Entanglement dynamics in Coriolis coupled rovibrational states of formaldehyde

The entanglement dynamics of two vibrational modes of a polyatomic molecule coupled by Coriolis interaction to overall molecular rotation is studied in terms of two negativities, N(t) and N_s(t), respectively, defined by the minimum of the eigenvalues and by the sum of the negative eigenvalues of the partial transpose of a density matrix. Various initial states are the products of Dicke states and the products of coherent states of vibrations and rotations. Formaldehyde is taken as an example, and the von Neumann entropy s(t) is simulated for the comparison with both negativities. It is shown that negativity N_s(t) is positively correlated with entropy s(t), and the correlated behavior between negativity N(t) and entropy s(t) strongly depends on initial states. However, these three indicators of entanglement display a dominantly positive correlation for the coherent states with small or large parameters. In addition, for the latter state two quantities N(t) and s(t) are nearly unchanged for a long time. This time can be further increased by the increasing of vibrational quantum number so that molecular information processing and quantum computing is allowed. These results are useful in quantum information theory.     

Photoionization cross sections of Fe XXI

Total and partial photoionization cross sections for (Fe XXI+hν→Fe XXII+e) are presented for the ground and excited bound states with n?10 and l?9. Fe XXI is prevalent in high-temperature astrophysical plasmas as well as in photoionized plasmas excited by hard X-rays. Results are reported for the first time for the high-energy photoionization with core excitations to n=2,3 states. Details of photoionization, especially the high-energy features that often dominate considerably over the low energy ones, are illustrated. These prominent features will affect the photoionization and the recombination rates in high-temperature plasmas. Calculations are carried out in the close coupling (CC) approximation using the R-matrix method. A large CC wavefunction expansion for Fe XXII which includes the ground and 28 excited core states from n=2 and 3 complexes and spans over a wide energy range is used. A total of 835 discrete bound states of Fe XXI in the singlet, triplet, and quintet symmetries are obtained. Total photoionization cross sections, σ_PI(nLS), for ionization into all 29 states are presented for all 835 final bound states and partial photoionization cross sections, σ_PI(g,nLS), for ionization into the ground ²P⁰ state of the core are presented for 685 states. While the n=2 core excitations are at relatively lower energy range (within 15 Ry from the ionization threshold), the n=3 excitations lie at considerably higher energy, 73 Ry and above, yet introduce resonant features and enhancements more prominent than those of n=2 states. Larger numbers of resonances are formed due to Rydberg series of autoionizing states converging on to the 29 core states. However, most noticeable structures are formed in the excited state cross sections by the photoexcitation-of-core (PEC) resonances in the photon energy range of 73-82 Ry. All these high-energy features are absent in the currently available results. The present results should enable more accurate modeling of the emission spectrum of highly excited plasma from the optical to far-ultraviolet region.     

Sequential double Auger decay in atoms: A quantum informatic analysis

We theoretically show that the process of inner-shell photoionization in an atom A, followed by the spontaneous sequential emission of two Auger electrons, produces various kinds of spin-entangled states of three flying electronic qubits. All properties of these states are completely pre-determined by the total spin quantum numbers of the electronic states of four atomic species (i.e., A, A^+∗, A2^+∗, A3+) participating in this process in the Russell-Saunders coupling. These tripartite states are readily characterized experimentally by measuring only energies of the three emitted electrons, without requiring any entanglement witness or other such protocols.     

Superpositions of excited–deexcited coherent states and some of their non-classical properties

Applying the operator a + a⁺ to the superposed coherent states several times, superpositions of the excited–deexcited coherent states are obtained. Compared with the original superposed coherent states, these new states can have stronger squeezing and anti-bunching effects. The operation a + a⁺ can also induce squeezing or antibunching effect if the original states do not possess these properties. Calculations about the phase properties, the Q function and the Wigner function reflect the non-classical character of the excited–deexcited states from different aspects.     

