institutional support: RVO:67985882 Keywords : Vibrational modes * Microtubule * Resonance frequencies Subject RIV: BH - Optics, Masers, Lasers OBOR OECD: Optics (including laser optics and quantum optics) Impact factor: 2.366, year: 2016
Quantum optics of optomechanical networks
International Nuclear Information System (INIS)
Stannigel, K.
2012-01-01
This thesis proposes various setups in which micro-mechanical resonators and optomechanical systems can be combined with other quantum systems, such as solid-state qubits or atomic ensembles, in a beneficial way. These hybrid systems open up new ways for quantum control, and several protocols and applications for quantum information processing and, in particular, for quantum networks are presented. Part I describes an optically mediated coupling between the vibrational modes of a semi-transparent dielectric membrane and the center-of-mass motion of an atomic ensemble. Using the sophisticated toolbox available for the control of atomic systems, this setting enables an indirect manipulation of the membrane, including, for example, cooling it to the vibrational ground state. A fully quantum mechanical treatment of this open system is given in terms of the quantum stochastic Schrödinger equation. In Part II we explore the potential of optomechanical systems for quantum information processing applications. First, we introduce the concept of an optomechanical transducer, where a micro-mechanical resonator mediates an interaction between a solid-state based qubit on the one hand, and photons in an optical cavity on the other hand. The resulting qubit-light interface is shown to enable quantum state transfers between two distant solid-state qubits, thereby making them available for quantum networking applications. Second, we study multi-mode optomechanical systems in the single-photon single-phonon strong coupling regime. We predict quantum signatures of this interaction, which could be observed in future experiments, and provide a route towards possible applications of these systems as quantum information processing units. Part III presents a dissipative state preparation scheme for cascaded quantum networks. In such networks excitations can only propagate along a single spatial direction and the optomechanical transducer represents one way of realizing them. We show, in
Structural Stability and Vibration
DEFF Research Database (Denmark)
Wiggers, Sine Leergaard; Pedersen, Pauli
This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....
Energy Technology Data Exchange (ETDEWEB)
Philip J. Reid
2009-09-21
The conference focuses on using vibrational spectroscopy to probe structure and dynamics of molecules in gases, liquids, and interfaces. The goal is to bring together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of systems.
Nonlinear Dynamics In Quantum Physics -- Quantum Chaos and Quantum Instantons
Kröger, H.
2003-01-01
We discuss the recently proposed quantum action - its interpretation, its motivation, its mathematical properties and its use in physics: quantum mechanical tunneling, quantum instantons and quantum chaos.
Aliat, A; Vedula, P; Josyula, E
2011-02-01
In this paper a simple model is proposed for computation of rate coefficients related to vibration-translation transitions based on the forced harmonic oscillator theory. This model, which is developed by considering a quadrature method, provides rate coefficients that are in very good agreement with those found in the literature for the high temperature regime (≳10,000 K). This model is implemented to study a one-dimensional nonequilibrium inviscid N(2) flow behind a plane shock by considering a state-to-state approach. While the effects of ionization and chemical reactions are neglected in our study, our results show that multiquantum transitions have a great influence on the relaxation of the macroscopic parameters of the gas flow behind the shock, especially on vibrational distributions of high levels. All vibrational states are influenced by multiquantum processes, but the effective number of transitions decreases inversely according to the vibrational quantum number. For the initial conditions considered in this study, excited electronic states are found to be weakly populated and can be neglected in modeling. Moreover, the computing time is considerably reduced with the model described in this paper compared to others found in the literature. ©2011 American Physical Society
Quantum entanglement and quantum information in biological systems (DNA)
Hubač, Ivan; Švec, Miloslav; Wilson, Stephen
2017-12-01
Recent studies of DNA show that the hydrogen bonds between given base pairs can be treated as diabatic systems with spin-orbit coupling. For solid state systems strong diabaticity and spin-orbit coupling the possibility of forming Majorana fermions has been discussed. We analyze the hydrogen bonds in the base pairs in DNA from this perspective. Our analysis is based on a quasiparticle supersymmetric transformation which couples electronic and vibrational motion and includes normal coordinates and the corresponding momenta. We define qubits formed by Majorana fermions in the hydrogen bonds and also discuss the entangled states in base pairs. Quantum information and quantum entropy are introduced. In addition to the well-known classical information connected with the DNA base pairs, we also consider quantum information and show that the classical and quantum information are closely connected.
