Search results for: Quantum Mechanics
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 327

Search results for: Quantum Mechanics

327 A Programmer’s Survey of the Quantum Computing Paradigm

Authors: Philippe Jorrand

Abstract:

Research in quantum computation is looking for the consequences of having information encoding, processing and communication exploit the laws of quantum physics, i.e. the laws which govern the ultimate knowledge that we have, today, of the foreign world of elementary particles, as described by quantum mechanics. This paper starts with a short survey of the principles which underlie quantum computing, and of some of the major breakthroughs brought by the first ten to fifteen years of research in this domain; quantum algorithms and quantum teleportation are very biefly presented. The next sections are devoted to one among the many directions of current research in the quantum computation paradigm, namely quantum programming languages and their semantics. A few other hot topics and open problems in quantum information processing and communication are mentionned in few words in the concluding remarks, the most difficult of them being the physical implementation of a quantum computer. The interested reader will find a list of useful references at the end of the paper.

Keywords: Quantum information processing, quantum algorithms, quantum programming languages.

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326 Unconditionally Secure Quantum Payment System

Authors: Essam Al-Daoud

Abstract:

A potentially serious problem with current payment systems is that their underlying hard problems from number theory may be solved by either a quantum computer or unanticipated future advances in algorithms and hardware. A new quantum payment system is proposed in this paper. The suggested system makes use of fundamental principles of quantum mechanics to ensure the unconditional security without prior arrangements between customers and vendors. More specifically, the new system uses Greenberger-Home-Zeilinger (GHZ) states and Quantum Key Distribution to authenticate the vendors and guarantee the transaction integrity.

Keywords: Bell state, GHZ state, Quantum key distribution, Quantum payment system.

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325 The Applications of Quantum Mechanics Simulation for Solvent Selection in Chemicals Separation

Authors: Attapong T., Hong-Ming Ku, Nakarin M., Narin L., Alisa L, Jirut W.

Abstract:

The quantum mechanics simulation was applied for calculating the interaction force between 2 molecules based on atomic level. For the simple extractive distillation system, it is ternary components consisting of 2 closed boiling point components (A,lower boiling point and B, higher boiling point) and solvent (S). The quantum mechanics simulation was used to calculate the intermolecular force (interaction force) between the closed boiling point components and solvents consisting of intermolecular between A-S and B-S. The requirement of the promising solvent for extractive distillation is that solvent (S) has to form stronger intermolecular force with only one component than the other component (A or B). In this study, the systems of aromatic-aromatic, aromatic-cycloparaffin, and paraffindiolefin systems were selected as the demonstration for solvent selection. This study defined new term using for screening the solvents called relative interaction force which is calculated from the quantum mechanics simulation. The results showed that relative interaction force gave the good agreement with the literature data (relative volatilities from the experiment). The reasons are discussed. Finally, this study suggests that quantum mechanics results can improve the relative volatility estimation for screening the solvents leading to reduce time and money consuming

Keywords: Extractive distillation, Interaction force, Quamtum mechanic, Relative volatility, Solvent extraction.

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324 Process Analysis through Length Consistency

Authors: James E. Ponder

Abstract:

The requirement for consistency in physics can sometimes offer a common ground between disciplines such that their fundamental equations share a common parameter set and mathematical method for equation extraction. The parameter set shared by Relativity and Quantum Wave Mechanics enables an analysis which will be seen to be very straightforward, primarily classical in nature using linear algebra concepts, yet deriving a theoretical estimate of the value of the Gravitational Constant along with dependencies never before known.

Keywords: Gravitational Constant, Physical Consistency, Quantum Mechanics, Relativity.

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323 Entanglement-based Quantum Computing by Diagrams of States

Authors: Sara Felloni, Giuliano Strini

Abstract:

We explore entanglement in composite quantum systems and how its peculiar properties are exploited in quantum information and communication protocols by means of Diagrams of States, a novel method to graphically represent and analyze how quantum information is elaborated during computations performed by quantum circuits. We present quantum diagrams of states for Bell states generation, measurements and projections, for dense coding and quantum teleportation, for probabilistic quantum machines designed to perform approximate quantum cloning and universal NOT and, finally, for quantum privacy amplification based on entanglement purification. Diagrams of states prove to be a useful approach to analyze quantum computations, by offering an intuitive graphic representation of the processing of quantum information. They also help in conceiving novel quantum computations, from describing the desired information processing to deriving the final implementation by quantum gate arrays.

Keywords: Diagrams of states, entanglement, quantum circuits, quantum information.

