One-electron reduced density matrices of strongly correlated harmonium atoms.

PubMed

Cioslowski, Jerzy

2015-03-21

Explicit asymptotic expressions are derived for the reduced one-electron density matrices (the 1-matrices) of strongly correlated two- and three-electron harmonium atoms in the ground and first excited states. These expressions, which are valid at the limit of small confinement strength ω, yield electron densities and kinetic energies in agreement with the published values. In addition, they reveal the ω(5/6) asymptotic scaling of the exchange components of the electron-electron repulsion energies that differs from the ω(2/3) scaling of their Coulomb and correlation counterparts. The natural orbitals of the totally symmetric ground state of the two-electron harmonium atom are found to possess collective occupancies that follow a mixed power/Gaussian dependence on the angular momentum in variance with the simple power-law prediction of Hill's asymptotics. Providing rigorous constraints on energies as functionals of 1-matrices, these results are expected to facilitate development of approximate implementations of the density matrix functional theory and ensure their proper description of strongly correlated systems.

Two-photon excitation cross-section in light and intermediate atoms

NASA Technical Reports Server (NTRS)

Omidvar, K.

1980-01-01

The method of explicit summation over the intermediate states is used along with LS coupling to derive an expression for two-photon absorption cross section in light and intermediate atoms in terms of integrals over radial wave functions. Two selection rules, one exact and one approximate, are also derived. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum defect method are used. A relationship between the cross section and the oscillator strengths is derived. Cross sections due to selected transitions in nitrogen, oxygen, and chlorine are given. The expression for the cross section is useful in calculating the two-photon absorption in light and intermediate atoms.

Theory of rotational transition in atom-diatom chemical reaction

NASA Astrophysics Data System (ADS)

Nakamura, Masato; Nakamura, Hiroki

1989-05-01

Rotational transition in atom-diatom chemical reaction is theoretically studied. A new approximate theory (which we call IOS-DW approximation) is proposed on the basis of the physical idea that rotational transition in reaction is induced by the following two different mechanisms: rotationally inelastic half collision in both initial and final arrangement channels, and coordinate transformation in the reaction zone. This theory gives a fairy compact expression for the state-to-state transition probability. Introducing the additional physically reasonable assumption that reaction (particle rearrangement) takes place in a spatially localized region, we have reduced this expression into a simpler analytical form which can explicitly give overall rotational state distribution in reaction. Numerical application was made to the H+H2 reaction and demonstrated its effectiveness for the simplicity. A further simplified most naive approximation, i.e., independent events approximation was also proposed and demonstrated to work well in the test calculation of H+H2. The overall rotational state distribution is expressed simply by a product sum of the transition probabilities for the three consecutive processes in reaction: inelastic transition in the initial half collision, transition due to particle rearrangement, and inelastic transition in the final half collision.

A Computational Study of Rare Gas Clusters: Stepping Stones to the Solid State

ERIC Educational Resources Information Center

Glendening, Eric D.; Halpern, Arthur M.

2012-01-01

An upper-level undergraduate or beginning graduate project is described in which students obtain the Lennard-Jones 6-12 potential parameters for Ne[subscript 2] and Ar[subscript 2] from ab initio calculations and use the results to express pairwise interactions between the atoms in clusters containing up to N = 60 atoms. The students use simulated…

Electron Stark Broadening Database for Atomic N, O, and C Lines

NASA Technical Reports Server (NTRS)

Liu, Yen; Yao, Winifred M.; Wray, Alan A.; Carbon, Duane F.

2012-01-01

A database for efficiently computing the electron Stark broadening line widths for atomic N, O, and C lines is constructed. The line width is expressed in terms of the electron number density and electronatom scattering cross sections based on the Baranger impact theory. The state-to-state cross sections are computed using the semiclassical approximation, in which the atom is treated quantum mechanically whereas the motion of the free electron follows a classical trajectory. These state-to-state cross sections are calculated based on newly compiled line lists. Each atomic line list consists of a careful merger of NIST, Vanderbilt, and TOPbase line datasets from wavelength 50 nm to 50 micrometers covering the VUV to IR spectral regions. There are over 10,000 lines in each atomic line list. The widths for each line are computed at 13 electron temperatures between 1,000 K 50,000 K. A linear least squares method using a four-term fractional power series is then employed to obtain an analytical fit for each line-width variation as a function of the electron temperature. The maximum L2 error of the analytic fits for all lines in our line lists is about 5%.

Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharchenko, V.F., E-mail: vkharchenko@bitp.kiev.ua

2015-04-15

The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determinemore » the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities.« less

Closed-form expressions for state-to-state charge-transfer differential cross sections in a modified Faddeev three-body approach

NASA Astrophysics Data System (ADS)

Adivi, E. Ghanbari; Brunger, M. J.; Bolorizadeh, M. A.; Campbell, L.

2007-02-01

The second-order Faddeev-Watson-Lovelace approximation in a modified form is applied to charge transfer from hydrogenlike target atoms by a fully stripped energetic projectile ion. The state-to-state, nlm→n'l'm' , partial transition amplitudes are calculated analytically. The method is specifically applied to the collision of protons with hydrogen atoms, where differential cross sections of different transitions are calculated for incident energies of 2.8 and 5.0MeV . It is shown that the Thomas peak is present in all transition cross sections. The partial cross sections are then summed and compared with the available forward-angle experimental data, showing good agreement.

Variational Monte Carlo Method with Dirichlet Boundary Conditions: Application to the Study of Confined Systems by Impenetrable Surfaces with Different Symmetries.

PubMed

Sarsa, Antonio; Le Sech, Claude

2011-09-13

Variational Monte Carlo method is a powerful tool to determine approximate wave functions of atoms, molecules, and solids up to relatively large systems. In the present work, we extend the variational Monte Carlo approach to study confined systems. Important properties of the atoms, such as the spatial distribution of the electronic charge, the energy levels, or the filling of electronic shells, are modified under confinement. An expression of the energy very similar to the estimator used for free systems is derived. This opens the possibility to study confined systems with little changes in the solution of the corresponding free systems. This is illustrated by the study of helium atom in its ground state (1)S and the first (3)S excited state confined by spherical, cylindrical, and plane impenetrable surfaces. The average interelectronic distances are also calculated. They decrease in general when the confinement is stronger; however, it is seen that they present a minimum for excited states under confinement by open surfaces (cylindrical, planes) around the radii values corresponding to ionization. The ground (2)S and the first (2)P and (2)D excited states of the lithium atom are calculated under spherical constraints for different confinement radii. A crossing between the (2)S and (2)P states is observed around rc = 3 atomic units, illustrating the modification of the atomic energy level under confinement. Finally the carbon atom is studied in the spherical symmetry by using both variational and diffusion Monte Carlo methods. It is shown that the hybridized state sp(3) becomes lower in energy than the ground state (3)P due to a modification and a mixing of the atomic orbitals s, p under strong confinement. This result suggests a model, at least of pedagogical interest, to interpret the basic properties of carbon atom in chemistry.

Dipole-dipole interaction in cavity QED: The weak-coupling, nondegenerate regime

NASA Astrophysics Data System (ADS)

Donaire, M.; Muñoz-Castañeda, J. M.; Nieto, L. M.

2017-10-01

We compute the energies of the interaction between two atoms placed in the middle of a perfectly reflecting planar cavity, in the weak-coupling nondegenerate regime. Both inhibition and enhancement of the interactions can be obtained by varying the size of the cavity. We derive exact expressions for the dyadic Green's function of the cavity field which mediates the interactions and apply time-dependent quantum perturbation theory in the adiabatic approximation. We provide explicit expressions for the van der Waals potentials of two polarizable atomic dipoles and the electrostatic potential of two induced dipoles. We compute the van der Waals potentials in three different scenarios: two atoms in their ground states, two atoms excited, and two dissimilar atoms with one of them excited. In addition, we calculate the phase-shift rate of the two-atom wave function in each case. The effect of the two-dimensional confinement of the electromagnetic field on the dipole-dipole interactions is analyzed. This effect depends on the atomic polarization. For dipole moments oriented parallel to the cavity plates, both the electrostatic and the van der Waals interactions are exponentially suppressed for values of the cavity width much less than the interatomic distance, whereas for values of the width close to the interatomic distance, the strength of both interactions is higher than their values in the absence of cavity. For dipole moments perpendicular to the plates, the strength of the van der Waals interaction decreases for values of the cavity width close to the interatomic distance, while it increases for values of the width much less than the interatomic distance with respect to its strength in the absence of cavity. We illustrate these effects by computing the dipole-dipole interactions between two alkali atoms in circular Rydberg states.

Concurrence of three Jaynes-Cummings systems

NASA Astrophysics Data System (ADS)

Qiang, Wen-Chao; Sun, Guo-Hua; Dong, Qian; Camacho-Nieto, Oscar; Dong, Shi-Hai

2018-04-01

We apply genuine multipartite concurrence to investigate entanglement properties of three Jaynes-Cummings systems. Three atoms are initially put in GHZ-like state and locally interact with three independent cavities, respectively. We present analytical concurrence expressions for various subsystems including three-atom, three-cavity and some atom-cavity mixed systems. We also examine the global system and illustrate the evolution of its concurrence. Except for the sudden death of entanglement, we find for some initial entanglement parameter θ , the concurrence of the global system may maintain unchanged in some time intervals.

Entanglement and nonlocality versus spontaneous emission in two-atom systems

NASA Astrophysics Data System (ADS)

Jakóbczyk, L.; Jamróz, A.

2003-11-01

We study evolution of entanglement of two two-level atoms in the presence of dissipation caused by spontaneous emission. We find explicit formulas for the amount of entanglement as a function of time, in the case of destruction of the initial entanglement and possible creation of a transient entanglement between atoms. We also discuss how spontaneous emission influences nonlocality of states expressed by violation of Bell-CHSH inequality. It is shown that evolving system very quickly becomes local, even if entanglement is still present or produced.

Scattering of particles in the presence of harmonic confinement perturbed by a complex absorbing potential

NASA Astrophysics Data System (ADS)

Maghari, A.; Kermani, M. M.

2018-04-01

A system of two interacting atoms confined in 1D harmonic trap and perturbed by an absorbing boundary potential is studied using the Lippmann-Schwinger formalism. The atom-atom interaction potential was considered as a nonlocal separable model. The perturbed absorbing boundary potential was also assumed in the form of Scarf II complex absorbing potential. The model is used for the study of 1D optical lattices that support the trapping of a pair atom within a unit cell. Moreover, it allows to describe the scattering particles in a tight smooth trapping surface and to analyze the bound and resonance states. The analytical expressions for wavefunctions and transition matrix as well as the absorption probabilities are calculated. A demonstration of how the complex absorbing potential affecting the bound states and resonances of particles confined in a harmonic trap is described.

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2017-02-09

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.

The Quantum Phase-Dynamical Properties of the Squeezed Vacuum State Intensity-Couple Interacting with the Atom

NASA Technical Reports Server (NTRS)

Fan, An-Fu; Sun, Nian-Chun; Zhou, Xin

1996-01-01

The Phase-dynamical properties of the squeezed vacuum state intensity-couple interacting with the two-level atom in an ideal cavity are studied using the Hermitian phase operator formalism. Exact general expressions for the phase distribution and the associated expectation value and variance of the phase operator have been derived. we have also obtained the analytic results of the phase variance for two special cases-weakly and strongly squeezed vacuum. The results calculated numerically show that squeezing has a significant effect on the phase properties of squeezed vacuum.

On the atomic-number similarity of the binding energies of electrons in filled shells of elements of the periodic table

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karpov, V. Ya.; Shpatakovskaya, G. V., E-mail: shpagalya@yandex.ru

An expression for the binding energies of electrons in the ground state of an atom is derived on the basis of the Bohr–Sommerfeld quantization rule within the Thomas–Fermi model. The validity of this relation for all elements from neon to uranium is tested within a more perfect quantum-mechanical model with and without the inclusion of relativistic effects, as well as with experimental binding energies. As a result, the ordering of electronic levels in filled atomic shells is established, manifested in an approximate atomic-number similarity. It is proposed to use this scaling property to analytically estimate the binding energies of electronsmore » in an arbitrary atom.« less

Study of atomic coherence effects in multi-level V+Ξ system involving Rydberg state

NASA Astrophysics Data System (ADS)

Kaur, Amanjot; Singh, Neeraj; Kaur, Paramjit

2018-06-01

We present theoretical model to investigate the influence of hyperfine levels on the atomic coherences of V+Ξ Rydberg system. Using density matrix formulation, an analytical expression of atomic coherence for weak probe field is derived. The closely spaced hyperfine levels cause asymmetry and red shift while wavelength mismatching induced due to Rydberg state leads to reduction in magnitude and broadening of group index, absorption and dispersion profiles for moving atoms. Our system shows both Rydberg Electromagnetically induced transparency (EIT) with subluminal behavior and Rydberg Electromagnetically induced absorption (EIA) with superluminal propagation by adjusting the strengths of control and switching fields. Variation of group index with probe detuning reveals anomalous dispersion regions at Autler-Townes doublet positions. Group index for Doppler-broadened atoms at resonance condition has lower magnitude as compared to the stationary atoms and hence the group delay time of the pulse is also reduced. We also explore in-depth non-degenerate four-wave mixing (FWM) which is ignited due to the presence of three electromagnetic (e.m.) fields and concurrently, establish relationship between FWM and multi-photon atomic coherence. The transient behavior is also studied for practical realization of our considered system as optical switch.