Quantum mechanics and the particles of nature. An outline for mathematicians
Energy Technology Data Exchange (ETDEWEB)
Sudbery, Anthony
1986-01-01
The book gives the basic theoretical concepts of quantum mechanics and particle physics, and is aimed at the final year undergraduates in mathematics or physics. The contents contain seven chapters on:-particles and forces, quantum statics, quantum dynamics, quantum systems, quantum metaphysics, quantum numbers and quantum fields.
A 'general boundary' formulation for quantum mechanics and quantum gravity
International Nuclear Information System (INIS)
Oeckl, Robert
2003-01-01
I propose to formalize quantum theories as topological quantum field theories in a generalized sense, associating state spaces with boundaries of arbitrary (and possibly finite) regions of space-time. I further propose to obtain such 'general boundary' quantum theories through a generalized path integral quantization. I show how both, non-relativistic quantum mechanics and quantum field theory can be given a 'general boundary' formulation. Surprisingly, even in the non-relativistic case, features normally associated with quantum field theory emerge from consistency conditions. This includes states with arbitrary particle number and pair creation. I also note how three-dimensional quantum gravity is an example for a realization of both proposals and suggest to apply them to four-dimensional quantum gravity
Lambda-matrices and vibrating systems
Lancaster, Peter
2002-01-01
Features aspects and solutions of problems of linear vibrating systems with a finite number of degrees of freedom. Starts with development of necessary tools in matrix theory, followed by numerical procedures for relevant matrix formulations and relevant theory of differential equations. Minimum of mathematical abstraction; assumes a familiarity with matrix theory, elementary calculus. 1966 edition.
Kuruvilla, Tintu K.; Prasana, Johanan Christian; Muthu, S.; George, Jacob
2018-04-01
The spectroscopic properties of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno [3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine were investigated in the present study using FT-IR and FT-Raman techniques. The results obtained were compared with quantum mechanical methods, as it serves as an important tool in interpreting and predicting vibrational spectra. The optimized molecular geometry, the vibrational wavenumbers, the infrared intensities and Raman scattering were calculated using density functional theory B3LYP method with 6-311++g (d,p) basis set. All the experimental results were in line with the theoretical data. The molecular electrostatic potential (MEP) and HOMO LUMO energies of the title compound were accounted. The results indicated that the title compound has a lower softness value (0.27) and high electrophilicity index (4.98) hence describing its biological activity. Further, natural bond orbital was also analyzed as part of the work. Fukui functions were calculated in order to explain the chemical selectivity or the reactivity site in 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno [3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine. The thermodynamic properties of the title compound were closely examined at different temperatures. It revealed the correlations between heat capacity (C), entropy (S) and enthalpy changes (H) with temperatures. The paper further explains that the title compound can act as good antidepressant through molecular docking studies.
Handbook of relativistic quantum chemistry
International Nuclear Information System (INIS)
Liu, Wenjian
2017-01-01
This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.
Handbook of relativistic quantum chemistry
Energy Technology Data Exchange (ETDEWEB)
Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering
2017-03-01
This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.
Development of a screening procedure for vibrational fatigue in small bore piping
International Nuclear Information System (INIS)
Smith, J.K.; Riccardella, P.C.; Gosselin, S.R.
1995-01-01
Approximately 80% of the documented fatigue failures in nuclear power plants are caused by high cycle vibrational fatigue. These failures typically occur in socket welded pipe fittings in small bore piping (2 in. nominal diameter and smaller). These failures have been unexpected, and have caused costly, unscheduled outages in some cases. In order to reduce the number of vibrational fatigue failures in operating nuclear power plants, a vibrational fatigue screening procedure has been developed under Electric Power Research Institute (EPRI) sponsorship. The purpose of this paper is to describe this procedure, and to discuss topics related to vibrational fatigue failures. These topics include sources of vibration in nuclear power plants, the effect of socket welds on vibrational fatigue failures, vibrational fatigue screening criteria for small bore piping systems, and good design practices for reducing the number of vibrational fatigue failures in small bore piping
International Nuclear Information System (INIS)
Anon.