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322 Analysis of Network Performance Using Aspect of Quantum Cryptography

Authors: Nisarg A. Patel, Hiren B. Patel

Abstract:

Quantum cryptography is described as a point-to-point secure key generation technology that has emerged in recent times in providing absolute security. Researchers have started studying new innovative approaches to exploit the security of Quantum Key Distribution (QKD) for a large-scale communication system. A number of approaches and models for utilization of QKD for secure communication have been developed. The uncertainty principle in quantum mechanics created a new paradigm for QKD. One of the approaches for use of QKD involved network fashioned security. The main goal was point-to-point Quantum network that exploited QKD technology for end-to-end network security via high speed QKD. Other approaches and models equipped with QKD in network fashion are introduced in the literature as. A different approach that this paper deals with is using QKD in existing protocols, which are widely used on the Internet to enhance security with main objective of unconditional security. Our work is towards the analysis of the QKD in Mobile ad-hoc network (MANET).

Keywords: QKD, cryptography, quantum cryptography, network performance.

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321 A Functional Interpretation of Quantum Theory

Authors: Hans H. Diel

Abstract:

In this paper a functional interpretation of quantum theory (QT) with emphasis on quantum field theory (QFT) is proposed. Besides the usual statements on relations between a functions initial state and final state, a functional interpretation also contains a description of the dynamic evolution of the function. That is, it describes how things function. The proposed functional interpretation of QT/QFT has been developed in the context of the author-s work towards a computer model of QT with the goal of supporting the largest possible scope of QT concepts. In the course of this work, the author encountered a number of problems inherent in the translation of quantum physics into a computer program. He came to the conclusion that the goal of supporting the major QT concepts can only be satisfied, if the present model of QT is supplemented by a "functional interpretation" of QT/QFT. The paper describes a proposal for that

Keywords: Computability, Foundation of Quantum Mechanics, Measurement Problem, Models of Physics.

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320 A Physical Theory of Information vs. a Mathematical Theory of Communication

Authors: Manouchehr Amiri

Abstract:

This article presents a general notion of physical bit information that is compatible with the basics of quantum mechanics and incorporates the Shannon entropy as a special case. This notion of physical information leads to the Binary Data Matrix model (BDM), which predicts the basic results of quantum mechanics, general relativity, and black hole thermodynamics. The compatibility of the model with holographic, information conservation, and Landauer’s principle is investigated. After deriving the “Bit Information principle” as a consequence of BDM, the fundamental equations of Planck, De Broglie, Bekenstein, and mass-energy equivalence are derived.

Keywords: Physical theory of information, binary data matrix model, Shannon information theory, bit information principle.

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319 Extending the Quantum Entropy to Multidimensional Signal Processing

Authors: Youssef Khmou, Said Safi, Miloud Frikel

Abstract:

This paper treats different aspects of entropy measure in classical information theory and statistical quantum mechanics, it presents the possibility of extending the definition of Von Neumann entropy to image and array processing. In the first part, we generalize the quantum entropy using singular values of arbitrary rectangular matrices to measure the randomness and the quality of denoising operation, this new definition of entropy can be implemented to compare the performance analysis of filtering methods. In the second part, we apply the concept of pure state in quantum formalism to generalize the maximum entropy method for narrowband and farfield source localization problem. Several computer simulation results are illustrated to demonstrate the effectiveness of the proposed techniques.

Keywords: Von Neumann entropy, Filtering, array, DoA, Maximum Entropy Method.

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318 A Quantum Algorithm of Constructing Image Histogram

Authors: Yi Zhang, Kai Lu, Ying-hui Gao, Mo Wang

Abstract:

Histogram plays an important statistical role in digital image processing. However, the existing quantum image models are deficient to do this kind of image statistical processing because different gray scales are not distinguishable. In this paper, a novel quantum image representation model is proposed firstly in which the pixels with different gray scales can be distinguished and operated simultaneously. Based on the new model, a fast quantum algorithm of constructing histogram for quantum image is designed. Performance comparison reveals that the new quantum algorithm could achieve an approximately quadratic speedup than the classical counterpart. The proposed quantum model and algorithm have significant meanings for the future researches of quantum image processing.

Keywords: Quantum Image Representation, Quantum Algorithm, Image Histogram.

