Search results for: quantum chemical methods

Authors: Mohamad Saab, Sidi Souvi

Abstract:

In a major nuclear accident, the released fission products (FPs) and the structural materials are likely to influence the transport of iodine in the reactor coolant system (RCS) of a pressurized water reactor (PWR). So far, the thermodynamic data on cesium and silver species used to estimate the magnitude of FP release show some discrepancies, data are scarce and not reliable. For this reason, it is crucial to review the thermodynamic values related to cesium and silver materials. To this end, we have used state-of-the-art quantum chemical methods to compute the formation enthalpies and entropies of AgHMoO₄, CsHMoO₄, and AgCsMoO₄ in the gas phase. Different quantum chemical methods have been investigated (DFT and CCSD(T)) in order to predict the geometrical parameters and the energetics including the correlation energy. The geometries were optimized with TPSSh-5%HF method, followed by a single point calculation of the total electronic energies using the CCSD(T) wave function method. We thus propose with a final uncertainty of about 2 kJmol⁻¹ standard enthalpies of formation of AgHMoO₄, CsHMoO₄, and AgCsMoO₄.

Keywords: ASTEC, Accident Source Term Evaluation Code, quantum chemical methods, severe nuclear accident, thermochemical database.

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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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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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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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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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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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Authors: Vladimir Rastunkov, Jae-Eun Park, Abhijit Mitra, Brian Quanz, Steve Wood, Christopher Codella, Heather Higgins, Joseph Broz

Abstract:

Quantum Support Vector Machines (QSVM) have become an important tool in research and applications of quantum kernel methods. In this work we propose a boosting approach for building ensembles of QSVM models and assess performance improvement across multiple datasets. This approach is derived from the best ensemble building practices that worked well in traditional machine learning and thus should push the limits of quantum model performance even further. We find that in some cases, a single QSVM model with tuned hyperparameters is sufficient to simulate the data, while in others - an ensemble of QSVMs that are forced to do exploration of the feature space via proposed method is beneficial.

Keywords: QSVM, Quantum Support Vector Machines, quantum kernel, boosting, ensemble.

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

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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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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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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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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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Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

Abstract:

A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

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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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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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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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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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Authors: Azza A. Abou-Arab, Marwa H. Mahmoud, Ferial M. Abu-Salem

Abstract:

This study aimed to determine the influence of some different juice extraction methods (screw type hand operated juice extractor and pressed squeeze juice extractor) as well as drying methods (microwave, solar and oven drying) on the chemical properties of lemon peels. It could be concluded that extraction of juice by screw type and drying of peel using the microwave drying method were the best preparative processing steps methods for lemon peel utilization as food additives.

Keywords: Lemon peel, extraction of juice methods, chemical analysis.

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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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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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Authors: Hans H. Diel

Abstract:

This paper describes a computer model of Quantum Field Theory (QFT), referred to in this paper as QTModel. After specifying the initial configuration for a QFT process (e.g. scattering) the model generates the possible applicable processes in terms of Feynman diagrams, the equations for the scattering matrix, and evaluates probability amplitudes for the scattering matrix and cross sections. The computations of probability amplitudes are performed numerically. The equations generated by QTModel are provided for demonstration purposes only. They are not directly used as the base for the computations of probability amplitudes. The computer model supports two modes for the computation of the probability amplitudes: (1) computation according to standard QFT, and (2) computation according to a proposed functional interpretation of quantum theory.

Keywords: Computational Modeling, Simulation of Quantum Theory, Quantum Field Theory, Quantum Electrodynamics

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Authors: Stefan Rass

Abstract:

Quantum cryptography offers a way of key agreement, which is unbreakable by any external adversary. Authentication is of crucial importance, as perfect secrecy is worthless if the identity of the addressee cannot be ensured before sending important information. Message authentication has been studied thoroughly, but no approach seems to be able to explicitly counter meet-in-the-middle impersonation attacks. The goal of this paper is the development of an authentication scheme being resistant against active adversaries controlling the communication channel. The scheme is built on top of a key-establishment protocol and is unconditionally secure if built upon quantum cryptographic key exchange. In general, the security is the same as for the key-agreement protocol lying underneath.

Keywords: Meet-in-the-middle attack, quantum key distribution, quantum networks, unconditionally secure authentication.