1990-01-01
The book is on quantum mechanics. The emphasis is on the basic concepts and the methodology. The chapters include: Breakdown of classical concepts; Quantum mechanical concepts; Basic postulates of quantum mechanics; solution of problems in quantum mechanics; Simple harmonic oscillator; and Angular Momentum
International Nuclear Information System (INIS)
Buechler, Hans Peter; Calcarco, Tommaso; Dressel, Martin
2008-01-01
The following topics are dealt with: Artificial atoms and molecules, tailored from solids, fractional flux quanta, molecular magnets, controlled interaction in quantum gases, the theory of quantum correlations in mott matter, cold gases, and mesoscopic systems, Bose-Einstein condensates on the chip, on the route to the quantum computer, a quantum computer in diamond. (HSI)
International Nuclear Information System (INIS)
Reynaud, S.; Giacobino, S.; Zinn-Justin, J.
1997-01-01
This course is dedicated to present in a pedagogical manner the recent developments in peculiar fields concerned by quantum fluctuations: quantum noise in optics, light propagation through dielectric media, sub-Poissonian light generated by lasers and masers, quantum non-demolition measurements, quantum electrodynamics applied to cavities and electrical circuits involving superconducting tunnel junctions. (A.C.)
Decoherence in adiabatic quantum computation
Albash, Tameem; Lidar, Daniel A.
2015-06-01
Recent experiments with increasingly larger numbers of qubits have sparked renewed interest in adiabatic quantum computation, and in particular quantum annealing. A central question that is repeatedly asked is whether quantum features of the evolution can survive over the long time scales used for quantum annealing relative to standard measures of the decoherence time. We reconsider the role of decoherence in adiabatic quantum computation and quantum annealing using the adiabatic quantum master-equation formalism. We restrict ourselves to the weak-coupling and singular-coupling limits, which correspond to decoherence in the energy eigenbasis and in the computational basis, respectively. We demonstrate that decoherence in the instantaneous energy eigenbasis does not necessarily detrimentally affect adiabatic quantum computation, and in particular that a short single-qubit T2 time need not imply adverse consequences for the success of the quantum adiabatic algorithm. We further demonstrate that boundary cancellation methods, designed to improve the fidelity of adiabatic quantum computing in the closed-system setting, remain beneficial in the open-system setting. To address the high computational cost of master-equation simulations, we also demonstrate that a quantum Monte Carlo algorithm that explicitly accounts for a thermal bosonic bath can be used to interpolate between classical and quantum annealing. Our study highlights and clarifies the significantly different role played by decoherence in the adiabatic and circuit models of quantum computing.
Siegel, Z.; Siegel, Edward Carl-Ludwig
2011-03-01
RANDOMNESS of Numbers cognitive-semantics DEFINITION VIA Cognition QUERY: WHAT???, NOT HOW?) VS. computer-``science" mindLESS number-crunching (Harrel-Sipser-...) algorithmics Goldreich "PSEUDO-randomness"[Not.AMS(02)] mea-culpa is ONLY via MAXWELL-BOLTZMANN CLASSICAL-STATISTICS(NOT FDQS!!!) "hot-plasma" REPULSION VERSUS Newcomb(1881)-Weyl(1914;1916)-Benford(1938) "NeWBe" logarithmic-law digit-CLUMPING/ CLUSTERING NON-Randomness simple Siegel[AMS Joint.Mtg.(02)-Abs. # 973-60-124] algebraic-inversion to THE QUANTUM and ONLY BEQS preferentially SEQUENTIALLY lower-DIGITS CLUMPING/CLUSTERING with d = 0 BEC, is ONLY VIA Siegel-Baez FUZZYICS=CATEGORYICS (SON OF TRIZ)/"Category-Semantics"(C-S), latter intersection/union of Lawvere(1964)-Siegel(1964)] category-theory (matrix: MORPHISMS V FUNCTORS) "+" cognitive-semantics'' (matrix: ANTONYMS V SYNONYMS) yields Siegel-Baez FUZZYICS=CATEGORYICS/C-S tabular list-format matrix truth-table analytics: MBCS RANDOMNESS TRUTH/EMET!!!