Nonperturbative theory of atom-surface interaction: corrections at short separations

NASA Astrophysics Data System (ADS)

Bordag, M.; Klimchitskaya, G. L.; Mostepanenko, V. M.

2018-02-01

The nonperturbative expressions for the free energy and force of interaction between a ground-state atom and a real-material surface at any temperature are presented. The transition to the Matsubara representation is performed, whereupon the comparison is made with the commonly used perturbative results based on the standard Lifshitz theory. It is shown that the Lifshitz formulas for the free energy and force of an atom-surface interaction follow from the nonperturbative ones in the lowest order of the small parameter. Numerical computations of the free energy and force for the atoms of He{\\hspace{0pt}}\\ast and Na interacting with a surface of an Au plate have been performed using the frequency-dependent dielectric permittivity of Au and highly accurate dynamic atomic polarizabilities in the framework of both the nonperturbative and perturbative theories. According to our results, the maximum deviations between the two theories are reached at the shortest atom-surface separations of about 1 nm. Simple analytic expressions for the atom-surface free energy are derived in the classical limit and for an ideal-metal plane. In the lowest order of the small parameter, they are found in agreement with the perturbative ones following from the standard Lifshitz theory. Possible applications of the obtained results in the theory of van der Waals adsorption are discussed.

Roothaan-Hartree-Fock ground-state atomic wave functions: Slater-type orbital expansions and expectation values for Z = 2-54

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunge, C.F.; Barrientos, J.A.; Bunge, A.V.

1993-01-01

Roothaan-Hartree-Fock orbitals expressed in a Slater-type basis are reported for the ground states of He through Xe. Energy accuracy ranges between 8 and 10 significant figures, reducing by between 21 and 2,770 times the energy errors of the previous such compilation (E. Clementi and C. Roetti, Atomic Data and Nuclear Data Tables 14, 177, 1974). For each atom, the total energy, kinetic energy, potential energy, virial ratio, electron density at the nucleus, and the Kato cusp are given together with radial expectation values [l angle]r[sup n][r angle] with n from [minus]3 to 2 for each orbital, orbital energies, and orbitalmore » expansion coefficients. 29 refs., 1 tab.« less

Long-Range Adiabatic Corrections to the Ground Molecular State of Alkali-Metal Dimers.

NASA Astrophysics Data System (ADS)

Marinescu, M.; Dalgarno, A.

1997-04-01

The structure of the long-range limit of the diagonal adiabatic corrections to the ground molecular state of diatomic molecules, may be expressed as a series of inverse powers of internuclear distance, R. The coefficients of this expansion are proportional to the inverse of the nuclear mass. Thus, they may be interpreted as a nuclear mass-dependent corrections to the dispersion coefficients. Using perturbation theory we have calculated the long-range coefficients of the diagonal adiabatic corrections up to the order of R-10. The final expressions are in terms of integrals over imaginary frequencies of products of atomic matrix elements involving Green's functions of complex energy. Thus, in our approach the molecular problem is reduced to an atomic one. Numerical evaluations have been done for all alkali-metal dimers. We acknowledge the support of the U.S. Dept. of Energy.

Associative electron detachment - O(-) + H yields OH + e(-)

NASA Astrophysics Data System (ADS)

Acharya, P. K.; Kendall, R. A.; Simons, J.

1985-10-01

Diatomic associative electron detachment (AED) involves the ejection of an electron when a atomic anion and another atom collisionally associate to produce a neutral diatomic molecule in a vibration-rotation state labeled V-prime, J-prime. Electron ejection rate calculations are discussed, taking into account aspects of rate expressions, calculations of ingredients in rate expression, initial-condition weighting factors, and the vibration and rotation dependence of ejection rates. The results of ab initio theoretical simulations indicate that AED in O(-) + H is so slow (approximately 10,000 per s) that it is likely to be inaccessible to present experimental observation. Propensity for producing OH in high vibrational levels does occur but the propensity is not sharp.

Analytical ground state for the Jaynes-Cummings model with ultrastrong coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang Yuanwei; Institute of Theoretical Physics, Shanxi University, Taiyuan 030006; Chen Gang

2011-06-15

We present a generalized variational method to analytically obtain the ground-state properties of the Jaynes-Cummings model with the ultrastrong coupling. An explicit expression for the ground-state energy, which agrees well with the numerical simulation in a wide range of the experimental parameters, is given. In particular, the introduced method can successfully solve this Jaynes-Cummings model with the positive detuning (the atomic resonant level is larger than the photon frequency), which cannot be treated in the adiabatical approximation and the generalized rotating-wave approximation. Finally, we also demonstrate analytically how to control the mean photon number by means of the current experimentalmore » parameters including the photon frequency, the coupling strength, and especially the atomic resonant level.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE PAGES

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; ...

2017-01-30

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Polarizability and the optical theorem for a two-level atom with radiative broadening

NASA Astrophysics Data System (ADS)

Berman, Paul R.; Boyd, Robert W.; Milonni, Peter W.

2006-11-01

The effect of spontaneous decay on the linear polarizability of an atom is typically included by adding imaginary parts to the frequency denominators that appear in the Kramers-Heisenberg formula. It has been shown for a two-level atom with radiative broadening that these (frequency-dependent) imaginary parts must be included in both the resonant and antiresonant frequency denominators [P. W. Milonni and R. W. Boyd, Phys. Rev. A 69, 023814 (2004)]; however, the expression obtained by Milonni and Boyd for the polarizability does not satisfy the optical theorem, if contributions from non-rotating-wave terms are included. In this paper, we derive a more accurate expression for the polarizability. The calculations are rather complicated and require that we go beyond the standard Weisskopf-Wigner approximation. We present calculations carried out in both the Heisenberg and Schrödinger pictures, since they offer complementary methods for understanding the dynamics of the Rayleigh scattering associated with the atomic polarizability. Moreover, it is shown that the shifts associated with the excited state are not the Lamb shifts of an isolated atom, but depend on the dynamics of the atom-field interaction. Our results for the polarizability are consistent with those obtained recently by Loudon and Barnett using a Green’s-function approach.

Energy level diagrams for black hole orbits

NASA Astrophysics Data System (ADS)

Levin, Janna

2009-12-01

A spinning black hole with a much smaller black hole companion forms a fundamental gravitational system, like a colossal classical analog to an atom. In an appealing if imperfect analogy with atomic physics, this gravitational atom can be understood through a discrete spectrum of periodic orbits. Exploiting a correspondence between the set of periodic orbits and the set of rational numbers, we are able to construct periodic tables of orbits and energy level diagrams of the accessible states around black holes. We also present a closed-form expression for the rational q, thereby quantifying zoom-whirl behavior in terms of spin, energy and angular momentum. The black hole atom is not just a theoretical construct, but corresponds to extant astrophysical systems detectable by future gravitational wave observatories.

Cooling by spontaneous decay of highly excited antihydrogen atoms in magnetic traps.

PubMed

Pohl, T; Sadeghpour, H R; Nagata, Y; Yamazaki, Y

2006-11-24

An efficient cooling mechanism of magnetically trapped, highly excited antihydrogen (H) atoms is presented. This cooling, in addition to the expected evaporative cooling, results in trapping of a large number of H atoms in the ground state. It is found that the final fraction of trapped atoms is insensitive to the initial distribution of H magnetic quantum numbers. Expressions are derived for the cooling efficiency, demonstrating that magnetic quadrupole (cusp) traps provide stronger cooling than higher order magnetic multipoles. The final temperature of H confined in a cusp trap is shown to depend as approximately 2.2T(n0)n(0)(-2/3) on the initial Rydberg level n0 and temperature T(n0).

FAST TRACK COMMUNICATION: Two interacting atoms in a cavity: exact solutions, entanglement and decoherence

NASA Astrophysics Data System (ADS)

Torres, J. M.; Sadurní, E.; Seligman, T. H.

2010-05-01

We address the problem of two interacting atoms of different species inside a cavity and find the explicit solutions of the corresponding eigenvalues and eigenfunctions using a new variant. This model encompasses various commonly used models. By way of example we obtain closed expressions for concurrence and purity as a function of time for the case where the cavity is prepared in a number state. We discuss the behaviour of these quantities and their relative behaviour in the concurrence-purity plane.

Symmetry and equivalence restrictions in electronic structure calculations

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Taylor, Peter R.

1988-01-01

A simple method for obtaining MCSCF orbitals and CI natural orbitals adapted to degenerate point groups, with full symmetry and equivalnece restrictions, is described. Among several advantages accruing from this method are the ability to perform atomic SCF calculations on states for which the SCF energy expression cannot be written in terms of Coulomb and exchange integrals over real orbitals, and the generation of symmetry-adapted atomic natural orbitals for use in a recently proposed method for basis set contraction.

Kubo–Greenwood approach to conductivity in dense plasmas with average atom models

DOE PAGES

Starrett, C. E.

2016-04-13

In this study, a new formulation of the Kubo–Greenwood conductivity for average atom models is given. The new formulation improves upon previous treatments by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much improved agreement with ab initio results for DC conductivity of warm dense hydrogen and beryllium, and for thermal conductivity of hydrogen. We also give and test a slightly modified Ziman–Evans formula for the resistivity that includes a non-free electron density of states, thus removing an ambiguity in the original Ziman–Evans formula. Again, results based on this expression are in good agreement withmore » ab initio simulations for warm dense beryllium and hydrogen. However, for both these expressions, calculations of the electrical conductivity of warm dense aluminum lead to poor agreement at low temperatures compared to ab initio simulations.« less

a Time-Dependent Many-Electron Approach to Atomic and Molecular Interactions

NASA Astrophysics Data System (ADS)

Runge, Keith

A new methodology is developed for the description of electronic rearrangement in atomic and molecular collisions. Using the eikonal representation of the total wavefunction, time -dependent equations are derived for the electronic densities within the time-dependent Hartree-Fock approximation. An averaged effective potential which ensures time reversal invariance is used to describe the effect of the fast electronic transitions on the slower nuclear motions. Electron translation factors (ETF) are introduced to eliminate spurious asymptotic couplings, and a local ETF is incorporated into a basis of traveling atomic orbitals. A reference density is used to describe local electronic relaxation and to account for the time propagation of fast and slow motions, and is shown to lead to an efficient integration scheme. Expressions for time-dependent electronic populations and polarization parameters are given. Electronic integrals over Gaussians including ETFs are derived to extend electronic state calculations to dynamical phenomena. Results of the method are in good agreement with experimental data for charge transfer integral cross sections over a projectile energy range of three orders of magnitude in the proton-Hydrogen atom system. The more demanding calculations of integral alignment, state-to-state integral cross sections, and differential cross sections are found to agree well with experimental data provided care is taken to include ETFs in the calculation of electronic integrals and to choose the appropriate effective potential. The method is found to be in good agreement with experimental data for the calculation of charge transfer integral cross sections and state-to-state integral cross sections in the one-electron heteronuclear Helium(2+)-Hydrogen atom system and in the two-electron system, Hydrogen atom-Hydrogen atom. Time-dependent electronic populations are seen to oscillate rapidly in the midst of collision event. In particular, multiple exchanges of the electron are seen to occur in the proton-Hydrogen atom system at low collision energies. The concepts and results derived from the approach provide new insight into the dynamics of nuclear screening and electronic rearrangement in atomic collisions.

A search for chemical laser action in low pressure metal vapor flames. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Zwillenberg, M. L.

1975-01-01

Optical emissions were studied from low pressure (approximately 1 torr) dilute diffusion flames of Ca and Mg vapor with O2, N2O and mixtures of CCl4 and O2. The Ca flames with O2 and N2O revealed high vibrational excitation of the product CaO molecule (up to v=30). The flames with CCl4 revealed extreme nonequilibrium metal atom electronic excitation, up to the metal atom ionization limit (6.1 eV for Ca, 7.6 eV for Mg). The metal atom excited electronic state populations did not follow a Boltzmann distribution, but the excitation rates ('pumping rate') were found to obey an Arrhenius-type expression, with the electronic excitation energy playing the role of activation energy and a temperature of about 5000 K for triplet excited states and 2500 K for singlets (vs. approximately 500 K translational temperature).

Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levashov, V. A.

2016-03-07

It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids’ structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectorsmore » of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ{sub 1} ≥ λ{sub 2} ≥ λ{sub 3} ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ{sub 2}/λ{sub 1}) and (λ{sub 3}/λ{sub 2}) are essentially identical to each other in the liquids state. We also found that λ{sub 2} tends to be equal to the geometric average of λ{sub 1} and λ{sub 3}. In our view, correlations between the eigenvalues may represent “the Poisson ratio effect” at the atomic scale.« less

Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors.

PubMed

Levashov, V A

2016-03-07

It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids' structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ1 ≥ λ2 ≥ λ3 ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ2/λ1) and (λ3/λ2) are essentially identical to each other in the liquids state. We also found that λ2 tends to be equal to the geometric average of λ1 and λ3. In our view, correlations between the eigenvalues may represent "the Poisson ratio effect" at the atomic scale.

Diagrammatic technique for calculating matrix elements of collective operators in superradiance. [eigenstates for N two-level atom systems

NASA Technical Reports Server (NTRS)

Lee, C. T.