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317 Quantum Statistical Mechanical Formulations of Three-Body Problems via Non-Local Potentials

Authors: A. Maghari, V. H. Maleki

Abstract:

In this paper, we present a quantum statistical mechanical formulation from our recently analytical expressions for partial-wave transition matrix of a three-particle system. We report the quantum reactive cross sections for three-body scattering processes 1+(2,3)→1+(2,3) as well as recombination 1+(2,3)→1+(3,1) between one atom and a weakly-bound dimer. The analytical expressions of three-particle transition matrices and their corresponding cross-sections were obtained from the threedimensional Faddeev equations subjected to the rank-two non-local separable potentials of the generalized Yamaguchi form. The equilibrium quantum statistical mechanical properties such partition function and equation of state as well as non-equilibrium quantum statistical properties such as transport cross-sections and their corresponding transport collision integrals were formulated analytically. This leads to obtain the transport properties, such as viscosity and diffusion coefficient of a moderate dense gas.

Keywords: Statistical mechanics, Nonlocal separable potential, three-body interaction, Faddeev equations.

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316 The Magnetized Quantum Breathing in Cylindrical Dusty Plasma

Authors: A. Abdikian

Abstract:

A quantum breathing mode has been theatrically studied in quantum dusty plasma. By using linear quantum hydrodynamic model, not only the quantum dispersion relation of rotation mode but also void structure has been derived in the presence of an external magnetic field. Although the phase velocity of the magnetized quantum breathing mode is greater than that of unmagnetized quantum breathing mode, attenuation of the magnetized quantum breathing mode along radial distance seems to be slower than that of unmagnetized quantum breathing mode. Clearly, drawing the quantum breathing mode in the presence and absence of a magnetic field, we found that the magnetic field alters the distribution of dust particles and changes the radial and azimuthal velocities around the axis. Because the magnetic field rotates the dust particles and collects them, it could compensate the void structure.

Keywords: The linear quantum hydrodynamic model, the magnetized quantum breathing mode, the quantum dispersion relation of rotation mode, void structure.

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315 Problems and Possible Solutions with the Development of a Computer Model of Quantum Theory

Authors: Hans H. Diel

Abstract:

A computer model of Quantum Theory (QT) has been developed by the author. Major goal of the computer model was support and demonstration of an as large as possible scope of QT. This includes simulations for the major QT (Gedanken-) experiments such as, for example, the famous double-slit experiment. Besides the anticipated difficulties with (1) transforming exacting mathematics into a computer program, two further types of problems showed up, namely (2) areas where QT provides a complete mathematical formalism, but when it comes to concrete applications the equations are not solvable at all, or only with extremely high effort; (3) QT rules which are formulated in natural language and which do not seem to be translatable to precise mathematical expressions, nor to a computer program. The paper lists problems in all three categories and describes also the possible solutions or circumventions developed for the computer model.

Keywords: Computability, Foundation of Quantum Mechanics, Measurement Process, Modeling.

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314 Ovshinsky Effect by Quantum Mechanics

Authors: Thomas V. Prevenslik

Abstract:

Ovshinsky initiated scientific research in the field of amorphous and disordered materials that continues to this day. The Ovshinsky Effect where the resistance of thin GST films is significantly reduced upon the application of low voltage is of fundamental importance in phase-change - random access memory (PC-RAM) devices.GST stands for GdSbTe chalcogenide type glasses.However, the Ovshinsky Effect is not without controversy. Ovshinsky thought the resistance of GST films is reduced by the redistribution of charge carriers; whereas, others at that time including many PC-RAM researchers today argue that the GST resistance changes because the GST amorphous state is transformed to the crystalline state by melting, the heat supplied by external heaters. In this controversy, quantum mechanics (QM) asserts the heat capacity of GST films vanishes, and therefore melting cannot occur as the heat supplied cannot be conserved by an increase in GST film temperature.By precluding melting, QM re-opens the controversy between the melting and charge carrier mechanisms. Supporting analysis is presented to show that instead of increasing GST film temperature, conservation proceeds by the QED induced creation of photons within the GST film, the QED photons confined by TIR. QED stands for quantum electrodynamics and TIR for total internal reflection. The TIR confinement of QED photons is enhanced by the fact the absorbedheat energy absorbed in the GST film is concentrated in the TIR mode because of their high surface to volume ratio. The QED photons having Planck energy beyond the ultraviolet produce excitons by the photoelectric effect, the electrons and holes of which reduce the GST film resistance.

Keywords: Ovshinsky, phase change memory, PC-RAM, chalcogenide, quantummechanics, quantum electrodynamics.