Quantum state transfer via a two-qubit Heisenberg XXZ spin model

Transfer of quantum states through a two-qubit Heisenberg XXZ spin model with a nonuniform magnetic field b is investigated by means of quantum theory. The influences of b, the spin exchange coupling J and the effective transfer time T=Jt on the fidelity have been studied for some different initial states. Results show that fidelity of the transferred state is determined not only by J, T and b but also by the initial state of this quantum system. Ideal information transfer can be realized for some kinds of initial states. We also found that the interactions of the z-component Jz and uniform magnetic field B do not have any contribution to the fidelity. These results may be useful for quantum information processing.     

First-principles study on the structural and electronic properties of AlNCx nanosheet

The structural and electronic properties of a hydrogen terminated hexagonally AlN nanoribbon with 6 zigzag Al-N chains across the ribbon width (6-ZAlNNR) and the hexagonally bonded hetero-sheets AlNC_x (x=2,4,6) consisting of AlN and graphite strips with zigzag shaped borders have been investigated systemically by using the first-principles. The results show that in 6-ZAlNNR, the states of the lowest unoccupied conduction band (LUCB) and the highest occupied valence band (HOVB) at zone boundary Z are edge states whose charges are localized at edge Al and N atoms, respectively. Introducing the graphite strip C_x and increasing its width lead to the LUCB and HOVB getting closer with each other especially in flat dispersion region around the zone boundary J_y, thus decreasing in the energy gap of the hetero-sheets AlNC₂, AlNC₄ and AlNC₆ successively. Similar to the edge states existing in zigzag edged AlNNR, the flat dispersion border states also exist in the zigzag borders of hexagonally networked hetero-sheets AlNC_x. Unlike the edge states whose charges are localized at one of the edge atoms, the border states are localized at two atoms of the borders with either bonding or antibonding character.     

Reduction of quantum phase fluctuations in intermediate states

Recently we have shown that the reduction of the Carruthers-Nieto symmetric quantum phase fluctuation parameter (U) with respect to its coherent state value corresponds to an antibunched state, but the converse is not true. Consequently reduction of U is a stronger criterion of nonclassicality than the lowest order antibunching. Here we have studied the possibilities of reduction of U in intermediate states by using the Barnett-Pegg formalism. We have shown that the reduction of phase fluctuation parameter U can be seen in different intermediate states, such as binomial state, generalized binomial state, hypergeometric state, negative binomial state, and photon added coherent state. It is also shown that the depth of nonclassicality can be controlled by various parameters related to intermediate states. Further, we have provided specific examples of antibunched states, for which U is greater than its Poissonian state value.     

Tensor representation in teleportation and controlled teleportation

We propose the tensor representation of teleportation and controlled teleportation. By using this representation, it is easy to describe the process of teleporting an unknown N-qubit state via a genuine 2N-qubit channel, and to find the necessary and sufficient condition of realizing a successful teleportation (which is determined by the measurement matrix T^α and the quantum channel parameter matrix X). For controlled teleportation, if composing tensor representation with graph, one can easily design any kind of controlled teleportation. As examples, we give a scheme of symmetrically controlled teleportation of two-qubit states and a scheme of representative network controlled of three-qubit states. This method can also be generalized to the controlled teleportation of N-qubit states.     

Thermal and phase decoherence effects on entanglement dynamics of the quantum spin systems

Entanglement dynamics of the N-qubit XY model in thermal and dephasing environments are investigated by solving the Lindblad form of the master equation. Analytical solutions for the two-qubit case and numerical solutions for the multi-qubit case are obtained. For the two-qubit case, our results revealed two main features for entanglement evolution from different initial states. First, the thermal reservoir always induces degradation of the entanglement, and the entanglement may undergo sudden death during certain intervals of the evolution time. Second, the dephasing environment induces damped oscillation of the entanglement for initially separable states and mixed states with relative large values of Δ or J; however, it always induces exponentially decay of the entanglement for the initial Bell states. For the multi-qubit case, our results show that the entanglement decreases monotonically as the time evolves for the initial W state, and behaves as damped oscillation for the initial “one-particle” state. Particularly, for system with large number of qubits, the curves of the concurrence C₁₂ with different N are almost overlapped in dephasing environment.     