1975-01-01

Adopting the so-called genealogical construction, one can express the eigenstates of collective operators corresponding to a specified mode for an N-atom system in terms of those for an (N-1) atom system. Using these Dicke states as bases and using the Wigner-Eckart theorem, a matrix element of a collective operator of an arbitrary mode can be written as the product of an m-dependent factor and an m-independent reduced matrix element (RME). A set of recursion formulas for the RME is obtained. A graphical representation of the RME on the branching diagram for binary irreducible representations of permutation groups is then introduced. This gives a simple and systematic way of calculating the RME. This method is especially useful when the cooperation number r is close to N/2, where almost exact asymptotic expressions can be obtained easily. The result shows explicity the geometry dependence of superradiance and the relative importance of r-conserving and r-nonconserving processes.

Storage and retrieval of time-entangled soliton trains in a three-level atom system coupled to an optical cavity

NASA Astrophysics Data System (ADS)

Welakuh, Davis D. M.; Dikandé, Alain M.

2017-11-01

The storage and subsequent retrieval of coherent pulse trains in the quantum memory (i.e. cavity-dark state) of three-level Λ atoms, are considered for an optical medium in which adiabatic photon transfer occurs under the condition of quantum impedance matching. The underlying mechanism is based on intracavity Electromagnetically-Induced Transparency, by which properties of a cavity filled with three-level Λ-type atoms are manipulated by an external control field. Under the impedance matching condition, we derive analytic expressions that suggest a complete transfer of an input field into the cavity-dark state by varying the mixing angle in a specific way, and its subsequent retrieval at a desired time. We illustrate the scheme by demonstrating the complete transfer and retrieval of a Gaussian, a single hyperbolic-secant and a periodic train of time-entangled hyperbolic-secant input photon pulses in the atom-cavity system. For the time-entangled hyperbolic-secant input field, a total controllability of the periodic evolution of the dark state population is made possible by changing the Rabi frequency of the classical driving field, thus allowing to alternately store and retrieve high-intensity photons from the optically dense Electromagnetically-Induced transparent medium. Such multiplexed photon states, which are expected to allow sharing quantum information among many users, are currently of very high demand for applications in long-distance and multiplexed quantum communication.

Composition Formulas of Inorganic Compounds in Terms of Cluster Plus Glue Atom Model.

PubMed

Ma, Yanping; Dong, Dandan; Wu, Aimin; Dong, Chuang

2018-01-16

The present paper attempts to identify the molecule-like structural units in inorganic compounds, by applying the so-called "cluster plus glue atom model". This model, originating from metallic glasses and quasi-crystals, describes any structure in terms of a nearest-neighbor cluster and a few outer-shell glue atoms, expressed in the cluster formula [cluster](glue atoms). Similar to the case for normal molecules where the charge transfer occurs within the molecule to meet the commonly known octet electron rule, the octet state is reached after matching the nearest-neighbor cluster with certain outer-shell glue atoms. These kinds of structural units contain information on local atomic configuration, chemical composition, and electron numbers, just as for normal molecules. It is shown that the formulas of typical inorganic compounds, such as fluorides, oxides, and nitrides, satisfy a similar octet electron rule, with the total number of valence electrons per unit formula being multiples of eight.

Quantum noise in a transversely-pumped-cavity Bose-Hubbard model

NASA Astrophysics Data System (ADS)

Nagy, Dávid; Kónya, Gábor; Domokos, Peter; Szirmai, Gergely

2018-06-01

We investigate the quantum measurement noise effects on the dynamics of an atomic Bose lattice gas inside an optical resonator. We describe the dynamics by means of a hybrid model consisting of a Bose-Hubbard Hamiltonian for the atoms and a Heisenberg-Langevin equation for the lossy cavity-field mode. We assume that the atoms are prepared initially in the ground state of the lattice Hamiltonian and then start to interact with the cavity mode. We show that the cavity-field fluctuations originating from the dissipative outcoupling of photons from the resonator lead to vastly different effects in the different possible ground-state phases, i.e., the superfluid, the supersolid, the Mott and charge-density-wave phases. In the former two phases with the presence of a superfluid wavefunction, the quantum measurement noise appears as a driving term leading to depletion of the ground state. The timescale for the system to leave the ground state is presented in a simple analytical form. For the latter two incompressible phases, the quantum noise results in the fluctuation of the chemical potential. We derive an analytical expression for the corresponding broadening of the quasiparticle resonances.

Formation of AlCl by radiative association

NASA Astrophysics Data System (ADS)

Andreazza, C. M.; de Almeida, A. A.; Vichietti, R. M.

2018-06-01

The rate coefficient for the formation of aluminium monochloride, AlCl, from the radiative association of aluminium and chlorine atoms is estimated as a function of temperature. The coupling of the Al and Cl atoms through the A1Π molecular electronic state, which undergoes radiative transition to the X1Σ+ ground state, is the most efficient transition to form AlCl. The rate constant was found to vary with temperature according to the expressions k(T) = 1.22 × 10-16(T/300)0.40exp (-748/T) cm3 s-1 for temperatures between 300 and 1000 K, and k(T) = 2.20 × 10-16(T/300)0.175exp (-1067/T) cm3 s-1 for temperatures between 1000 and 14 000 K.

Control of atomic transition rates via laser-light shaping

NASA Astrophysics Data System (ADS)

Jáuregui, R.

2015-04-01

A modular systematic analysis of the feasibility of modifying atomic transition rates by tailoring the electromagnetic field of an external coherent light source is presented. The formalism considers both the center of mass and internal degrees of freedom of the atom, and all properties of the field: frequency, angular spectrum, and polarization. General features of recoil effects for internal forbidden transitions are discussed. A comparative analysis of different structured light sources is explicitly worked out. It includes spherical waves, Gaussian beams, Laguerre-Gaussian beams, and propagation invariant beams with closed analytical expressions. It is shown that increments in the order of magnitude of the transition rates for Gaussian and Laguerre-Gaussian beams, with respect to those obtained in the paraxial limit, require waists of the order of the wavelength, while propagation invariant modes may considerably enhance transition rates under more favorable conditions. For transitions that can be naturally described as modifications of the atomic angular momentum, this enhancement is maximal (within propagation invariant beams) for Bessel modes, Mathieu modes can be used to entangle the internal and center-of-mass involved states, and Weber beams suppress this kind of transition unless they have a significant component of odd modes. However, if a recoil effect of the transition with an adequate symmetry is allowed, the global transition rate (center of mass and internal motion) can also be enhanced using Weber modes. The global analysis presented reinforces the idea that a better control of the transitions between internal atomic states requires both a proper control of the available states of the atomic center of mass, and shaping of the background electromagnetic field.

s -wave scattering length of a Gaussian potential

NASA Astrophysics Data System (ADS)

Jeszenszki, Peter; Cherny, Alexander Yu.; Brand, Joachim

2018-04-01

We provide accurate expressions for the s -wave scattering length for a Gaussian potential well in one, two, and three spatial dimensions. The Gaussian potential is widely used as a pseudopotential in the theoretical description of ultracold-atomic gases, where the s -wave scattering length is a physically relevant parameter. We first describe a numerical procedure to compute the value of the s -wave scattering length from the parameters of the Gaussian, but find that its accuracy is limited in the vicinity of singularities that result from the formation of new bound states. We then derive simple analytical expressions that capture the correct asymptotic behavior of the s -wave scattering length near the bound states. Expressions that are increasingly accurate in wide parameter regimes are found by a hierarchy of approximations that capture an increasing number of bound states. The small number of numerical coefficients that enter these expressions is determined from accurate numerical calculations. The approximate formulas combine the advantages of the numerical and approximate expressions, yielding an accurate and simple description from the weakly to the strongly interacting limit.

SYMBMAT: Symbolic computation of quantum transition matrix elements

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.

2012-08-01

We have developed a set of Mathematica notebooks to compute symbolically quantum transition matrices relevant for atomic ionization processes. The utilization of a symbolic language allows us to obtain analytical expressions for the transition matrix elements required in charged-particle and laser induced ionization of atoms. Additionally, by using a few simple commands, it is possible to export these symbolic expressions to standard programming languages, such as Fortran or C, for the subsequent computation of differential cross sections or other observables. One of the main drawbacks in the calculation of transition matrices is the tedious algebraic work required when initial states other than the simple hydrogenic 1s state need to be considered. Using these notebooks the work is dramatically reduced and it is possible to generate exact expressions for a large set of bound states. We present explicit examples of atomic collisions (in First Born Approximation and Distorted Wave Theory) and laser-matter interactions (within the Dipole and Strong Field Approximations and different gauges) using both hydrogenic wavefunctions and Slater-Type Orbitals with arbitrary nlm quantum numbers as initial states. Catalogue identifier: AEMI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 71 628 No. of bytes in distributed program, including test data, etc.: 444 195 Distribution format: tar.gz Programming language: Mathematica Computer: Single machines using Linux or Windows (with cores with any clock speed, cache memory and bits in a word) Operating system: Any OS that supports Mathematica. The notebooks have been tested under Windows and Linux and with versions 6.x, 7.x and 8.x Classification: 2.6 Nature of problem: The notebooks generate analytical expressions for quantum transition matrix elements required in diverse atomic processes: ionization by ion, electron, or photon impact and ionization within the framework of strong field physics. In charged-particle collisions approaches based on perturbation theory enjoy widespread utilization. Accordingly, we have chosen the First Born Approximation and Distorted Wave theories as examples. In light-matter interactions, the main ingredient for many types of calculations is the dipole transition matrix in its different formulations, i.e. length, velocity, and acceleration gauges. In all these cases the transitions of interest occur between a bound state and a continuum state which can be described in different ways. With the notebooks developed in the present work it is possible to calculate transition matrix elements analytically for any set of quantum numbers nlm of initial hydrogenic states or Slater-Type Orbitals and for plane waves or Coulomb waves as final continuum states. Solution method: The notebooks employ symbolic computation to generate analytical expressions for transition matrix elements used in both collision and light-matter interaction physics. fba_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the First Born Approximation (FBA). The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a plane wave (PW) or a Coulomb wave (CW). distorted_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in Distorted Wave (DW) theories. The transitions considered are from a (distorted) bound hydrogenic state with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the Strong Field Approximation (SFA)) or a CW (the Coulomb-Volkov Approximation (CVA)). dipoleVelocity_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). For the case of the CVA we only include the transition from the 1s state to a continuum state represented by a CW. fba_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the FBA. The transitions considered are from a Slater-Type Orbital (STO) with arbitrary quantum numbers nlm to a continuum state represented by a PW or a CW. distorted_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in DW theories. The transitions considered are from a (distorted) STO with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleVelocity_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). The symbolic expressions obtained within each notebook can be exported to standard programming languages such as Fortran or C using the Format.m package (see the text and Ref. Sofroniou (1993) [16] for details). Running time: Computational times vary according to the transition matrix selected and quantum numbers nlm of the initial state used. The typical running time is several minutes, but it will take longer for large values of nlm.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Orlenko, E. V., E-mail: eorlenko@mail.ru; Evstafev, A. V.; Orlenko, F. E.

A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithiummore » atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morante, S., E-mail: morante@roma2.infn.it; Rossi, G.C., E-mail: rossig@roma2.infn.it; Centro Fermi-Museo Storico della Fisica e Centro Studi e Ricerche E. Fermi, Compendio del Viminale, Piazza del Viminale 1, I-00184 Rome

We give a novel and simple proof of the DFT expression for the interatomic force field that drives the motion of atoms in classical Molecular Dynamics, based on the observation that the ground state electronic energy, seen as a functional of the external potential, is the Legendre transform of the Hohenberg–Kohn functional, which in turn is a functional of the electronic density. We show in this way that the so-called Hellmann–Feynman analytical formula, currently used in numerical simulations, actually provides the exact expression of the interatomic force.

Van-der-Waals interaction of atoms in dipolar Rydberg states

NASA Astrophysics Data System (ADS)

Kamenski, Aleksandr A.; Mokhnenko, Sergey N.; Ovsiannikov, Vitaly D.

2018-02-01

An asymptotic expression for the van-der-Waals constant C 6( n) ≈ -0.03 n 12 K p ( x) is derived for the long-range interaction between two highly excited hydrogen atoms A and B in their extreme Stark states of equal principal quantum numbers n A = n B = n ≫ 1 and parabolic quantum numbers n 1(2) = n - 1, n 2(1) = m = 0 in the case of collinear orientation of the Stark-state dipolar electric moments and the interatomic axis. The cubic polynomial K 3( x) in powers of reciprocal values of the principal quantum number x = 1/ n and quadratic polynomial K 2( y) in powers of reciprocal values of the principal quantum number squared y = 1/ n 2 were determined on the basis of the standard curve fitting polynomial procedure from the calculated data for C 6( n). The transformation of attractive van-der-Waals force ( C 6 > 0) for low-energy states n < 23 into repulsive force ( C 6 < 0) for all higher-energy states of n ≥ 23, is observed from the results of numerical calculations based on the second-order perturbation theory for the operator of the long-range interaction between neutral atoms. This transformation is taken into account in the asymptotic formulas (in both cases of p = 2, 3) by polynomials K p tending to unity at n → ∞ ( K p (0) = 1). The transformation from low- n attractive van-der-Waals force into high- n repulsive force demonstrates the gradual increase of the negative contribution to C 6( n) from the lower-energy two-atomic states, of the A(B)-atom principal quantum numbers n'A(B) = n-Δ n (where Δ n = 1, 2, … is significantly smaller than n for the terms providing major contribution to the second-order series), which together with the states of n″B(A) = n+Δ n make the joint contribution proportional to n 12. So, the hydrogen-like manifold structure of the energy spectrum is responsible for the transformation of the power-11 asymptotic dependence C 6( n) ∝ n 11of the low-angular-momenta Rydberg states in many-electron atoms into the power-12 dependence C 6( n) ∝ n 12 for the dipolar states of the Rydberg manifold.