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313 Gravitational Frequency Shifts for Photons and Particles

Authors: Jing-Gang Xie

Abstract:

The research, in this case, considers the integration of the Quantum Field Theory and the General Relativity Theory. As two successful models in explaining behaviors of particles, they are incompatible since they work at different masses and scales of energy, with the evidence that regards the description of black holes and universe formation. It is so considering previous efforts in merging the two theories, including the likes of the String Theory, Quantum Gravity models, and others. In a bid to prove an actionable experiment, the paper’s approach starts with the derivations of the existing theories at present. It goes on to test the derivations by applying the same initial assumptions, coupled with several deviations. The resulting equations get similar results to those of classical Newton model, quantum mechanics, and general relativity as long as conditions are normal. However, outcomes are different when conditions are extreme, specifically with no breakdowns even for less than Schwarzschild radius, or at Planck length cases. Even so, it proves the possibilities of integrating the two theories.

Keywords: General relativity theory, particles, photons, quantum gravity model, gravitational frequency shift.

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312 Quantum Enhanced Correlation Matrix Memories via States Orthogonalisation

Authors: Mario Mastriani, Marcelo Naiouf

Abstract:

This paper introduces a Quantum Correlation Matrix Memory (QCMM) and Enhanced QCMM (EQCMM), which are useful to work with quantum memories. A version of classical Gram-Schmidt orthogonalisation process in Dirac notation (called Quantum Orthogonalisation Process: QOP) is presented to convert a non-orthonormal quantum basis, i.e., a set of non-orthonormal quantum vectors (called qudits) to an orthonormal quantum basis, i.e., a set of orthonormal quantum qudits. This work shows that it is possible to improve the performance of QCMM thanks QOP algorithm. Besides, the EQCMM algorithm has a lot of additional fields of applications, e.g.: Steganography, as a replacement Hopfield Networks, Bilevel image processing, etc. Finally, it is important to mention that the EQCMM is an extremely easy to implement in any firmware.

Keywords: Quantum Algebra, correlation matrix memory, Dirac notation, orthogonalisation.

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311 On Quantum BCH Codes and Its Duals

Authors: J. S. Bhullar, Manish Gupta

Abstract:

Classical Bose-Chaudhuri-Hocquenghem (BCH) codes C that contain their dual codes can be used to construct quantum stabilizer codes this chapter studies the properties of such codes. It had been shown that a BCH code of length n which contains its dual code satisfies the bound on weight of any non-zero codeword in C and converse is also true. One impressive difficulty in quantum communication and computation is to protect informationcarrying quantum states against undesired interactions with the environment. To address this difficulty, many good quantum errorcorrecting codes have been derived as binary stabilizer codes. We were able to shed more light on the structure of dual containing BCH codes. These results make it possible to determine the parameters of quantum BCH codes in terms of weight of non-zero dual codeword.

Keywords: Quantum Codes, BCH Codes, Dual BCH Codes, Designed Distance.

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310 Numerical Calculation of the Ionization Energy of Donors in a Cubic Quantum well and Wire

Authors: Sara Sedaghat, Mahmood Barati, Iraj Kazeminezhad

Abstract:

The ionization energy in semiconductor systems in nano scale was investigated by using effective mass approximation. By introducing the Hamiltonian of the system, the variational technique was employed to calculate the ground state and the ionization energy of a donor at the center and in the case that the impurities are randomly distributed inside a cubic quantum well. The numerical results for GaAs/GaAlAs show that the ionization energy strongly depends on the well width for both cases and it decreases as the well width increases. The ionization energy of a quantum wire was also calculated and compared with the results for the well.

Keywords: quantum well, quantum wire, quantum dot, impuritystate

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309 Algebraic Quantum Error Correction Codes

Authors: Ming-Chung Tsai, Kuan-Peng Chen, Zheng-Yao

Abstract:

A systematic and exhaustive method based on the group structure of a unitary Lie algebra is proposed to generate an enormous number of quantum codes. With respect to the algebraic structure, the orthogonality condition, which is the central rule of generating quantum codes, is proved to be fully equivalent to the distinguishability of the elements in this structure. In addition, four types of quantum codes are classified according to the relation of the codeword operators and some initial quantum state. By linking the unitary Lie algebra with the additive group, the classical correspondences of some of these quantum codes can be rendered.