Semigroup of positive maps for qudit states and entanglement in tomographic probability representation

Stochastic and bistochastic matrices providing positive maps for spin states (for qudits) are shown to form semigroups with dense intersection with the Lie groups IGL(n,R) and GL(n,R) respectively. The density matrix of a qudit state is shown to be described by a spin tomogram determined by an orbit of the bistochastic semigroup acting on a simplex. A class of positive maps acting transitively on quantum states is introduced by relating stochastic and quantum stochastic maps in the tomographic setting. Finally, the entangled states of two qubits and Bell inequalities are given in the framework of the tomographic probability representation using the stochastic semigroup properties.     

The spin symmetry for deformed generalized Pöschl-Teller potential

In the case of spin symmetry we solve the Dirac equation with scalar and vector deformed generalized Pöschl-Teller (DGPT) potential and obtain exact energy equation and spinor wave functions for s-wave bound states. We find that there are only positive energy states for bound states in the case of spin symmetry based on the strong regularity restriction condition λ<−η for the wave functions. The energy eigenvalue approaches a constant when the potential parameter α goes to zero. Two special cases such as generalized PT potential and standard PT potential are also briefly discussed.     

Population relaxation effects on entanglement dynamics of the two-qubit spin chains

By analytically solving the master equation, we examine entanglement dynamics of the two-qubit spin system coupled via the XY interaction and in the presence of population relaxation. We found that the entanglement dynamical behaviors are very sensitive to different initialized states. Particularly, for initial states ?=(|01〉〈01|+|10〉〈10|)/2 and ?=(|00〉〈00|+|11〉〈11|)/2, a combination of the XY coupling with the population relaxation can even be used to enhance the entanglement. Moreover, we show that among different initially separable states, ?=|01〉〈01| and ?=|10〉〈10| are more robust in generating pairwise entanglement.     

Field-theoretical three-body relativistic equations for the multichannel πN↔γN↔ππN↔γπN reactions

A new kind of the relativistic three-body equations for the coupled πN and γN scattering reactions with the ππN and γπN three particle final states are suggested. These equations are derived in the framework of the standard field-theoretical S-matrix approach in the time-ordered three-dimensional form. Therefore, corresponding relativistic covariant equations are three-dimensional from the beginning and the considered formulation is free of the ambiguities which appear due to a three dimensional reduction of the four dimensional Bethe-Salpeter equations. The solutions of the considered equations satisfy the unitarity condition and they are exactly gauge invariant even after the truncation of the multiparticle (n>3) intermediate states. Moreover, the form of these three-body equations does not depend on the choice of the model Lagrangian and it is the same for the formulations with and without quark degrees of freedom. The effective potential of the suggested equations is defined by the vertex functions with two on-mass shell particles. It is emphasized that these INPUT vertex functions can be constructed from experimental data. Special attention is given to the construction of the intermediate on shell and off shell Δ resonance states. These intermediate Δ states are obtained after separation of the Δ resonance pole contributions in the intermediate πN Green function. The resulting amplitudes for the Δ⇔Nπ; Δ⇔Nγ; Δ^′⇔Δγ transition have the same structure as the vertex functions for transitions between the on-mass shell particle states with spin 1/2 and 3/2. Therefore it is possible to introduce the real value for the magnetic momenta for the Δ^′⇔Δγ transition amplitudes in the same way as it is done for the N^′⇔Nγ vertex function.     

Joint density of states and charge density wave in 2H-structured transition metal dichalcogenides

The joint density of states of two different 2H-structured transition metal dichalcogenides (TMDs) with and without charge density wave (CDW), Na_0.05TaS₂ and Cu_0.09NbS₂, respectively, are compared. While there is a clear maximum at the 3×3 charge density wavevector for Na_0.05TaS₂, the joint density of states for Cu_0.09NbS₂ does not show such behavior, consistent with the absence of CDW in the system. Our results illustrate that the joint density of states well represents the charge instability in 2D systems.     