Lanzagorta, Marco
2011-01-01
This book offers a concise review of quantum radar theory. Our approach is pedagogical, making emphasis on the physics behind the operation of a hypothetical quantum radar. We concentrate our discussion on the two major models proposed to date: interferometric quantum radar and quantum illumination. In addition, this book offers some new results, including an analytical study of quantum interferometry in the X-band radar region with a variety of atmospheric conditions, a derivation of a quantum radar equation, and a discussion of quantum radar jamming.This book assumes the reader is familiar w
Entangled states in quantum mechanics
Ruža, Jānis
2010-01-01
In some circles of quantum physicists, a view is maintained that the nonseparability of quantum systems-i.e., the entanglement-is a characteristic feature of quantum mechanics. According to this view, the entanglement plays a crucial role in the solution of quantum measurement problem, the origin of the “classicality” from the quantum physics, the explanation of the EPR paradox by a nonlocal character of the quantum world. Besides, the entanglement is regarded as a cornerstone of such modern disciplines as quantum computation, quantum cryptography, quantum information, etc. At the same time, entangled states are well known and widely used in various physics areas. In particular, this notion is widely used in nuclear, atomic, molecular, solid state physics, in scattering and decay theories as well as in other disciplines, where one has to deal with many-body quantum systems. One of the methods, how to construct the basis states of a composite many-body quantum system, is the so-called genealogical decomposition method. Genealogical decomposition allows one to construct recurrently by particle number the basis states of a composite quantum system from the basis states of its forming subsystems. These coupled states have a structure typical for entangled states. If a composite system is stable, the internal structure of its forming basis states does not manifest itself in measurements. However, if a composite system is unstable and decays onto its forming subsystems, then the measurables are the quantum numbers, associated with these subsystems. In such a case, the entangled state has a dynamical origin, determined by the Hamiltonian of the corresponding decay process. Possible correlations between the quantum numbers of resulting subsystems are determined by the symmetries-conservation laws of corresponding dynamical variables, and not by the quantum entanglement feature.
Towards quantum chemistry on a quantum computer.
Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G
2010-02-01
Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.
International Nuclear Information System (INIS)
Robinett, R.W.
2004-01-01
The numerical prediction, theoretical analysis, and experimental verification of the phenomenon of wave packet revivals in quantum systems has flourished over the last decade and a half. Quantum revivals are characterized by initially localized quantum states which have a short-term, quasi-classical time evolution, which then can spread significantly over several orbits, only to reform later in the form of a quantum revival in which the spreading reverses itself, the wave packet relocalizes, and the semi-classical periodicity is once again evident. Relocalization of the initial wave packet into a number of smaller copies of the initial packet ('minipackets' or 'clones') is also possible, giving rise to fractional revivals. Systems exhibiting such behavior are a fundamental realization of time-dependent interference phenomena for bound states with quantized energies in quantum mechanics and are therefore of wide interest in the physics and chemistry communities. We review the theoretical machinery of quantum wave packet construction leading to the existence of revivals and fractional revivals, in systems with one (or more) quantum number(s), as well as discussing how information on the classical period and revival time is encoded in the energy eigenvalue spectrum. We discuss a number of one-dimensional model systems which exhibit revival behavior, including the infinite well, the quantum bouncer, and others, as well as several two-dimensional integrable quantum billiard systems. Finally, we briefly review the experimental evidence for wave packet revivals in atomic, molecular, and other systems, and related revival phenomena in condensed matter and optical systems
A new vibrational level of the H2+ molecular ion
International Nuclear Information System (INIS)
Carbonell, J.; Lazauskas, R.; Delande, D.; Hilico, L.; Kilic, S.; Hilico, L.; Kilic, S.
2003-01-01
A new vibrational level of the molecular ion H 2 + with binding energy of 1.09 x 10 -9 a.u. ∼ 30 neV below the first dissociation limit is predicted, using highly accurate numerical non-relativistic quantum calculations, which go beyond the Born-Oppenheimer approximation. It is the first-excited vibrational level v=1 of the 2pσ u electronic state, antisymmetric with respect to the exchange of the two protons, with orbital angular momentum L=0. It manifests itself as a huge p - H scattering length of a = 750 ± 5 Bohr radii. (authors)
Lee, Christopher M; Chen, Xing; Weiss, Philip A; Jensen, Lasse; Kim, Seong H
2017-01-05
Vibrational sum-frequency-generation (SFG) spectroscopy is capable of selectively detecting crystalline biopolymers interspersed in amorphous polymer matrices. However, the spectral interpretation is difficult due to the lack of knowledge on how spatial arrangements of crystalline segments influence SFG spectra features. Here we report time-dependent density functional theory (TD-DFT) calculations of cellulose crystallites in intimate contact with two different polarities: parallel versus antiparallel. TD-DFT calculations reveal that the CH/OH intensity ratio is very sensitive to the polarity of the crystallite packing. Theoretical calculations of hyperpolarizability tensors (β abc ) clearly show the dependence of SFG intensities on the polarity of crystallite packing within the SFG coherence length, which provides the basis for interpretation of the empirically observed SFG features of native cellulose in biological systems.
