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Calculation of photoionization cross sections of nitrogen and oxygen atoms and ions in excited states using quantum defect method
Radiative transfer of partially polarized radiation in an anisotropically scattering, inhomogeneous atmosphere containing an arbitrary polydispersion of particles is described using Jones's (1941) amplitude vectors and matrices. This approach exploits the close analogy between the quantum-mechanical states of spin 1/2 systems and the polarization states of electromagnetic radiation described by Jones's vector. The complete equivalence between the transport equation for Jones's vectors and the classical radiative-transfer equation for Stokes's intensity vectors is demonstrated in two independent ways after deriving the transport equations for the polarization coherency matrices and for the quaternions corresponding to the Jones's vectors. A compact-operator formulation of the theory is provided and used to derive the necessary equations for both a local and a global description of the transport of Jones's vectors. The integro-differential equations for the amplitude reflection and transmission matrices are derived and related to the usual corresponding equations.
After brief surveys of the significance of n(+) and p(+) silicon for the conversion efficiency of solar cells, the work in this paper is concentrated on uncertainties in the characterization of n(+) and p(+) regions. The topics treated include the quantum density states of the majority carrier band and the position of the Fermi level relative to the edge of this band, the resulting force field on the minority carriers accompanying a space dependence of the energy gap narrowing, and the interpretation of measurements of the energy gap narrowing and the minority carrier diffusivity and mobility. The treatment seeks to show how these uncertainties relate to solar cell design and to estimates of attainable conversion efficiency.
Calculations of the pressure-broadening cross sections of CO in Ar have been made within the infinite-order sudden (IOS) and coupled states (CS) quantum scattering approximations. Two intermolecular potentials were used, a pairwise additive atom-atom potential which has been employed previously in semiclassical (modified Anderson theory) studies of this system and one calculated ab initio within an electron gas formalism. Predictions from the two potentials generally agree within about 25 percent and bracket experimental values (except for some recent high temperature data obtained in shock tube experiments). The CS approximation appears to be quite accurate although computationally expensive. The much cheaper IOS approximation is accurate for the J = 0-1 line but does not properly predict the dependence on line number. The quantum results are also compared with earlier semiclassical values.
The screened hydrogenic radial integral for discrete-discrete and discrete-continuum transitions is expressed in forms suitable for obtaining closed-form expressions for specific transitions. Two effective-charge parameters, for the initial state and for the final state, are retained in these formulas. As examples, explicit expressions for a few transitions are derived, and a method for obtaining a series for a discrete-discrete radial integral, suitable for large final-state principal quantum numbers, is indicated.
Improved strategy for exploiting unusual optical properties to enhance molecular hyperpolarizabilities by introducing "defect" quantum-mechanical states and produce molecules switched photochemically or electrochemically between states characterized by different second molecular hyperpolarizabilities. Strategy, conjugation and/or substitution defects, electrically neutral or charged dopant orimpurity atoms or groups thereof, incorporated into finite polyene. Defects in finite polyenes alter second molecular hyperpolarizabilities. Transient large second hyperpolarizabilities attainable in molecules of structure II.
This conference publication contains the proceedings of the Second International Workshop on Squeezed States and Uncertainty Relations held in Moscow, Russia, on 25-29 May 1992. The purpose of this workshop was to study possible applications of squeezed states of light. The Workshop brought together many active researchers in squeezed states of light and those who may find the concept of squeezed states useful in their research, particularly in understanding the uncertainty relations. It was found at this workshop that the squeezed state has a much broader implication than the two-photon coherent states in quantum optics, since the squeeze transformation is one of the most fundamental transformations in physics.
We present a convenient way to evaluate the information entropy of a quantum mechanical state via the Glauber Q-representation. As an example we discuss the information entropy of a thermally relaxing squeezed state in terms of its Q-representation and show the validity of the corresponding entropic uncertainty- and Araki-Lieb inequalities.
As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and materials and surface science, the first version of a software package dedicated to the atomistic analysis of multicomponent systems was recently completed. Based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of alloy and surface energetics, this package includes modules devoted to the analysis of many essential features that characterize any given alloy or surface system, including (1) surface structure analysis, (2) surface segregation, (3) surface alloying, (4) bulk crystalline material properties and atomic defect structures, and (5) thermal processes that allow us to perform phase diagram calculations. All the modules of this Alloy Design Workbench 1.0 (ADW 1.0) are designed to run in PC and workstation environments, and their operation and performance are substantially linked to the needs of the user and the specific application.
Quantum mechanical potential energy curve of lowest normal state of diatomic helium computed in valence bond scheme, using 17-term wave function of Slater orbitals
The development of radically new technological and economically efficient methods for obtaining chemical products and for producing new materials with specific properties requires the study of physical and chemical processes proceeding at temperature of 10(exp 3) to 10(exp 4) K, temperature range of low temperature plasma. In our paper, by means of Wigner matrix of quantum statistical theory, a formula is derived for the energy of quantum coherent oscillation of electron ground state in laser plasma at low temperature. The collective behavior would be important in ion and ion-molecule reactions.
The cryptographic communication has a lot of important applications, particularly in the magnificent prospects of private communication. As one knows, the security of cryptographic channel depends crucially on the secrecy of the key. The Vernam cipher is the only cipher system which has guaranteed security. In that system the key must be as long as the message and most be used only once. Quantum cryptography is a method whereby key secrecy can be guaranteed by a physical law. So it is impossible, even in principle, to eavesdrop on such channels. Quantum cryptography has been developed in recent years. Up to now, many schemes of quantum cryptography have been proposed. Now one of the main problems in this field is how to increase transmission distance. In order to use quantum nature of light, up to now proposed schemes all use very dim light pulses. The average photon number is about 0.1. Because of the loss of the optical fiber, it is difficult for the quantum cryptography based on one photon level or on dim light to realize quantum key-distribution over long distance. A quantum key distribution based on coherent state is introduced in this paper. Here we discuss the feasibility and security of this scheme.
Under a radiation power constraint, the maximum signal-to-quantum noise ratio obtainable for any state of a radiation field is found. This maximum value is achieved by the two-photon coherent states introduced previously to describe two-photon lasers.
Quantum mechanical study of molecules - prediction of ground, ionized, and excited states of unknown nitrogen fluoride molecule
Quantum mechanical potential energy curves for lower excited states of helium 2 and hydrogen 2
The electron-hole states of semiconductor quantum dots are investigated within the framework of empirical tight-binding descriptions for Si, as an example of an indirect-gap material, and InAs and CdSe as examples of typical III-V and II-VI direct-gap materials.
The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.
In near-term quantum applications, reducing errors and improving device reliability is an essential task. Towards these ends, various techniques have been introduced in recent literature, collectively referred to as quantum error mitigation techniques, for reducing errors in pre-fault-tolerant devices. Here, we introduce logical shadow tomography as a versatile error mitigation method. Our technique uses a stabilizer code to encode information in a logical state. Instead of doing active error correction, quantum states will be measured at the end of computation via shadow tomography and non-logical errors are projected out in the classical post-processing. Relative to quantum subspace expansion which requires O(2(M-1)L) experiments to estimate an logical Pauli observable encoded by an [[M, L, d]] code, our technique only requires 2L experiments, an important practical reduction in resources.