Diffraction and quantum control of wave functions in nonresonant two-photon absorption

NASA Astrophysics Data System (ADS)

Li, Baihong; Pang, Huafeng; Wang, Doudou; Zhang, Tao; Dong, Ruifang; Li, Yongfang

2018-03-01

In this study, the nonresonant two-photon absorption process in a two-level atom, induced by a weak chirped pulse, is theoretically investigated in the frequency domain. An analytical expression of the wave function expressed by Fresnel functions is obtained, and the two-photon transition probability (TPTP) versus the integral bandwidth, spectral width, and chirp parameter is analyzed. The results indicate that the oscillation evolution of the TPTP result from quantum diffraction of the wave function, which can be explained by analogy with Fresnel diffraction from a wide slit in the spatial domain. Moreover, the ratio between the real and imaginary parts of the excited state wave function and, hence, the atomic polarization, can be controlled by the initial phase of the excitation pulse. In some special initial phase of the excitation pulse, the wave functions with purely real or imaginary parts can be obtained by measuring the population probability. This work provides a novel perspective for understanding the physical details of the interactions between atoms and chirped light pulses in the multiphoton process.

NLTE steady-state response matrix method.

NASA Astrophysics Data System (ADS)

Faussurier, G.; More, R. M.

2000-05-01

A connection between atomic kinetics and non-equilibrium thermodynamics has been recently established by using a collisional-radiative model modified to include line absorption. The calculated net emission can be expressed as a non-local thermodynamic equilibrium (NLTE) symmetric response matrix. In the paper, this connection is extended to both cases of the average-atom model and the Busquet's model (RAdiative-Dependent IOnization Model, RADIOM). The main properties of the response matrix still remain valid. The RADIOM source function found in the literature leads to a diagonal response matrix, stressing the absence of any frequency redistribution among the frequency groups at this order of calculation.

Magnus expansion method for two-level atom interacting with few-cycle pulse

NASA Astrophysics Data System (ADS)

Begzjav, T.; Ben-Benjamin, J. S.; Eleuch, H.; Nessler, R.; Rostovtsev, Y.; Shchedrin, G.

2018-06-01

Using the Magnus expansion to the fourth order, we obtain analytic expressions for the atomic state of a two-level system driven by a laser pulse of arbitrary shape with small pulse area. We also determine the limitation of our obtained formulas due to limited range of convergence of the Magnus series. We compare our method to the recently developed method of Rostovtsev et al. (PRA 2009, 79, 063833) for several detunings. Our analysis shows that our technique based on the Magnus expansion can be used as a complementary method to the one in PRA 2009.

A fast and accurate algorithm for QTAIM integration in solids.

PubMed

Otero-de-la-Roza, A; Luaña, Víctor

2011-01-30

A new algorithm is presented for the calculation of atomic properties, in the sense of the quantum theory of atoms in molecules. This new method, named QTREE, applies to solid-state densities and allows the computation of the atomic properties of all the atoms in the crystal in seconds to minutes. The basis of the method is the recursive subdivision of a symmetry-reduced wedge of the Wigner-Seitz cell, which in turn is expressed as a union of tetrahedra, plus the use of β-spheres to improve the performance. A considerable speedup is thus achieved compared with traditional quadrature-based schemes, justified by the poor performance of the latter because of the particular features of atomic basins in solids. QTREE can use both analytical or interpolated densities, calculates all the atomic properties available, and converges to the correct values in the limit of infinite precision. Several gradient path tracing and integration techniques are tested. Basin volumes and charges for a selected set of 11 crystals are determined as a test of the new method. Copyright © 2010 Wiley Periodicals, Inc.

Second-order relativistic corrections for the S(L=0) states in one- and two-electron atomic systems

NASA Astrophysics Data System (ADS)

Frolov, A. M.; Mitelut, C. C.; Zhong, Z.

2005-01-01

An analytical approach is developed to compute the first- (similar to alpha(2)) and second-order (similar to alpha(4)) relativistic corrections in one- and two-electron atomic systems. The approach is based on the reduction of all operators to divergent (singular) and nondivergent (regular) parts. Then, we show that all the divergent parts from the differentmatrix elements cancel each other. The remaining expression contains only regular operators and its expectation value can be easily computed. Analysis of the S(L = 0) states in such systems is of specific interest since the corresponding operators for these states contain a large number of singularities. For one-electron systems the computed relativistic corrections coincide exactly with the appropriate result that follows from the Taylor expansion of the relativistic (i.e., Dirac) energy. We also discuss an alternative approach that allows one to cancel all singularities by using the so-called operator-compensation technique. This second approach is found to be very effective in applications of more complex systems, such as helium-like atoms and ions, H-2(+)-like ions, and some exotic three-body systems.

Comparing International Textbooks to Develop Historical Thinking

ERIC Educational Resources Information Center

DeRose, John J.

2007-01-01

Students have frequently expressed curiosity about the way past events involving the United States were viewed by other nations. For instance, students have often wondered how World War II is presented to students in Germany, or what students in Japan learn about the dropping of the atomic bombs. To help his students look at events from a global…

Method and apparatus for quantum information processing using entangled neutral-atom qubits

DOEpatents

Jau, Yuan Yu; Biedermann, Grant; Deutsch, Ivan

2018-04-03

A method for preparing an entangled quantum state of an atomic ensemble is provided. The method includes loading each atom of the atomic ensemble into a respective optical trap; placing each atom of the atomic ensemble into a same first atomic quantum state by impingement of pump radiation; approaching the atoms of the atomic ensemble to within a dipole-dipole interaction length of each other; Rydberg-dressing the atomic ensemble; during the Rydberg-dressing operation, exciting the atomic ensemble with a Raman pulse tuned to stimulate a ground-state hyperfine transition from the first atomic quantum state to a second atomic quantum state; and separating the atoms of the atomic ensemble by more than a dipole-dipole interaction length.

Change in the frequency and intensity of the spectral lines of a hydrogen-like atom in the field of a point charge

NASA Astrophysics Data System (ADS)

Ovsyannikov, V. D.; Kamenskii, A. A.

2002-03-01

The changes in the wave functions and the energies of a hydrogen-like atom in the static field of a structureless charged particle are calculated in the asymptotic approximation. The corrections to the energy of states, as well as to the dipole matrix elements of radiative transitions caused by the interaction of the atom with the point charge at long range are calculated using the perturbation theory and the Sturm series for a reduced Coulomb Green’s function in parabolic coordinates. The analytical expressions are derived and tables of numerical values of the coefficients of asymptotic series that determine the corrections to the matrix elements and the intensities of transitions of the Lyman and Balmer series are presented.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Safari, L., E-mail: laleh.safari@ist.ac.at; Department of Physics, University of Oulu, Box 3000, FI-90014 Oulu; Santos, J. P.

Atomic form factors are widely used for the characterization of targets and specimens, from crystallography to biology. By using recent mathematical results, here we derive an analytical expression for the atomic form factor within the independent particle model constructed from nonrelativistic screened hydrogenic wave functions. The range of validity of this analytical expression is checked by comparing the analytically obtained form factors with the ones obtained within the Hartee-Fock method. As an example, we apply our analytical expression for the atomic form factor to evaluate the differential cross section for Rayleigh scattering off neutral atoms.

Characteristic expression of fukutin in gastric cancer among atomic bomb survivors.

PubMed

Pham, Trang T B; Oue, Naohide; Yamamoto, Manabu; Fujihara, Megumu; Ishida, Teruyoshi; Mukai, Shoichiro; Sakamoto, Naoya; Sentani, Kazuhiro; Yasui, Wataru

2017-02-01

Approximately 70 years have passed since the atomic bombs were dropped on Nagasaki and Hiroshima. To elucidate potential biomarkers and possible mechanisms of radiation-induced cancer, the expression of FKTN , which encodes fukutin protein and causes Fukuyama-type congenital muscular dystrophy, was analyzed in gastric cancer (GC) tissue samples from atomic bomb survivors. Expression of cluster of differentiation (CD) 10 was also evaluated, as it has previously been observed that positive fukutin expression was frequently noted in CD10-positive GC cases. In the first cohort from Hiroshima Red Cross Hospital and Atomic-Bomb Survivors Hospital (Hiroshima, Japan; n=92), 102 (53%) of the GC cases were positive for fukutin. Expression of fukutin was not associated with exposure status, but was associated with CD10 expression (P=0.0001). The second cohort was from Hiroshima University Hospital (Hiroshima, Japan; n=86), and these patients were also in the Life Span Study cohort, in which atomic bomb radiation doses were precisely estimated using the DS02 system. Expression of fukutin was detected in 58 (67%) of GC cases. GC cases positive for fukutin were observed more frequently in the low dose-exposed group than in the high dose-exposed group (P=0.0001). Further studies with a larger cohort, including precise radiation dose estimation, may aid in clarifying whether fukutin could serve as a potential biomarker to define radiation-induced GC in atomic-bomb survivors.

Characteristic expression of fukutin in gastric cancer among atomic bomb survivors

PubMed Central

Pham, Trang T.B.; Oue, Naohide; Yamamoto, Manabu; Fujihara, Megumu; Ishida, Teruyoshi; Mukai, Shoichiro; Sakamoto, Naoya; Sentani, Kazuhiro; Yasui, Wataru

2017-01-01

Approximately 70 years have passed since the atomic bombs were dropped on Nagasaki and Hiroshima. To elucidate potential biomarkers and possible mechanisms of radiation-induced cancer, the expression of FKTN, which encodes fukutin protein and causes Fukuyama-type congenital muscular dystrophy, was analyzed in gastric cancer (GC) tissue samples from atomic bomb survivors. Expression of cluster of differentiation (CD) 10 was also evaluated, as it has previously been observed that positive fukutin expression was frequently noted in CD10-positive GC cases. In the first cohort from Hiroshima Red Cross Hospital and Atomic-Bomb Survivors Hospital (Hiroshima, Japan; n=92), 102 (53%) of the GC cases were positive for fukutin. Expression of fukutin was not associated with exposure status, but was associated with CD10 expression (P=0.0001). The second cohort was from Hiroshima University Hospital (Hiroshima, Japan; n=86), and these patients were also in the Life Span Study cohort, in which atomic bomb radiation doses were precisely estimated using the DS02 system. Expression of fukutin was detected in 58 (67%) of GC cases. GC cases positive for fukutin were observed more frequently in the low dose-exposed group than in the high dose-exposed group (P=0.0001). Further studies with a larger cohort, including precise radiation dose estimation, may aid in clarifying whether fukutin could serve as a potential biomarker to define radiation-induced GC in atomic-bomb survivors. PMID:28356981

Non-equilibrium effects in high temperature chemical reactions

NASA Technical Reports Server (NTRS)

Johnson, Richard E.

1987-01-01

Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

Threshold singularities in a Fermi gas with attractive potential in one dimension

DOE PAGES

Schlottmann, P.; Zvyagin, A. A.

2015-01-15

We consider the one-dimensional gas of fermions with spin S interacting via an attractive δ-function potential using the Bethe Ansatz solution. In zero magnetic field the atoms form bound states of N=2S + 1 fermions, i.e. generalized Cooper states with each atom having a different spin component. For low energy excitations the system is a Luttinger liquid and is properly described by a conformal field theory with conformal charge c=1. The linear dispersion of a Luttinger liquid is asymptotically exact in the low-energy limit where the band curvature terms in the dispersion are irrelevant. For higher energy excitations, however, themore » spectral function displays deviations in the neighborhood of the single-particle (hole) energy, which can be described by an effective X-ray edge type model. Using the Bethe Ansatz solution we obtain expressions for the critical exponents for the single-particle (hole) Green’s function. This model can be relevant in the context of ultracold atoms with effective total spin S confined to an elongated optical trap.« less

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

NASA Astrophysics Data System (ADS)

Bubin, Sergiy; Adamowicz, Ludwik

2006-06-01

In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.

PubMed

Bubin, Sergiy; Adamowicz, Ludwik

2006-06-14

In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

Subtle Monte Carlo Updates in Dense Molecular Systems.

PubMed

Bottaro, Sandro; Boomsma, Wouter; E Johansson, Kristoffer; Andreetta, Christian; Hamelryck, Thomas; Ferkinghoff-Borg, Jesper

2012-02-14

Although Markov chain Monte Carlo (MC) simulation is a potentially powerful approach for exploring conformational space, it has been unable to compete with molecular dynamics (MD) in the analysis of high density structural states, such as the native state of globular proteins. Here, we introduce a kinetic algorithm, CRISP, that greatly enhances the sampling efficiency in all-atom MC simulations of dense systems. The algorithm is based on an exact analytical solution to the classic chain-closure problem, making it possible to express the interdependencies among degrees of freedom in the molecule as correlations in a multivariate Gaussian distribution. We demonstrate that our method reproduces structural variation in proteins with greater efficiency than current state-of-the-art Monte Carlo methods and has real-time simulation performance on par with molecular dynamics simulations. The presented results suggest our method as a valuable tool in the study of molecules in atomic detail, offering a potential alternative to molecular dynamics for probing long time-scale conformational transitions.