Keywords: Quotient-Algebra Partition, Codeword Spinors, Basis Codewords, Syndrome Spinors

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308 An Authentication Protocol for Quantum Enabled Mobile Devices

Authors: Natarajan Venkatachalam, Subrahmanya V. R. K. Rao, Vijay Karthikeyan Dhandapani, Swaminathan Saravanavel

Abstract:

The quantum communication technology is an evolving design which connects multiple quantum enabled devices to internet for secret communication or sensitive information exchange. In future, the number of these compact quantum enabled devices will increase immensely making them an integral part of present communication systems. Therefore, safety and security of such devices is also a major concern for us. To ensure the customer sensitive information will not be eavesdropped or deciphered, we need a strong authentications and encryption mechanism. In this paper, we propose a mutual authentication scheme between these smart quantum devices and server based on the secure exchange of information through quantum channel which gives better solutions for symmetric key exchange issues. An important part of this work is to propose a secure mutual authentication protocol over the quantum channel. We show that our approach offers robust authentication protocol and further our solution is lightweight, scalable, cost-effective with optimized computational processing overheads.

Keywords: Quantum cryptography, quantum key distribution, wireless quantum communication, authentication protocol, quantum enabled device, trusted third party.

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307 Novel Design of Quantum Dot Arrays to Enhance Near-Fields Excitation Resonances

Authors: N. H. Ismail, A. A. A. Nassar, K. H. Baz

Abstract:

Semiconductor crystals smaller than about 10 nm, known as quantum dots, have properties that differ from large samples, including a band gap that becomes larger for smaller particles. These properties create several applications for quantum dots. In this paper new shapes of quantum dot arrays are used to enhance the photo physical properties of gold nano-particles. This paper presents a study of the effect of nano-particles shape, array, and size on their absorption characteristics.

Keywords: Quantum Dots, Nano-Particles, LSPR.

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306 Newtonian Mechanics Descriptions for General Relativity Experimental Tests, Dark Matter and Dark Energy

Authors: Jing-Gang Xie

Abstract:

As the continuation to the previous studies of gravitational frequency shift, gravitational time dilation, gravitational light bending, gravitational waves, dark matter, and dark energy are explained in the context of Newtonian mechanics. The photon is treated as the particle with mass of hν/C2 under the gravitational field of much larger mass of M. Hence the quantum mechanics theory could be applied to gravitational field on cosmology scale. The obtained results are the same as those obtained by general relativity considering weak gravitational field approximation; however, the results are different when the gravitational field is substantially strong.

Keywords: Gravitational time dilation, gravitational light bending, gravitational waves, dark matter, dark energy, General Relativity, gravitational frequency shift.

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305 Nonplanar Ion-acoustic Waves in a Relativistically Degenerate Quantum Plasma

Authors: Swarniv Chandra, Sibarjun Das, Agniv Chandra, Basudev Ghosh, Apratim Jash

Abstract:

Using the quantum hydrodynamic (QHD) model the nonlinear properties of ion-acoustic waves in are lativistically degenerate quantum plasma is investigated by deriving a nonlinear Spherical Kadomtsev–Petviashvili (SKP) equation using the standard reductive perturbation method equation. It was found that the electron degeneracy parameter significantly affects the linear and nonlinear properties of ion-acoustic waves in quantum plasma.

Keywords: Kadomtsev-Petviashvili equation, Ion-acoustic Waves, Relativistic Degeneracy, Quantum Plasma, Quantum Hydrodynamic Model.

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304 Propagation of Nonlinear Surface Waves in Relativistically Degenerate Quantum Plasma Half-Space

Authors: Swarniv Chandra, Parthasona Maji, Basudev Ghosh

Abstract:

The nonlinear self-interaction of an electrostatic surface wave on a semibounded quantum plasma with relativistic degeneracy is investigated by using quantum hydrodynamic (QHD) model and the Poisson’s equation with appropriate boundary conditions. It is shown that a part of the second harmonic generated through self-interaction does not have a true surface wave character but propagates obliquely away from the plasma-vacuum interface into the bulk of plasma.

Keywords: Harmonic Generation, Quantum Plasma, Quantum Hydrodynamic Model, Relativistic Degeneracy, Surface waves.

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303 CdS Quantum Dots as Fluorescent Probes for Detection of Naphthalene

Authors: Zhengyu Yan, Yan Yu, Jianqiu Chen

Abstract:

A novel sensing system has been designed for naphthalene detection based on the quenched fluorescence signal of CdS quantum dots. The fluorescence intensity of the system reduced significantly after adding CdS quantum dots to the water pollution model because of the fluorescent static quenching f mechanism. Herein, we have demonstrated the facile methodology can offer a convenient and low analysis cost with the recovery rate as 97.43%-103.2%, which has potential application prospect.