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Authors: K. Orozović, B. Balon

Abstract:

In this paper, we take a different approach to de Broglie wavelength, as we relate it to relativistic physics. The quantum energy of the photon radiated by a body with de Broglie wavelength, as it moves with velocity v, can be defined within relativistic physics by rest energy E₀. In this way, we can show the connection between the quantum of radiation energy of the body and the rest of energy E₀ and thus combine what has been incompatible so far, namely relativistic and quantum physics. So, here we discuss the unification of relativistic and quantum physics by introducing the factor k that is analog to the Lorentz factor in Einstein's theory of relativity.

Keywords: de Brogli wavelength, relativistic physics, rest energy, quantum physics.

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Authors: Liliana Zisu

Abstract:

The first and best known quantum protocol BB84, whose security is unconditional allows the transmission of a key with a length equal to that of the message. This key used with an encryption algorithm leads to an unbreakable cryptographic scheme. Despite advantages the protocol still can be improved in at least two aspects: its efficiency which is of about 50%, only half of the photons transmitted are used to create the encryption key and the second aspect refers to the communication that takes place on the classic channel, as it must be reduced or even eliminated. The paper presents a method that improves the two aspects of the BB84 protocol by using quantum memory and eight states of polarization. The implementation of both the proposed method and the BB84 protocol was done through a C# application.

Keywords: BB84, protocol, quantum cryptography, quantum key distribution.

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Authors: Georgi Bebrov, Rozalina Dimova

Abstract:

In the field of quantum secure communication, there is no evaluation that characterizes quantum secure communication (QSC) protocols in a complete, general manner. The current paper addresses the problem concerning the lack of such an evaluation for QSC protocols by introducing an optimality evaluation, which is expressed as the average over the three main parameters of QSC protocols: efficiency, security, and practicality. For the efficiency evaluation, the common expression of this parameter is used, which incorporates all the classical and quantum resources (bits and qubits) utilized for transferring a certain amount of information (bits) in a secure manner. By using criteria approach whether or not certain criteria are met, an expression for the practicality evaluation is presented, which accounts for the complexity of the QSC practical realization. Based on the error rates that the common quantum attacks (Measurement and resend, Intercept and resend, probe attack, and entanglement swapping attack) induce, the security evaluation for a QSC protocol is proposed as the minimum function taken over the error rates of the mentioned quantum attacks. For the sake of clarity, an example is presented in order to show how the optimality is calculated.

Keywords: Quantum cryptography, quantum secure communcation, quantum secure direct communcation security, quantum secure direct communcation efficiency, quantum secure direct communcation practicality.

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Authors: Alexey V. Klyuev, Arkady. V. Yakimov

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The 1/f noise investigation in nanoscale light-emitting diodes and lasers, based on GaAs and alloys, is presented here. Leakage and additional (to recombination through quantum wells and/or dots) nonlinear currents were detected and it was shown that these currents are the main source of the 1/f noise in devices studied.

Keywords: Lasers, light-emitting diodes, quantum dots, quantum wells, 1/f noise.

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Authors: Mir Shahriar Emami, Mohammad Reza Meybodi

Abstract:

Prime Factorization based on Quantum approach in two phases has been performed. The first phase has been achieved at Quantum computer and the second phase has been achieved at the classic computer (Post Processing). At the second phase the goal is to estimate the period r of equation xrN ≡ 1 and to find the prime factors of the composite integer N in classic computer. In this paper we present a method based on Randomized Approach for estimation the period r with a satisfactory probability and the composite integer N will be factorized therefore with the Randomized Approach even the gesture of the period is not exactly the real period at least we can find one of the prime factors of composite N. Finally we present some important points for designing an Emulator for Quantum Computer Simulation.

Keywords: Quantum Prime Factorization, RandomizedAlgorithms, Quantum Computer Simulation, Quantum Computation.

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Authors: Hoang Van Ngoc, Nguyen Thu Huong, Nguyen Quang Bau

Abstract:

Using the quantum kinetic equation for electrons interacting with acoustic phonon, the density of the constant current associated with the drag of charge carriers in cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field and a laser radiation field is calculated. The density of the constant current is studied as a function of the frequency of electromagnetic wave, as well as the frequency of laser field and the basic elements of quantum wire with a parabolic potential. The analytic expression of the constant current density is numerically evaluated and plotted for a specific quantum wires GaAs/AlGaAs to show the dependence of the constant current density on above parameters. All these results of quantum wire compared with bulk semiconductors and superlattices to show the difference.

Keywords: Photon-drag effect, constant current density, quantum wire, parabolic potential.

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