Metastable superpositions of ortho- and para-Helium states

We analyze superpositions of ortho- and para-Helium states, considering the possible existence of stationary and metastable states in the system. In particular, the metastable superposition of 1s2s ortho- and para-states seems to be accessible to experimental scrutiny.     

The scattering of the Manning-Rosen potential with centrifugal term

In this Letter the approximately analytical scattering state solutions of the l-wave Schrödinger equation for the Manning-Rosen potential are carried out by a proper approximation to the centrifugal term. The normalized radial wave functions of l-wave scattering states are presented and the calculation formula of phase shifts is derived. It is well shown that the poles of the S-matrix in the complex energy plane correspond to bound states for real poles and scattering states for complex poles in the lower half of the energy plane. We consider and verify two special cases: the l=0 and the s-wave Hulthén potential.     

Schrödinger-Newton equation with a complex Newton constant and induced gravity

In the reversible Schrödinger-Newton equation a complex Newton coupling Gexp(−iα) is proposed in place of G. The equation becomes irreversible and all initial one-body states are expected to converge to solitonic stationary states. This feature is verified numerically. For two-body solutions we point out that an effective Newtonian interaction is induced by the imaginary mean-fields as if they were real. The effective strength of such induced gravity depends on the local wave functions of the participating distant bodies.     

First principles study of structural, elastic, electronic and optical properties of the cubic perovskite BaHfO3

First principles study of structural, elastic, electronic and optical properties of the cubic perovskite-type BaHfO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated equilibrium lattice is in a reasonable agreement with the available experimental data. The elastic constants and their pressure dependence are calculated using the static finite strain technique. A linear pressure dependence of the elastic stiffnesses is found. Band structures show that BaHfO₃ is a direct band gap between the occupied O 2p and unoccupied Hf d states. The variation of the gap versus pressure is well fitted to a quadratic function. Furthermore, in order to understand the optical properties of BaHfO₃, the dielectric function, absorption coefficient, optical reflectivity, refractive index, extinction coefficient, and electron energy loss are calculated for radiation up to 30 eV. We have found that O 2p states and Hf 5d states play a major role in the optical transitions as initial and final states, respectively. This is the first quantitative theoretical prediction of the elastic, electronic and optical properties of BaHfO₃ compound, and it still awaits experimental confirmation.     

Optical investigation of charge-transfer transitions in spinel Co3O4

Optical transitions in normal-spinel Co₃O₄ have been identified by investigating the variation of its optical absorption spectrum with the replacement of Co by Zn. Three optical-transition structures were located at about 1.65, 2.4, and 2.8 eV from the measured dielectric function of Co₃O₄ by spectroscopic ellipsometry. The variation of the absorption structures with the Zn substitution (Zn_xCo_3−xO₄) can be explained in terms of charge-transfer transitions involving d states of Co ions. The 1.65 eV structure is assigned to a d-d charge-transfer transition between the t_2g states of octahedral Co³⁺ ion and t₂ states of tetrahedral Co²⁺ ion, t_2g(Co³⁺)→t₂(Co²⁺). The 2.4 and 2.8 eV structures are interpreted as due to charge-transfer transitions involving the p states of O²⁻ ion: p(O²⁻)→t₂(Co²⁺) for the 2.4 eV absorption and p(O²⁻)→e_g(Co³⁺) for the 2.8 eV absorption. The observed gradual reduction of the 1.65 and 2.4 eV absorption strength with the increase of the Zn composition for Zn_xCo_3−xO₄ can be explained in terms of the substitution of the tetrahedral Co²⁺ sites by Zn²⁺ ions. The crystal-field splitting Δ_Oh between the e_g and the t_2g states of the octahedral Co³⁺ ion is estimated to be 2 eV.     

Local transformations of superpositions of entangled states

Suppose that we have two entangled states |?₁〉, |ψ₁〉 that cannot be converted to any of other two states |?₂〉, |ψ₂〉 by local operations and classical communication. We analyze the possibility of locally transforming a superposition of |?₁〉 and |ψ₁〉 into a superposition of |?₂〉 and |ψ₂〉. By using the Nielsen's theorem we find the necessary and sufficient conditions for this conversion to be performed.