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

The influence of atomic alignment on absorption and emission spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Heshou; Yan, Huirong; Richter, Philipp

2018-06-01

Spectroscopic observations play essential roles in astrophysics. They are crucial for determining physical parameters in the universe, providing information about the chemistry of various astronomical environments. The proper execution of the spectroscopic analysis requires accounting for all the physical effects that are compatible to the signal-to-noise ratio. We find in this paper the influence on spectroscopy from the atomic/ground state alignment owing to anisotropic radiation and modulated by interstellar magnetic field, has significant impact on the study of interstellar gas. In different observational scenarios, we comprehensively demonstrate how atomic alignment influences the spectral analysis and provide the expressions for correcting the effect. The variations are even more pronounced for multiplets and line ratios. We show the variation of the deduced physical parameters caused by the atomic alignment effect, including alpha-to-iron ratio ([X/Fe]) and ionisation fraction. Synthetic observations are performed to illustrate the visibility of such effect with current facilities. A study of PDRs in ρ Ophiuchi cloud is presented to demonstrate how to account for atomic alignment in practice. Our work has shown that due to its potential impact, atomic alignment has to be included in an accurate spectroscopic analysis of the interstellar gas with current observational capability.

Relation between the Z-1 type expansion of the total energy of isoelectronic atoms and the many-electron theory on the electron correlation by Sinanoǧlu

NASA Astrophysics Data System (ADS)

Anno, Tosinobu; Teruya, Hirohide

1987-07-01

By applying the economical formula for the total energies of isoelectronic atoms presented by the present authors [J. Chem. Phys. 84, 6895 (1986)] to both the nonrelativistic exact energy and the Hartree-Fock energy, an expression of the Z-1 expansion type for the correlation energy is obtained for isoelectronic series involving the first-row atoms. Based upon the expression obtained, the following conclusions are derived on the relation between the Z-1 type expansion theory and Sinanoǧlu's many-electron theory (MET): (i) the Z2 term has nothing to do with the electron correlation; (ii) the term proportional to Z represents the internal correlation energy Eint in MET, at least when Z is large in comparison with the number of electrons N; (iii) the constant term in the Z-1 type expansion is the limiting value of the sum of the semi-internal and the all-external correlation energy (EF+Eu) when Z→∞ and its values for the ground-state atoms show a systematic trend when plotted against N; (iv) the sum of the Z-1 and the higher order terms in Z-1 represents the Z dependence of EF+Eu, although its small amount is attributable to a part of Eint when Z-N≲1.

Atomic density functional and diagram of structures in the phase field crystal model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ankudinov, V. E., E-mail: vladimir@ankudinov.org; Galenko, P. K.; Kropotin, N. V.

2016-02-15

The phase field crystal model provides a continual description of the atomic density over the diffusion time of reactions. We consider a homogeneous structure (liquid) and a perfect periodic crystal, which are constructed from the one-mode approximation of the phase field crystal model. A diagram of 2D structures is constructed from the analytic solutions of the model using atomic density functionals. The diagram predicts equilibrium atomic configurations for transitions from the metastable state and includes the domains of existence of homogeneous, triangular, and striped structures corresponding to a liquid, a body-centered cubic crystal, and a longitudinal cross section of cylindricalmore » tubes. The method developed here is employed for constructing the diagram for the homogeneous liquid phase and the body-centered iron lattice. The expression for the free energy is derived analytically from density functional theory. The specific features of approximating the phase field crystal model are compared with the approximations and conclusions of the weak crystallization and 2D melting theories.« less

Use of multiwavelength emission from hollow cathode lamp for measurement of state resolved atom density of metal vapor produced by electron beam evaporation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Majumder, A.; Dikshit, B.; Bhatia, M. S.

2008-09-15

State resolved atom population of metal vapor having low-lying metastable states departs from equilibrium value. It needs to be experimentally investigated. This paper reports the use of hollow cathode lamp based atomic absorption spectroscopy technique to measure online the state resolved atom density (ground and metastable) of metal vapor in an atomic beam produced by a high power electron gun. In particular, the advantage of availability of multiwavelength emission in hollow cathode lamp is used to determine the atom density in different states. Here, several transitions pertaining to a given state have also been invoked to obtain the mean valuemore » of atom density thereby providing an opportunity for in situ averaging. It is observed that at higher source temperatures the atoms from metastable state relax to the ground state. This is ascribed to competing processes of atom-atom and electron-atom collisions. The formation of collision induced virtual source is inferred from measurement of atom density distribution profile along the width of the atomic beam. The total line-of-sight average atom density measured by absorption technique using hollow cathode lamp is compared to that measured by atomic vapor deposition method. The presence of collisions is further supported by determination of beaming exponent by numerically fitting the data.« less

Time evolution, Lamb shift, and emission spectra of spontaneous emission of two identical atoms

NASA Astrophysics Data System (ADS)

Wang, Da-Wei; Li, Zheng-Hong; Zheng, Hang; Zhu, Shi-Yao

2010-04-01

A unitary transformation method is used to investigate the dynamic evolution of two multilevel atoms, in the basis of symmetric and antisymmetric states, with one atom being initially prepared in the first excited state and the other in the ground state. The unitary transformation guarantees that our calculations are based on the ground state of the atom-field system and the self-energy is subtracted at the beginning. The total Lamb shifts of the symmetric and antisymmetric states are divided into transformed shift and dynamic shift. The transformed shift is due to emitting and reabsorbing of virtual photons, by a single atom (nondynamic single atomic shift) and between the two atoms (quasi-static shift). The dynamic shift is due to the emitting and reabsorbing of real photons, by a single atom (dynamic single atomic shift) and between the two atoms (dynamic interatomic shift). The emitting and reabsorbing of virtual and real photons between the two atoms result in the interatomic shift, which does not exist for the one-atom case. The spectra at the long-time limit are calculated. If the distance between the two atoms is shorter than or comparable to the wavelength, the strong coupling between the two atoms splits the spectrum into two peaks, one from the symmetric state and the other from the antisymmetric state. The origin of the red or blue shifts for the symmetric and antisymmetric states mainly lies in the negative or positive interaction energy between the two atoms. In the investigation of the short time evolution, we find the modification of the effective density of states by the interaction between two atoms can modulate the quantum Zeno and quantum anti-Zeno effects in the decays of the symmetric and antisymmetric states.

Understanding the atomic-level Green-Kubo stress correlation function for a liquid through phonons in a model crystal

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2014-11-01

In order to gain insight into the connection between the vibrational dynamics and the atomic-level Green-Kubo stress correlation function in liquids, we consider this connection in a model crystal instead. Of course, vibrational dynamics in liquids and crystals are quite different and it is not expected that the results obtained on a model crystal should be valid for liquids. However, these considerations provide a benchmark to which the results of the previous molecular dynamics simulations can be compared. Thus, assuming that vibrations are plane waves, we derive analytical expressions for the atomic-level stress correlation functions in the classical limit and analyze them. These results provide, in particular, a recipe for analysis of the atomic-level stress correlation functions in Fourier space and extraction of the wave-vector and frequency-dependent information. We also evaluate the energies of the atomic-level stresses. The energies obtained are significantly smaller than the energies previously determined in molecular dynamics simulations of several model liquids. This result suggests that the average energies of the atomic-level stresses in liquids and glasses are largely determined by the structural disorder. We discuss this result in the context of equipartition of the atomic-level stress energies. Analysis of the previously published data suggests that it is possible to speak about configurational and vibrational contributions to the average energies of the atomic-level stresses in a glass state. However, this separation in a liquid state is problematic. We also introduce and briefly consider the atomic-level transverse current correlation function. Finally, we address the broadening of the peaks in the pair distribution function with increase of distance. We find that the peaks' broadening (by ≈40 % ) occurs due to the transverse vibrational modes, while contribution from the longitudinal modes does not change with distance.

Atom beams split by gentle persuasion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pool, R.

1994-02-25

Two different research teams have taken a big step toward atom interferometry. They have succeeded in splitting atomic beams by using atoms in spin states that neither absorb nor reemit laser light. By proper adjustment of experimental conditions, atoms are changed from one spin state to another, without passing through the intermediary excited state. The atoms in essence absorb momentum from the laser photons, without absorption or emission of photons. The change in momentum deflects atoms in the proper spin state.

Teleportation of atomic and photonic states in low-Q cavity QED

NASA Astrophysics Data System (ADS)

Peng, Zhao-Hui; Zou, Jian; Liu, Xiao-Juan; Kuang, Le-Man

2012-11-01

We propose two alternative teleportation protocols in low-Q cavity QED. Through the input-output process of photons, we can generate atom-photon entangled states as the quantum channel. Then we propose to teleport single-atom (two-atom entangled) state using coherent photonic states, and to teleport single photonic state with the assistance of three-level atom. The distinct feature of our protocols is that we can teleport both atomic and photonic states via the input-output process of photons in the low-Q cavity. Furthermore, as our protocols work in low-Q cavities and only involve virtual excitation of atoms, they are insensitive to both cavity decay and atomic spontaneous emission, and may be feasible with current technology.

Intensity and amplitude correlations in the fluorescence from atoms with interacting Rydberg states

NASA Astrophysics Data System (ADS)

Xu, Qing; Mølmer, Klaus

2015-09-01

We explore the fluorescence signals from a pair of atoms driven towards Rydberg states on a three-level ladder transition. The dipole-dipole interactions between Rydberg excited atoms significantly distort the dark state and electromagnetically induced transparency behavior observed with independent atoms and, thus, their steady-state light emission. We calculate and analyze the temporal correlations between intensities and amplitudes of the signals emitted by the atoms and explain their origin in the atomic Rydberg state interactions.

Outcome and status of microsatellite stability in Japanese atomic bomb survivors with early gastric carcinoma.

PubMed

Yamamoto, Manabu; Taguchi, Kenichi; Yamanaka, Takeharu; Matsuyama, Ayumi; Yoshinaga, Keiji; Tsutsui, Shinichi; Ishida, Teruyoshi

2013-03-01

In the decade after the 1945 atomic bombing of Hiroshima, a high incidence of leukemia was observed among atomic bomb survivors. However, the incidence of other cancers gradually increased, while that of leukemia decreased after this period. We evaluated the clinical outcome of early gastric cancer and microsatellite stability over a long-term period in atomic bomb survivors. The results of surgical treatment for early gastric cancer were reviewed for 117 atomic bomb survivors and 394 control patients between 1995 and 2006. In addition, immunohistochemical staining for hMSH2 and hMLH1 expression was performed to evaluate the status of microsatellite stability in 57 atomic bomb survivors and 82 control patients. The long-term survival rate for early gastric cancer in atomic bomb survivors was significantly lower than that in control patients (p < 0.01). Multivariable analysis revealed that age and sex were significant and independent prognostic factors for early gastric cancer. Defective hMSH2 and/or hMLH1 expression was also significantly higher in survivors than in control patients (p < 0.001). Logistic regression analysis revealed that atomic bomb survivorship was related to defective hMSH2 and/or hMLH1 expression. The prognosis of early gastric cancer in atomic bomb survivors was poor and was related to age and sex, rather than to being an atomic bomb survivor. Furthermore, a higher rate of defective hMSH2 and/or hMLH1 expression was observed in the survivors.

Asymptotic inference in system identification for the atom maser.

PubMed

Catana, Catalin; van Horssen, Merlijn; Guta, Madalin

2012-11-28

System identification is closely related to control theory and plays an increasing role in quantum engineering. In the quantum set-up, system identification is usually equated to process tomography, i.e. estimating a channel by probing it repeatedly with different input states. However, for quantum dynamical systems such as quantum Markov processes, it is more natural to consider the estimation based on continuous measurements of the output, with a given input that may be stationary. We address this problem using asymptotic statistics tools, for the specific example of estimating the Rabi frequency of an atom maser. We compute the Fisher information of different measurement processes as well as the quantum Fisher information of the atom maser, and establish the local asymptotic normality of these statistical models. The statistical notions can be expressed in terms of spectral properties of certain deformed Markov generators, and the connection to large deviations is briefly discussed.

Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. V. The two-term atom

NASA Astrophysics Data System (ADS)

Bommier, Véronique

2017-11-01

Context. In previous papers of this series, we presented a formalism able to account for both statistical equilibrium of a multilevel atom and coherent and incoherent scatterings (partial redistribution). Aims: This paper provides theoretical expressions of the redistribution function for the two-term atom. This redistribution function includes both coherent (RII) and incoherent (RIII) scattering contributions with their branching ratios. Methods: The expressions were derived by applying the formalism outlined above. The statistical equilibrium equation for the atomic density matrix is first formally solved in the case of the two-term atom with unpolarized and infinitely sharp lower levels. Then the redistribution function is derived by substituting this solution for the expression of the emissivity. Results: Expressions are provided for both magnetic and non-magnetic cases. Atomic fine structure is taken into account. Expressions are also separately provided under zero and non-zero hyperfine structure. Conclusions: Redistribution functions are widely used in radiative transfer codes. In our formulation, collisional transitions between Zeeman sublevels within an atomic level (depolarizing collisions effect) are taken into account when possible (I.e., in the non-magnetic case). However, the need for a formal solution of the statistical equilibrium as a preliminary step prevents us from taking into account collisional transfers between the levels of the upper term. Accounting for these collisional transfers could be done via a numerical solution of the statistical equilibrium equation system.

Scheme for approximate conditional teleportation of an unknown atomic state without the Bell-state measurement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng Shibiao

2004-06-01

We propose a scheme for approximately and conditionally teleporting an unknown atomic state in cavity QED. Our scheme does not involve the Bell-state measurement and thus an additional atom is unnecessary. Only two atoms and one single-mode cavity are required. The scheme may be used to teleport the state of a cavity mode to another mode using a single atom. The idea may also be used to teleport the state of a trapped ion.