Quantum correlations of light and matter through environmental transitions
DEFF Research Database (Denmark)
Iles-Smith, Jake; Nazir, Ahsan
2016-01-01
-state and atomic systems. Here we predict a striking and important example of such an effect. We show that in solid-state cavity quantum electrodynamics, interactions with the host vibrational environment can generate quantum cavity-emitter correlations in regimes that are semiclassical for atomic systems...
Vibration transducer calibration techniques
Brinkley, D. J.
1980-09-01
Techniques for the calibration of vibration transducers used in the Aeronautical Quality Assurance Directorate of the British Ministry of Defence are presented. Following a review of the types of measurements necessary in the calibration of vibration transducers, the performance requirements of vibration transducers, which can be used to measure acceleration, velocity or vibration amplitude, are discussed, with particular attention given to the piezoelectric accelerometer. Techniques for the accurate measurement of sinusoidal vibration amplitude in reference-grade transducers are then considered, including the use of a position sensitive photocell and the use of a Michelson laser interferometer. Means of comparing the output of working-grade accelerometers with that of previously calibrated reference-grade devices are then outlined, with attention given to a method employing a capacitance bridge technique and a method to be used at temperatures between -50 and 200 C. Automatic calibration procedures developed to speed up the calibration process are outlined, and future possible extensions of system software are indicated.
DEFF Research Database (Denmark)
Acampora, Antonio
This dissertation investigates the conditions that promote rain-wind-induced vibrations of inclined cable on cable-stayed bridges. Rain-wind-induced vibrations are known as the most common type of cable vibrations and capable of severe vibrations. The recent increase in the number of cable stayed...... bridges continuously becoming longer and lighter have resulted in a high number of observations of cable vibrations. A theoretical background for the tool used in this work is presented in terms of cables vibrations mechanisms, aerodynamic damping and system identification techniques. A detailed...... literature review of reported observations of rain-wind-induced cable vibrations of fullscale bridges is shown. The database of observed events on bridges collects information about the conditions that likely develop the phenomenon, together with the means used to suppress or reduce the occurrence of cable...
Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M; Bačić, Zlatko
2018-04-14
We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H 2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H 2 in the v=0 and v=1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H 2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H 2 inside a hydrate domain is assumed to be pairwise additive. The H 2 -H 2 O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H 2 , v=0 or v=1, is derived from the high-quality ab initio full-dimensional (9D) PES of the H 2 -H 2 O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H 2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H 2 change very little with the domain size, unlike the H 2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H 2 O molecules in the first three complete hydration shells around H 2 .
Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M.; Bačić, Zlatko
2018-04-01
We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H2 in the v =0 and v =1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H2 inside a hydrate domain is assumed to be pairwise additive. The H2-H2O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H2, v =0 or v =1 , is derived from the high-quality ab initio full-dimensional (9D) PES of the H2-H2O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H2 change very little with the domain size, unlike the H2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H2O molecules in the first three complete hydration shells around H2.
International Nuclear Information System (INIS)
Kilin, Sergei Ya
1999-01-01
A new research direction known as quantum information is a multidisciplinary subject which involves quantum mechanics, optics, information theory, programming, discrete mathematics, laser physics and spectroscopy, and depends heavily on contributions from such areas as quantum computing, quantum teleportation and quantum cryptography, decoherence studies, and single-molecule and impurity spectroscopy. Some new results achieved in this rapidly growing field are discussed. (reviews of topical problems)
Energy Technology Data Exchange (ETDEWEB)
Kilin, Sergei Ya [B.I. Stepanov Institute of Physics, National Academy of Sciences of Belarus, Minsk (Belarus)
1999-05-31
A new research direction known as quantum information is a multidisciplinary subject which involves quantum mechanics, optics, information theory, programming, discrete mathematics, laser physics and spectroscopy, and depends heavily on contributions from such areas as quantum computing, quantum teleportation and quantum cryptography, decoherence studies, and single-molecule and impurity spectroscopy. Some new results achieved in this rapidly growing field are discussed. (reviews of topical problems)
International Nuclear Information System (INIS)
Stapp, H.P.