Keywords: CdS quantum dots, modification, detection, naphthalene.

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302 Behavior of Current in a Semiconductor Nanostructure under Influence of Embedded Quantum Dots

Authors: H. Paredes Gutiérrez, S. T. Pérez-Merchancano

Abstract:

Motivated by recent experimental and theoretical developments, we investigate the influence of embedded quantum dot (EQD) of different geometries (lens, ring and pyramidal) in a double barrier heterostructure (DBH). We work with a general theory of quantum transport that accounts the tight-binding model for the spin dependent resonant tunneling in a semiconductor nanostructure, and Rashba spin orbital to study the spin orbit coupling. In this context, we use the second quantization theory for Rashba effect and the standard Green functions method. We calculate the current density as a function of the voltage without and in the presence of quantum dots. In the second case, we considered the size and shape of the quantum dot, and in the two cases, we worked considering the spin polarization affected by external electric fields. We found that the EQD generates significant changes in current when we consider different morphologies of EQD, as those described above. The first thing shown is that the current decreases significantly, such as the geometry of EQD is changed, prevailing the geometrical confinement. Likewise, we see that the current density decreases when the voltage is increased, showing that the quantum system studied here is more efficient when the morphology of the quantum dot changes.

Keywords: Quantum semiconductors, nanostructures, quantum dots, spin polarization.

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301 Implementation of Quantum Rotation Gates Using Controlled Non-Adiabatic Evolutions

Authors: Abdelrahman A. H. Abdelrahim, Gharib Subhi Mahmoud, Sherzod Turaev, Azeddine Messikh

Abstract:

Quantum gates are the basic building blocks in the quantum circuits model. These gates can be implemented using adiabatic or non adiabatic processes. Adiabatic models can be controlled using auxiliary qubits, whereas non adiabatic models can be simplified by using one single-shot implementation. In this paper, the controlled adiabatic evolutions is combined with the single-shot implementation to obtain quantum gates with controlled non adiabatic evolutions. This is an important improvement which can speed the implementation of quantum gates and reduce the errors due to the long run in the adiabatic model. The robustness of our scheme to different types of errors is also investigated.

Keywords: Adiabatic evolutions, non adiabatic evolutions, controlled adiabatic evolutions, quantum rotation gates, dephasing rates, master equation.

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300 Isospectral Hulthén Potential

Authors: Anil Kumar

Abstract:

Supersymmetric Quantum Mechanics is an interesting framework to analyze nonrelativistic quantal problems. Using these techniques, we construct a family of strictly isospectral Hulth´en potentials. Isospectral wave functions are generated and plotted for different values of the deformation parameter.

Keywords: Hulth´en potential, Isospectral Hamiltonian.

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299 Modulational Instability of Electron Plasma Waves in Finite Temperature Quantum Plasma

Authors: Swarniv Chandra, Basudev Ghosh

Abstract:

Using the quantum hydrodynamic (QHD) model for quantum plasma at finite temperature the modulational instability of electron plasma waves is investigated by deriving a nonlinear Schrodinger equation. It was found that the electron degeneracy parameter significantly affects the linear and nonlinear properties of electron plasma waves in quantum plasma.

Keywords: Amplitude Modulation, Electron Plasma Waves, Finite Temperature Model, Modulational Instability, Quantum Plasma.

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298 Residual Dipolar Couplings in NMR Spectroscopy Using Lanthanide Tags

Authors: Elias Akoury

Abstract:

Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable technique used in structure determination of small and macromolecules to study their physical properties, elucidation of characteristic interactions, dynamics and thermodynamic processes. Quantum mechanics defines the theoretical description of NMR spectroscopy and treatment of the dynamics of nuclear spin systems. The phenomenon of residual dipolar coupling (RDCs) has become a routine tool for accurate structure determination by providing global orientation information of magnetic dipole-dipole interaction vectors within a common reference frame. This offers accessibility of distance-independent angular information and insights to local relaxation. The measurement of RDCs requires an anisotropic orientation medium for the molecules to partially align along the magnetic field. This can be achieved by introduction of liquid crystals or attaching a paramagnetic center. Although anisotropic paramagnetic tags continue to mark achievements in the biomolecular NMR of large proteins, its application in small organic molecules remains unspread. Here, we propose a strategy for the synthesis of a lanthanide tag and the measurement of RDCs in organic molecules using paramagnetic lanthanide complexes.

Keywords: Lanthanide Tags, NMR spectroscopy, residual dipolar coupling, quantum mechanics of spin dynamics.

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