Atomic entanglement purification and concentration using coherent state input-output process in low-Q cavity QED regime.

PubMed

Cao, Cong; Wang, Chuan; He, Ling-Yan; Zhang, Ru

2013-02-25

We investigate an atomic entanglement purification protocol based on the coherent state input-output process by working in low-Q cavity in the atom-cavity intermediate coupling region. The information of entangled states are encoded in three-level configured single atoms confined in separated one-side optical micro-cavities. Using the coherent state input-output process, we design a two-qubit parity check module (PCM), which allows the quantum nondemolition measurement for the atomic qubits, and show its use for remote parities to distill a high-fidelity atomic entangled ensemble from an initial mixed state ensemble nonlocally. The proposed scheme can further be used for unknown atomic states entanglement concentration. Also by exploiting the PCM, we describe a modified scheme for atomic entanglement concentration by introducing ancillary single atoms. As the coherent state input-output process is robust and scalable in realistic applications, and the detection in the PCM is based on the intensity of outgoing coherent state, the present protocols may be widely used in large-scaled and solid-based quantum repeater and quantum information processing.

Coupled tensorial forms of the second-order effective Hamiltonian for open-subshell atoms in jj-coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jursenas, Rytis, E-mail: Rytis.Jursenas@tfai.vu.l; Merkelis, Gintaras

2011-01-15

General expressions for the second-order effective atomic Hamiltonian are derived for open-subshell atoms in jj-coupling. The expansion terms are presented as N-body (N=0,1,2,3) effective operators given in the second quantization representation in coupled tensorial form. Two alternative coupled tensorial forms for each expansion term have been developed. To reduce the number of expressions of the effective Hamiltonian, the reduced matrix elements of antisymmetric two-particle wavefunctions are involved in the consideration. The general expressions presented allow the determination of the spin-angular part of expansion terms when studying correlation effects dealing with a number of problems in atomic structure calculations.

Entanglement of 3000 atoms by detecting one photon

NASA Astrophysics Data System (ADS)

Vuletic, Vladan

2016-05-01

Quantum-mechanically correlated (entangled) states of many particles are of interest in quantum information, quantum computing and quantum metrology. In particular, entangled states of many particles can be used to overcome limits on measurements performed with ensembles of independent atoms (standard quantum limit). Metrologically useful entangled states of large atomic ensembles (spin squeezed states) have been experimentally realized. These states display Gaussian spin distribution functions with a non-negative Wigner quasiprobability distribution function. We report the generation of entanglement in a large atomic ensemble via an interaction with a very weak laser pulse; remarkably, the detection of a single photon prepares several thousand atoms in an entangled state. We reconstruct a negative-valued Wigner function, and verify an entanglement depth (the minimum number of mutually entangled atoms) that comprises 90% of the atomic ensemble containing 3100 atoms. Further technical improvement should allow the generation of more complex Schrödinger cat states, and of states the overcome the standard quantum limit.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms

NASA Astrophysics Data System (ADS)

Lester, Brian J.; Lin, Yiheng; Brown, Mark O.; Kaufman, Adam M.; Ball, Randall J.; Knill, Emanuel; Rey, Ana M.; Regal, Cindy A.

2018-05-01

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62 ±0.03 ). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms.

PubMed

Lester, Brian J; Lin, Yiheng; Brown, Mark O; Kaufman, Adam M; Ball, Randall J; Knill, Emanuel; Rey, Ana M; Regal, Cindy A

2018-05-11

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62±0.03). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

NASA Astrophysics Data System (ADS)

Kilcrease, D. P.; Colgan, J.; Hakel, P.; Fontes, C. J.; Sherrill, M. E.

2015-09-01

We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. The corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.

Dissipative entanglement swapping in the presence of detuning and Kerr medium: Bell state measurement method

NASA Astrophysics Data System (ADS)

Ghasemi, M.; Tavassoly, M. K.; Nourmandipour, A.

2017-12-01

In this paper, we investigate the possibility of entanglement swapping between two independent nonperfect cavities consisting of an atom with finite lifetime of atomic levels (as two independent sources of dissipation), which interacts with a quantized electromagnetic field in the presence of detuning and Kerr medium. In fact, there is no direct interaction between the two atoms, therefore, no entanglement exists between them. We use the Bell state measurement performed on the photons leaving the cavities to swap the entanglement stored between the atom-fields in each cavity into atom-atom. Our motivation comes from the fact that two-qubit entangled states are of great interest for quantum information science and technologies. We discuss the effect of the initial state of the system, the detuning parameter, the Kerr medium and the two dissipation sources on the swapped entanglement to atom-atom. We interestingly find that when the atomic decay rates and photonic leakages from the cavities are equal, our system behaves as an ideal system with no dissipation. Our results show that it is possible to create a long-living atom-atom maximally entangled state in the presence of Kerr effect and dissipation; we determine these conditions in detail and also establish the final atom-atom Bell state.

Engineering quantum hyperentangled states in atomic systems

NASA Astrophysics Data System (ADS)

Nawaz, Mehwish; -Islam, Rameez-ul; Abbas, Tasawar; Ikram, Manzoor

2017-11-01

Hyperentangled states have boosted many quantum informatics tasks tremendously due to their high information content per quantum entity. Until now, however, the engineering and manipulation of such states were limited to photonic systems only. In present article, we propose generating atomic hyperentanglement involving atomic internal states as well as atomic external momenta states. Hypersuperposition, hyperentangled cluster, Bell and Greenberger-Horne-Zeilinger states are engineered deterministically through resonant and off-resonant Bragg diffraction of neutral two-level atoms. Based on the characteristic parameters of the atomic Bragg diffraction, such as comparatively large interaction times and spatially well-separated outputs, such decoherence resistant states are expected to exhibit good overall fidelities and offer the evident benefits of full controllability, along with extremely high detection efficiency, over the counterpart photonic states comprised entirely of flying qubits.

A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein-protein interaction with an all-atom model in explicit solvent

NASA Astrophysics Data System (ADS)

Higo, Junichi; Umezawa, Koji; Nakamura, Haruki

2013-05-01

We propose a novel generalized ensemble method, a virtual-system coupled multicanonical molecular dynamics (V-McMD), to enhance conformational sampling of biomolecules expressed by an all-atom model in an explicit solvent. In this method, a virtual system, of which physical quantities can be set arbitrarily, is coupled with the biomolecular system, which is the target to be studied. This method was applied to a system of an Endothelin-1 derivative, KR-CSH-ET1, known to form an antisymmetric homodimer at room temperature. V-McMD was performed starting from a configuration in which two KR-CSH-ET1 molecules were mutually distant in an explicit solvent. The lowest free-energy state (the most thermally stable state) at room temperature coincides with the experimentally determined native complex structure. This state was separated to other non-native minor clusters by a free-energy barrier, although the barrier disappeared with elevated temperature. V-McMD produced a canonical ensemble faster than a conventional McMD method.

Molecular dynamics investigation of dynamical heterogeneity and local structure in the supercooled liquid and glass states of Al

NASA Astrophysics Data System (ADS)

Li, Maozhi; Wang, Cai-Zhuang; Mendelev, Mikhail I.; Ho, Kai-Ming

2008-05-01

Molecular dynamics simulations are performed to study the structure and dynamical heterogeneity in the liquid and glass states of Al using a frequently employed embedded atom potential. While the pair correlation function of the glass and liquid states displays only minor differences, the icosahedral short-range order (ISRO) and the dynamics of the two states are very different. The ISRO is much stronger in the glass than in the liquid. It is also found that both the most mobile and the most immobile atoms in the glass state tend to form clusters, and the clusters formed by the immobile atoms are more compact. In order to investigate the local environment of each atom in the liquid and glass states, a local density is defined to characterize the local atomic packing. There is a strong correlation between the local packing density and the mobility of the atoms. These results indicate that dynamical heterogeneity in glasses is directly correlated to the local structure. We also analyze the diffusion mechanisms of atoms in the liquid and glass states. It is found that for the mobile atoms in the glass state, initially they are confined in the cages formed by their nearest neighbors and vibrating. On the time scale of β relaxation, the mobile atoms try to break up the cage confinement and hop into new cages. In the supercooled liquid states, however, atoms continuously diffuse. Furthermore, it is found that on the time scale of β relaxation, some of the mobile atoms in the glass state cooperatively hop, which is facilitated by the stringlike cluster structures. On the longer time scale, it is found that a certain fraction of atoms can simultaneously hop, although they are not nearest neighbors. Further analysis shows that these hopping atoms form big and more compact clusters than the characterized most mobile atoms. The cooperative rearrangement of these big compact clusters might facilitate the simultaneous hopping of atoms in the glass states on the long time scale.

Quantum State Transmission in a Superconducting Charge Qubit-Atom Hybrid

PubMed Central

Yu, Deshui; Valado, María Martínez; Hufnagel, Christoph; Kwek, Leong Chuan; Amico, Luigi; Dumke, Rainer

2016-01-01

Hybrids consisting of macroscopic superconducting circuits and microscopic components, such as atoms and spins, have the potential of transmitting an arbitrary state between different quantum species, leading to the prospective of high-speed operation and long-time storage of quantum information. Here we propose a novel hybrid structure, where a neutral-atom qubit directly interfaces with a superconducting charge qubit, to implement the qubit-state transmission. The highly-excited Rydberg atom located inside the gate capacitor strongly affects the behavior of Cooper pairs in the box while the atom in the ground state hardly interferes with the superconducting device. In addition, the DC Stark shift of the atomic states significantly depends on the charge-qubit states. By means of the standard spectroscopic techniques and sweeping the gate voltage bias, we show how to transfer an arbitrary quantum state from the superconducting device to the atom and vice versa. PMID:27922087

Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models

PubMed Central

Elking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.

2010-01-01

In standard treatments of atomic multipole models, interaction energies, total molecular forces, and total molecular torques are given for multipolar interactions between rigid molecules. However, if the molecules are assumed to be flexible, two additional multipolar atomic forces arise due to 1) the transfer of torque between neighboring atoms, and 2) the dependence of multipole moment on internal geometry (bond lengths, bond angles, etc.) for geometry-dependent multipole models. In the current study, atomic force expressions for geometry-dependent multipoles are presented for use in simulations of flexible molecules. The atomic forces are derived by first proposing a new general expression for Wigner function derivatives ∂Dlm′m/∂Ω. The force equations can be applied to electrostatic models based on atomic point multipoles or Gaussian multipole charge density. Hydrogen bonded dimers are used to test the inter-molecular electrostatic energies and atomic forces calculated by geometry-dependent multipoles fit to the ab initio electrostatic potential (ESP). The electrostatic energies and forces are compared to their reference ab initio values. It is shown that both static and geometry-dependent multipole models are able to reproduce total molecular forces and torques with respect to ab initio, while geometry-dependent multipoles are needed to reproduce ab initio atomic forces. The expressions for atomic force can be used in simulations of flexible molecules with atomic multipoles. In addition, the results presented in this work should lead to further development of next generation force fields composed of geometry-dependent multipole models. PMID:20839297

Transfer matrix approach for the Kerr and Faraday rotation in layered nanostructures.

PubMed

Széchenyi, Gábor; Vigh, Máté; Kormányos, Andor; Cserti, József

2016-09-21

To study the optical rotation of the polarization of light incident on multilayer systems consisting of atomically thin conductors and dielectric multilayers we present a general method based on transfer matrices. The transfer matrix of the atomically thin conducting layer is obtained using the Maxwell equations. We derive expressions for the Kerr (Faraday) rotation angle and for the ellipticity of the reflected (transmitted) light as a function of the incident angle and polarization of the light. The method is demonstrated by calculating the Kerr (Faraday) angle for bilayer graphene in the quantum anomalous Hall state placed on the top of dielectric multilayers. The optical conductivity of the bilayer graphene is calculated in the framework of a four-band model.

Population Dynamics of Excited Atoms in Dissipative Cavities

NASA Astrophysics Data System (ADS)

Zou, Hong-Mei; Liu, Yu; Fang, Mao-Fa

2016-10-01

Population dynamics of excited atoms in dissipative cavities is investigated in this work. We present a method of controlling populations of excited atoms in dissipative cavities. For the initial state | e e> A B |00> a b , the repopulation of excited atoms can be obtained by using atom-cavity couplings and non-Markovian effects after the atomic excited energy decays to zero. For the initial state | g g> A B |11> a b , the two atoms can also be populated to the excited states from the initial ground states by using atom-cavity couplings and non-Markovian effects. And the stronger the atom-cavity coupling or the non-Markovian effect is, the larger the number of repopulation of excited atoms is. Particularly, when the atom-cavity coupling or the non-Markovian effect is very strong, the number of repopulation of excited atoms can be close to one in a short time and will tend to a steady value in a long time.

3 CFR - Delegation of Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic...

Code of Federal Regulations, 2011 CFR

2011-01-01

...) of the United States-India Peaceful Atomic Energy Cooperation Act of 2006, as Amended by Public Law... Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act... President by section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act of 2006...

Electron impact ionization of metastable 2P-state hydrogen atoms in the coplanar geometry

NASA Astrophysics Data System (ADS)

Dhar, S.; Nahar, N.