1988-12-01
Quantum ontologies are conceptions of the constitution of the universe that are compatible with quantum theory. The ontological orientation is contrasted to the pragmatic orientation of science, and reasons are given for considering quantum ontologies both within science, and in broader contexts. The principal quantum ontologies are described and evaluated. Invited paper at conference: Bell's Theorem, Quantum Theory, and Conceptions of the Universe, George Mason University, October 20-21, 1988. 16 refs
Quantum information with Rydberg atoms
DEFF Research Database (Denmark)
Saffman, Mark; Walker, T.G.; Mølmer, Klaus
2010-01-01
Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....
Bowman, Joel M.; Gazdy, Bela; Bentley, Joseph A.; Lee, Timothy J.; Dateo, Christopher E.
1993-01-01
A potential energy surface for the HCN/HNC system which is a fit to extensive, high-quality ab initio, coupled-cluster calculations is presented. All HCN and HNC states with energies below the energy of the first delocalized state are reported and characterized. Vibrational transition energies are compared with all available experimental data on HCN and HNC, including high CH-overtone states up to 23,063/cm. A simulation of the (A-tilde)-(X-tilde) stimulated emission pumping (SEP) spectrum is also reported, and the results are compared to experiment. Franck-Condon factors are reported for odd bending states of HCN, with one quantum of vibrational angular momentum, in order to compare with the recent assignment by Jonas et al. (1992), on the basis of axis-switching arguments of a number of previously unassigned states in the SEP spectrum.
Energy Technology Data Exchange (ETDEWEB)
Halverson, Thomas, E-mail: tom.halverson@ttu.edu; Poirier, Bill [Department of Chemistry and Biochemistry and Department of Physics, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States)
2014-05-28
‘‘Exact” quantum dynamics calculations of vibrational spectra are performed for two molecular systems of widely varying dimensionality (P{sub 2}O and CH{sub 2}NH), using a momentum-symmetrized Gaussian basis. This basis has been previously shown to defeat exponential scaling of computational cost with system dimensionality. The calculations were performed using the new “SWITCHBLADE” black-box code, which utilizes both dimensionally independent algorithms and massive parallelization to compute very large numbers of eigenstates for any fourth-order force field potential, in a single calculation. For both molecules considered here, many thousands of vibrationally excited states were computed, to at least an “intermediate” level of accuracy (tens of wavenumbers). Future modifications to increase the accuracy to “spectroscopic” levels, along with other potential future improvements of the new code, are also discussed.
Quantum Computer Games: Quantum Minesweeper
Gordon, Michal; Gordon, Goren
2010-01-01
The computer game of quantum minesweeper is introduced as a quantum extension of the well-known classical minesweeper. Its main objective is to teach the unique concepts of quantum mechanics in a fun way. Quantum minesweeper demonstrates the effects of superposition, entanglement and their non-local characteristics. While in the classical…
DEFF Research Database (Denmark)
Abdali, Salim; Jensen, Morten Østergaard; Bohr, Henrik
2003-01-01
This paper describes a theoretical and experimental study of [Leu]enkephalin conformations with respect to the quantum estates of the atomic structure of the peptide. Results from vibrational absorption measurements and quantum calculations are used to outline a quantum picture and to assign vibr...
Exotic quantum order in low-dimensional systems
Girvin, S. M.
1998-08-01
Strongly correlated quantum systems in low dimensions often exhibit novel quantum ordering. This ordering is sometimes hidden and can be revealed only by examining new "dual" types of correlations. Such ordering leads to novel collection modes and fractional quantum numbers. Examples will be presented from quantum spin chains and the quantum Hall effect.
Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.
Tao, Yunwen; Tian, Chuan; Verma, Niraj; Zou, Wenli; Wang, Chao; Cremer, Dieter; Kraka, Elfi
2018-05-08
Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA), to extract the intrinsic fragmental vibrations of any fragment/subsystem from the whole system via the evaluation of the corresponding effective Hessian matrix. The retention of the curvature information with regard to the potential energy surface for the effective Hessian matrix endows our approach with a concrete physical basis and enables the normal vibrational modes of different molecular systems to be legitimately comparable. Furthermore, the intrinsic fragmental vibrations act as a new link between the Konkoli-Cremer local vibrational modes and the normal vibrational modes.