Triple differential cross sections (TDCS) for the ionization of metastable 2P-state hydrogen atoms by electrons are calculated for various kinematic conditions in the asymmetric coplanar geometry. In this calculation, the final state is described by a multiple-scattering theory for ionization of hydrogen atoms by electrons. Results show qualitative agreement with the available experimental data and those of other theoretical computational results for ionization of hydrogen atoms from ground state, and our first Born results. There is no available other theoretical results and experimental data for ionization of hydrogen atoms from the 2P state. The present study offers a wide scope for the experimental study for ionization of hydrogen atoms from the metastable 2P state.

Cooperative single-photon subradiant states in a three-dimensional atomic array

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jen, H.H., E-mail: sappyjen@gmail.com

2016-11-15

We propose a complete superradiant and subradiant states that can be manipulated and prepared in a three-dimensional atomic array. These subradiant states can be realized by absorbing a single photon and imprinting the spatially-dependent phases on the atomic system. We find that the collective decay rates and associated cooperative Lamb shifts are highly dependent on the phases we manage to imprint, and the subradiant state of long lifetime can be found for various lattice spacings and atom numbers. We also investigate both optically thin and thick atomic arrays, which can serve for systematic studies of super- and sub-radiance. Our proposal offers an alternative schememore » for quantum memory of light in a three-dimensional array of two-level atoms, which is applicable and potentially advantageous in quantum information processing. - Highlights: • Cooperative single-photon subradiant states in a three-dimensional atomic array. • Subradiant state manipulation via spatially-increasing phase imprinting. • Quantum storage of light in the subradiant state in two-level atoms.« less

Dispersive detection of radio-frequency-dressed states

NASA Astrophysics Data System (ADS)

Jammi, Sindhu; Pyragius, Tadas; Bason, Mark G.; Florez, Hans Marin; Fernholz, Thomas

2018-04-01

We introduce a method to dispersively detect alkali-metal atoms in radio-frequency-dressed states. In particular, we use dressed detection to measure populations and population differences of atoms prepared in their clock states. Linear birefringence of the atomic medium enables atom number detection via polarization homodyning, a form of common path interferometry. In order to achieve low technical noise levels, we perform optical sideband detection after adiabatic transformation of bare states into dressed states. The balanced homodyne signal then oscillates independently of field fluctuations at twice the dressing frequency, thus allowing for robust, phase-locked detection that circumvents low-frequency noise. Using probe pulses of two optical frequencies, we can detect both clock states simultaneously and obtain population difference as well as the total atom number. The scheme also allows for difference measurements by direct subtraction of the homodyne signals at the balanced detector, which should technically enable quantum noise limited measurements with prospects for the preparation of spin squeezed states. The method extends to other Zeeman sublevels and can be employed in a range of atomic clock schemes, atom interferometers, and other experiments using dressed atoms.

Repetitive Interrogation of 2-Level Quantum Systems

NASA Technical Reports Server (NTRS)

Prestage, John D.; Chung, Sang K.

2010-01-01

Trapped ion clocks derive information from a reference atomic transition by repetitive interrogations of the same quantum system, either a single ion or ionized gas of many millions of ions. Atomic beam frequency standards, by contrast, measure reference atomic transitions in a continuously replenished "flow through" configuration where initial ensemble atomic coherence is zero. We will describe some issues and problems that can arise when atomic state selection and preparation of the quantum atomic system is not completed, that is, optical pumping has not fully relaxed the coherence and also not fully transferred atoms to the initial state. We present a simple two-level density matrix analysis showing how frequency shifts during the state-selection process can cause frequency shifts of the measured clock transition. Such considerations are very important when a low intensity lamp light source is used for state selection, where there is relatively weak relaxation and re-pumping of ions to an initial state and much weaker 'environmental' relaxation of the atomic coherence set-up in the atomic sample.

Non-adiabatic quantum state preparation and quantum state transport in chains of Rydberg atoms

NASA Astrophysics Data System (ADS)

Ostmann, Maike; Minář, Jiří; Marcuzzi, Matteo; Levi, Emanuele; Lesanovsky, Igor

2017-12-01

Motivated by recent progress in the experimental manipulation of cold atoms in optical lattices, we study three different protocols for non-adiabatic quantum state preparation and state transport in chains of Rydberg atoms. The protocols we discuss are based on the blockade mechanism between atoms which, when excited to a Rydberg state, interact through a van der Waals potential, and rely on single-site addressing. Specifically, we discuss protocols for efficient creation of an antiferromagnetic GHZ state, a class of matrix product states including a so-called Rydberg crystal and for the state transport of a single-qubit quantum state between two ends of a chain of atoms. We identify system parameters allowing for the operation of the protocols on timescales shorter than the lifetime of the Rydberg states while yielding high fidelity output states. We discuss the effect of positional disorder on the resulting states and comment on limitations due to other sources of noise such as radiative decay of the Rydberg states. The proposed protocols provide a testbed for benchmarking the performance of quantum information processing platforms based on Rydberg atoms.

Ground state atoms confined in a real Rydberg and complex Rydberg-Scarf II potential

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam

2017-12-01

In this work, a system of two ground state atoms confined in a one-dimensional real Rydberg potential was modeled. The atom-atom interaction was considered as a nonlocal separable potential (NLSP) of rank one. This potential was assumed because it leads to an analytical solution of the Lippmann-Schwinger equation. The NLSPs are useful in the few body problems that the many-body potential at each point is replaced by a projective two-body nonlocal potential operator. Analytical expressions for the confined particle resolvent were calculated as a key function in this study. The contributions of the bound and virtual states in the complex energy plane were obtained via the derived transition matrix. Since the low energy quantum scattering problems scattering length is an important quantity, the behavior of this parameter was described versus the reduced energy considering various values of potential parameters. In a one-dimensional model, the total cross section in units of the area is not a meaningful property; however, the reflectance coefficient has a similar role. Therefore the reflectance probability and its behavior were investigated. Then a new confined potential via combining the complex absorbing Scarf II potential with the real Rydberg potential, called the Rydberg-Scarf II potential, was introduced to construct a non-Hermitian Hamiltonian. In order to investigate the effect of the complex potential, the scattering length and reflectance coefficient were calculated. It was concluded that in addition to the competition between the repulsive and attractive parts of both potentials, the imaginary part of the complex potential has an important effect on the properties of the system. The complex potential also reduces the reflectance probability via increasing the absorption probability. For all numerical computations, the parameters of a system including argon gas confined in graphite were considered.

Joint Remote State Preparation of a Single-Atom Qubit State via a GHZ Entangled State

NASA Astrophysics Data System (ADS)

Xiao, Xiao-Qi; Yao, Fengwei; Lin, Xiaochen; Gong, Lihua

2018-04-01

We proposed a physical protocol for the joint remote preparation of a single-atom qubit state via a three-atom entangled GHZ-type state previously shared by the two senders and one receiver. Only rotation operations of single-atom, which can be achieved though the resonant interaction between the two-level atom and the classical field, are required in the scheme. It shows that the splitting way of the classical information of the secret qubit not only determines the success of reconstruction of the secret qubit, but also influences the operations of the senders.

Method for generating maximally entangled states of multiple three-level atoms in cavity QED

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin Guangsheng; Li Shushen; Feng Songlin

2004-03-01

We propose a scheme to generate maximally entangled states (MESs) of multiple three-level atoms in microwave cavity QED based on the resonant atom-cavity interaction. In the scheme, multiple three-level atoms initially in their ground states are sequently sent through two suitably prepared cavities. After a process of appropriate atom-cavity interaction, a subsequent measurement on the second cavity field projects the atoms onto the MESs. The practical feasibility of this method is also discussed.

Parallel Low-Loss Measurement of Multiple Atomic Qubits

NASA Astrophysics Data System (ADS)

Kwon, Minho; Ebert, Matthew F.; Walker, Thad G.; Saffman, M.

2017-11-01

We demonstrate low-loss measurement of the hyperfine ground state of rubidium atoms by state dependent fluorescence detection in a dipole trap array of five sites. The presence of atoms and their internal states are minimally altered by utilizing circularly polarized probe light and a strictly controlled quantization axis. We achieve mean state detection fidelity of 97% without correcting for imperfect state preparation or background losses, and 98.7% when corrected. After state detection and correction for background losses, the probability of atom loss due to the state measurement is <2 % and the initial hyperfine state is preserved with >98 % probability.

Coherent π-electron dynamics of (P)-2,2'-biphenol induced by ultrashort linearly polarized UV pulses: Angular momentum and ring current

NASA Astrophysics Data System (ADS)

Mineo, H.; Lin, S. H.; Fujimura, Y.

2013-02-01

The results of a theoretical investigation of coherent π-electron dynamics for nonplanar (P)-2,2'-biphenol induced by ultrashort linearly polarized UV pulses are presented. Expressions for the time-dependent coherent angular momentum and ring current are derived by using the density matrix method. The time dependence of these coherences is determined by the off-diagonal density matrix element, which can be obtained by solving the coupled equations of motion of the electronic-state density matrix. Dephasing effects on coherent angular momentum and ring current are taken into account within the Markov approximation. The magnitudes of the electronic angular momentum and current are expressed as the sum of expectation values of the corresponding operators in the two phenol rings (L and R rings). Here, L (R) denotes the phenol ring in the left (right)-hand side of (P)-2,2'-biphenol. We define the bond current between the nearest neighbor carbon atoms Ci and Cj as an electric current through a half plane perpendicular to the Ci-Cj bond. The bond current can be expressed in terms of the inter-atomic bond current. The inter-atomic bond current (bond current) depends on the position of the half plane on the bond and has the maximum value at the center. The coherent ring current in each ring is defined by averaging over the bond currents. Since (P)-2,2'-biphenol is nonplanar, the resultant angular momentum is not one-dimensional. Simulations of the time-dependent coherent angular momentum and ring current of (P)-2,2'-biphenol excited by ultrashort linearly polarized UV pulses are carried out using the molecular parameters obtained by the time-dependent density functional theory (TD-DFT) method. Oscillatory behaviors in the time-dependent angular momentum (ring current), which can be called angular momentum (ring current) quantum beats, are classified by the symmetry of the coherent state, symmetric or antisymmetric. The bond current of the bridge bond linking the L and R rings is zero for the symmetric coherent state, while it is nonzero for the antisymmetric coherent state. The magnitudes of ring current and ring current-induced magnetic field are also evaluated, and their possibility as a control parameter in ultrafast switching devices is discussed. The present results give a detailed description of the theoretical treatment reported in our previous paper [H. Mineo, M. Yamaki, Y. Teranish, M. Hayashi, S. H. Lin, and Y. Fujimura, J. Am. Chem. Soc. 134, 14279 (2012), 10.1021/ja3047848].

Coherent π-electron dynamics of (P)-2,2'-biphenol induced by ultrashort linearly polarized UV pulses: angular momentum and ring current.

PubMed

Mineo, H; Lin, S H; Fujimura, Y

2013-02-21

The results of a theoretical investigation of coherent π-electron dynamics for nonplanar (P)-2,2'-biphenol induced by ultrashort linearly polarized UV pulses are presented. Expressions for the time-dependent coherent angular momentum and ring current are derived by using the density matrix method. The time dependence of these coherences is determined by the off-diagonal density matrix element, which can be obtained by solving the coupled equations of motion of the electronic-state density matrix. Dephasing effects on coherent angular momentum and ring current are taken into account within the Markov approximation. The magnitudes of the electronic angular momentum and current are expressed as the sum of expectation values of the corresponding operators in the two phenol rings (L and R rings). Here, L (R) denotes the phenol ring in the left (right)-hand side of (P)-2,2'-biphenol. We define the bond current between the nearest neighbor carbon atoms Ci and Cj as an electric current through a half plane perpendicular to the Ci-Cj bond. The bond current can be expressed in terms of the inter-atomic bond current. The inter-atomic bond current (bond current) depends on the position of the half plane on the bond and has the maximum value at the center. The coherent ring current in each ring is defined by averaging over the bond currents. Since (P)-2,2'-biphenol is nonplanar, the resultant angular momentum is not one-dimensional. Simulations of the time-dependent coherent angular momentum and ring current of (P)-2,2'-biphenol excited by ultrashort linearly polarized UV pulses are carried out using the molecular parameters obtained by the time-dependent density functional theory (TD-DFT) method. Oscillatory behaviors in the time-dependent angular momentum (ring current), which can be called angular momentum (ring current) quantum beats, are classified by the symmetry of the coherent state, symmetric or antisymmetric. The bond current of the bridge bond linking the L and R rings is zero for the symmetric coherent state, while it is nonzero for the antisymmetric coherent state. The magnitudes of ring current and ring current-induced magnetic field are also evaluated, and their possibility as a control parameter in ultrafast switching devices is discussed. The present results give a detailed description of the theoretical treatment reported in our previous paper [H. Mineo, M. Yamaki, Y. Teranish, M. Hayashi, S. H. Lin, and Y. Fujimura, J. Am. Chem. Soc. 134, 14279 (2012)].

An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

DOE PAGES

Kilcrease, D. P.; Colgan, J.; Hakel, P.; ...