Nokes, L D; Thorne, G C
1988-01-01
Measurements of various mechanical properties of skeletal material using vibration techniques have been reported. The purposes of such investigations include the monitoring of pathogenic disorders such as osteoporosis, the rate and extent of fracture healing, and the status of internal fixations. Early investigations pioneered the application of conventional vibration measurement equipment to biological systems. The more recent advent of the microcomputer has made available to research groups more sophisticated techniques for data acquisition and analysis. The economical advantages of such equipment has led to the development of portable research instrumentation which lends itself to use in a clinical environment. This review article reports on the developments and progression of the various vibrational techniques and theories as applied to musculoskeletal systems.
Classical and quantum-mechanical axioms with the higher time derivative formalism
International Nuclear Information System (INIS)
Kamalov, Timur
2013-01-01
A Newtonian mechanics model is essentially the model of a point body in an inertial reference frame. How to describe extended bodies in non-inertial (vibration) reference frames with the random initial conditions? One of the most generalized ways of descriptions (known as the higher derivatives formalism) consists in taking into account the infinite number of the higher temporal derivatives of the coordinates in the Lagrange function. Such formalism describing physical objects in the infinite dimensions space does not contradict to the quantum mechanics and infinite dimensions Hilbert space.
International Nuclear Information System (INIS)
Todorov, T.D.
1980-01-01
The set of asymptotic numbers A as a system of generalized numbers including the system of real numbers R, as well as infinitely small (infinitesimals) and infinitely large numbers, is introduced. The detailed algebraic properties of A, which are unusual as compared with the known algebraic structures, are studied. It is proved that the set of asymptotic numbers A cannot be isomorphically embedded as a subspace in any group, ring or field, but some particular subsets of asymptotic numbers are shown to be groups, rings, and fields. The algebraic operation, additive and multiplicative forms, and the algebraic properties are constructed in an appropriate way. It is shown that the asymptotic numbers give rise to a new type of generalized functions quite analogous to the distributions of Schwartz allowing, however, the operation multiplication. A possible application of these functions to quantum theory is discussed
Vibrational spectra of aminoacetonitrile
International Nuclear Information System (INIS)
Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.
1975-01-01
The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)
Kaliski, S
2013-01-01
This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth
DEFF Research Database (Denmark)
Nielsen, Søren R. K.
The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 2nd edition of this textbook on linear stochastic vibration th...... theory is basically unchanged in comparison to the 1st edition. Only section 4.2 on single input - single output systems and chapter 6 on offshore structures have been modified in order to enhance the clearness....
State resolved vibrational relaxation modeling for strongly nonequilibrium flows
Boyd, Iain D.; Josyula, Eswar
2011-05-01
Vibrational relaxation is an important physical process in hypersonic flows. Activation of the vibrational mode affects the fundamental thermodynamic properties and finite rate relaxation can reduce the degree of dissociation of a gas. Low fidelity models of vibrational activation employ a relaxation time to capture the process at a macroscopic level. High fidelity, state-resolved models have been developed for use in continuum gas dynamics simulations based on computational fluid dynamics (CFD). By comparison, such models are not as common for use with the direct simulation Monte Carlo (DSMC) method. In this study, a high fidelity, state-resolved vibrational relaxation model is developed for the DSMC technique. The model is based on the forced harmonic oscillator approach in which multi-quantum transitions may become dominant at high temperature. Results obtained for integrated rate coefficients from the DSMC model are consistent with the corresponding CFD model. Comparison of relaxation results obtained with the high-fidelity DSMC model shows significantly less excitation of upper vibrational levels in comparison to the standard, lower fidelity DSMC vibrational relaxation model. Application of the new DSMC model to a Mach 7 normal shock wave in carbon monoxide provides better agreement with experimental measurements than the standard DSMC relaxation model.
Heterogeneous Dynamics of Coupled Vibrations
Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E
2009-01-01
Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.
Hansson, J E; Eklund, L; Kihlberg, S; Ostergren, C E
1987-03-01
The main objective of the study was to find efficient hand tools which caused only minor vibration loading. Vibration measurements were carried out under standardised working conditions. The time during which car body repairers in seven companies were exposed to vibration was determined. Chisel hammers, impact wrenches, sanders and saws were the types of tools which generated the highest vibration accelerations. The average daily exposure at the different garages ranged from 22 to 70 min. The risk of vibration injury is currently rated as high. The difference between the highest and lowest levels of vibration was considerable in most tool categories. Therefore the choice of tool has a major impact on the magnitude of vibration exposure. The importance of choosing the right tools and working methods is discussed and a counselling service on vibration is proposed.