2015-06-20

We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using themore » method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.« less

A hybrid system of a membrane oscillator coupled to ultracold atoms

NASA Astrophysics Data System (ADS)

Kampschulte, Tobias

2015-05-01

The control over micro- and nanomechanical oscillators has recently made impressive progress. First experiments demonstrated ground-state cooling and single-phonon control of high-frequency oscillators using cryogenic cooling and techniques of cavity optomechanics. Coupling engineered mechanical structures to microscopic quantum system with good coherence properties offers new possibilities for quantum control of mechanical vibrations, precision sensing and quantum-level signal transduction. Ultracold atoms are an attractive choice for such hybrid systems: Mechanical can either be coupled to the motional state of trapped atoms, which can routinely be ground-state cooled, or to the internal states, for which a toolbox of coherent manipulation and detection exists. Furthermore, atomic collective states with non-classical properties can be exploited to infer the mechanical motion with reduced quantum noise. Here we use trapped ultracold atoms to sympathetically cool the fundamental vibrational mode of a Si3N4 membrane. The coupling of membrane and atomic motion is mediated by laser light over a macroscopic distance and enhanced by an optical cavity around the membrane. The observed cooling of the membrane from room temperature to 650 +/- 230 mK shows that our hybrid mechanical-atomic system operates at a large cooperativity. Our scheme could provide ground-state cooling and quantum control of low-frequency oscillators such as levitated nanoparticles, in a regime where purely optomechanical techniques cannot reach the ground state. Furthermore, we will present a scheme where an optomechanical system is coupled to internal states of ultracold atoms. The mechanical motion is translated into a polarization rotation which drives Raman transitions between atomic ground states. Compared to the motional-state coupling, the new scheme enables to couple atoms to high-frequency structures such as optomechanical crystals.

Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2017-04-01

A new method for calculating nuclear magnetic resonance shielding constants of relativistic atoms based on the two-component (2c), spin-orbit coupling including Dirac-exact NESC (Normalized Elimination of the Small Component) approach is developed where each term of the diamagnetic and paramagnetic contribution to the isotropic shielding constant σi s o is expressed in terms of analytical energy derivatives with regard to the magnetic field B and the nuclear magnetic moment 𝝁 . The picture change caused by renormalization of the wave function is correctly described. 2c-NESC/HF (Hartree-Fock) results for the σiso values of 13 atoms with a closed shell ground state reveal a deviation from 4c-DHF (Dirac-HF) values by 0.01%-0.76%. Since the 2-electron part is effectively calculated using a modified screened nuclear shielding approach, the calculation is efficient and based on a series of matrix manipulations scaling with (2M)3 (M: number of basis functions).

Quantum memory with optically trapped atoms.

PubMed

Chuu, Chih-Sung; Strassel, Thorsten; Zhao, Bo; Koch, Markus; Chen, Yu-Ao; Chen, Shuai; Yuan, Zhen-Sheng; Schmiedmayer, Jörg; Pan, Jian-Wei

2008-09-19

We report the experimental demonstration of quantum memory for collective atomic states in a far-detuned optical dipole trap. Generation of the collective atomic state is heralded by the detection of a Raman scattered photon and accompanied by storage in the ensemble of atoms. The optical dipole trap provides confinement for the atoms during the quantum storage while retaining the atomic coherence. We probe the quantum storage by cross correlation of the photon pair arising from the Raman scattering and the retrieval of the atomic state stored in the memory. Nonclassical correlations are observed for storage times up to 60 mus.

The multispecies modeling of the premixed, laminar steady-state ozone flame

NASA Technical Reports Server (NTRS)

Heimerl, J. M.; Coffee, T. P.

1980-01-01

Species dependent kinetic, transport and thermodynamic coefficients were employed in a one dimensional model of the premixed, laminar, steady state ozone flame. Convenient expressions for these coefficients are reported. They are based on independent measurements, no arbitrary parameters are used. The governing equations are solved using a relaxation technique and the partial differential equation package, PDECOL. Species and temperature profiles and the burning velocities are found over the range of initial ozone mole fraction of 0.25 to 1.00. The computed burning velocities are no more than 30% greater than the measurements of Streng and Grosses. Comparison with the computed results of Warnatz shows agreement within + or - 12%, even though quite different expressions for some of the kinetic coefficients were used. These differences are most obvious in the atomic oxygen and temperature profiles at an initial ozone mole fraction of unity.

Fourier-Legendre expansion of the one-electron density matrix of ground-state two-electron atoms.

PubMed

Ragot, Sébastien; Ruiz, María Belén

2008-09-28

The density matrix rho(r,r(')) of a spherically symmetric system can be expanded as a Fourier-Legendre series of Legendre polynomials P(l)(cos theta=rr(')rr(')). Application is here made to harmonically trapped electron pairs (i.e., Moshinsky's and Hooke's atoms), for which exact wavefunctions are known, and to the helium atom, using a near-exact wavefunction. In the present approach, generic closed form expressions are derived for the series coefficients of rho(r,r(')). The series expansions are shown to converge rapidly in each case, with respect to both the electron number and the kinetic energy. In practice, a two-term expansion accounts for most of the correlation effects, so that the correlated density matrices of the atoms at issue are essentially a linear functions of P(l)(cos theta)=cos theta. For example, in the case of Hooke's atom, a two-term expansion takes in 99.9% of the electrons and 99.6% of the kinetic energy. The correlated density matrices obtained are finally compared to their determinantal counterparts, using a simplified representation of the density matrix rho(r,r(')), suggested by the Legendre expansion. Interestingly, two-particle correlation is shown to impact the angular delocalization of each electron, in the one-particle space spanned by the r and r(') variables.

Coherent manipulation of a solid-state artificial atom with few photons.

PubMed

Giesz, V; Somaschi, N; Hornecker, G; Grange, T; Reznychenko, B; De Santis, L; Demory, J; Gomez, C; Sagnes, I; Lemaître, A; Krebs, O; Lanzillotti-Kimura, N D; Lanco, L; Auffeves, A; Senellart, P

2016-06-17

In a quantum network based on atoms and photons, a single atom should control the photon state and, reciprocally, a single photon should allow the coherent manipulation of the atom. Both operations require controlling the atom environment and developing efficient atom-photon interfaces, for instance by coupling the natural or artificial atom to cavities. So far, much attention has been drown on manipulating the light field with atomic transitions, recently at the few-photon limit. Here we report on the reciprocal operation and demonstrate the coherent manipulation of an artificial atom by few photons. We study a quantum dot-cavity system with a record cooperativity of 13. Incident photons interact with the atom with probability 0.95, which radiates back in the cavity mode with probability 0.96. Inversion of the atomic transition is achieved for 3.8 photons on average, showing that our artificial atom performs as if fully isolated from the solid-state environment.

Entanglement with negative Wigner function of three thousand atoms heralded by one photon

NASA Astrophysics Data System (ADS)

McConnell, Robert; Zhang, Hao; Hu, Jiazhong; Ćuk, Senka; Vuletić, Vladan

2016-06-01

Quantum-mechanically correlated (entangled) states of many particles are of interest in quantum information, quantum computing and quantum metrology. Metrologically useful entangled states of large atomic ensembles have been experimentally realized [1, 2, 3, 4, 5, 6, 7, 8, 9, 10], but these states display Gaussian spin distribution functions with a non-negative Wigner function. Non-Gaussian entangled states have been produced in small ensembles of ions [11, 12], and very recently in large atomic ensembles [13, 14, 15]. Here, we generate entanglement in a large atomic ensemble via the interaction with a very weak laser pulse; remarkably, the detection of a single photon prepares several thousand atoms in an entangled state. We reconstruct a negative-valued Wigner function, an important hallmark of nonclassicality, and verify an entanglement depth (minimum number of mutually entangled atoms) of 2910 ± 190 out of 3100 atoms. Attaining such a negative Wigner function and the mutual entanglement of virtually all atoms is unprecedented for an ensemble containing more than a few particles. While the achieved purity of the state is slightly below the threshold for entanglement-induced metrological gain, further technical improvement should allow the generation of states that surpass this threshold, and of more complex Schrödinger cat states for quantum metrology and information processing.

Probing the Quantum States of a Single Atom Transistor at Microwave Frequencies.

PubMed

Tettamanzi, Giuseppe Carlo; Hile, Samuel James; House, Matthew Gregory; Fuechsle, Martin; Rogge, Sven; Simmons, Michelle Y

2017-03-28

The ability to apply gigahertz frequencies to control the quantum state of a single P atom is an essential requirement for the fast gate pulsing needed for qubit control in donor-based silicon quantum computation. Here, we demonstrate this with nanosecond accuracy in an all epitaxial single atom transistor by applying excitation signals at frequencies up to ≈13 GHz to heavily phosphorus-doped silicon leads. These measurements allow the differentiation between the excited states of the single atom and the density of states in the one-dimensional leads. Our pulse spectroscopy experiments confirm the presence of an excited state at an energy ≈9 meV, consistent with the first excited state of a single P donor in silicon. The relaxation rate of this first excited state to the ground state is estimated to be larger than 2.5 GHz, consistent with theoretical predictions. These results represent a systematic investigation of how an atomically precise single atom transistor device behaves under radio frequency excitations.

One Photon Can Simultaneously Excite Two or More Atoms.

PubMed

Garziano, Luigi; Macrì, Vincenzo; Stassi, Roberto; Di Stefano, Omar; Nori, Franco; Savasta, Salvatore

2016-07-22

We consider two separate atoms interacting with a single-mode optical or microwave resonator. When the frequency of the resonator field is twice the atomic transition frequency, we show that there exists a resonant coupling between one photon and two atoms, via intermediate virtual states connected by counterrotating processes. If the resonator is prepared in its one-photon state, the photon can be jointly absorbed by the two atoms in their ground state which will both reach their excited state with a probability close to one. Like ordinary quantum Rabi oscillations, this process is coherent and reversible, so that two atoms in their excited state will undergo a downward transition jointly emitting a single cavity photon. This joint absorption and emission process can also occur with three atoms. The parameters used to investigate this process correspond to experimentally demonstrated values in circuit quantum electrodynamics systems.

Electron loss from hydrogen-like highly charged ions in collisions with electrons, protons and light atoms

NASA Astrophysics Data System (ADS)

Lyashchenko, K. N.; Andreev, O. Yu; Voitkiv, A. B.

2018-03-01

We consider electron loss from a hydrogen-like highly charged ion (HCI) in relativistic collisions with hydrogen and helium in the range of impact velocities v min ≤ v ≤ v max (v min and v max correspond to the threshold energy ε th for electron loss in collisions with a free electron and to ≈5 ε th, respectively) where any reliable data for loss cross sections are absent. In this range, where the loss process is characterized by large momentum transfers, we express it in terms of electron loss in collisions with equivelocity protons and electrons and explore by performing a detailed comparative study of these subprocesses. Our results, in particular, show that: (i) compared to equivelocity electrons protons are more effective in inducing electron loss, (ii) the relative effectiveness of electron projectiles grows with increase in the atomic number of a HCI, (iii) collisions with protons and electrons lead to a qualitatively different population of the final-state-electron momentum space and even when the total loss cross sections in these collisions become already equal the spectra of the outgoing electrons still remain quite different in almost the entire volume of the final-state-electron momentum space, (iv) in collisions with hydrogen and helium the contributions to the loss process from the interactions with the nucleus and the electron(s) of the atom could be rather well separated in a substantial part of the final-state-electron momentum space.

The OI/1S/ state - Its quenching by O2 and formation by the dissociative recombination of vibrationally excited O2/+/ ions

NASA Technical Reports Server (NTRS)

Zipf, E. C.

1979-01-01

The rate coefficient for the quenching of metastable O(1S) atoms by O2 was measured as a function of temperature from 250 to 550 K. The resulting Arrhenius expression correlates well with previous laboratory work. It is suggested that the much larger value of the rate coefficient inferred from an analysis of artificial auroral experiment, Precede, may be explained by overestimation of the contribution of O(1S) production from O2(+) dissociative recombination. The possibility that O(1S) atoms are produced only by the dissociative recombination of vibrationally excited O2(+) ions is examined; such excited ions would not exist in the Precede experiment because of the rapid cooling of the ions by resonant charge transfer processes.

Teleportation of Unknown Superpositions of Collective Atomic Coherent States

NASA Astrophysics Data System (ADS)

Zheng, Shi-Biao

2001-06-01

We propose a scheme to teleport an unknown superposition of two atomic coherent states with different phases. Our scheme is based on resonant and dispersive atom-field interaction. Our scheme provides a possibility of teleporting macroscopic superposition states of many atoms first time. The project supported by National Natural Science Foundation of China under Grant No. 60008003

Generalized squeezing rotating-wave approximation to the isotropic and anisotropic Rabi model in the ultrastrong-coupling regime

NASA Astrophysics Data System (ADS)

Zhang, Yu-Yu

2016-12-01

Generalized squeezing rotating-wave approximation (GSRWA) is proposed by employing both the displacement and the squeezing transformations. A solvable Hamiltonian is reformulated in the same form as the ordinary RWA ones. For a qubit coupled to oscillators experiment, a well-defined Schrödinger-cat-like entangled state is given by the displaced-squeezed oscillator state instead of the original displaced state. For the isotropic Rabi case, the mean photon number and the ground-state energy are expressed analytically with additional squeezing terms, exhibiting a substantial improvement of the GSRWA. And the ground-state energy in the anisotropic Rabi model confirms the effectiveness of the GSRWA. Due to the squeezing effect, the GSRWA improves the previous methods only with the displacement transformation in a wide range of coupling strengths even for large atom frequency.

Atom-field dressed states in slow-light waveguide QED

NASA Astrophysics Data System (ADS)

Calajó, Giuseppe; Ciccarello, Francesco; Chang, Darrick; Rabl, Peter

2016-03-01

We discuss the properties of atom-photon bound states in waveguide QED systems consisting of single or multiple atoms coupled strongly to a finite-bandwidth photonic channel. Such bound states are formed by an atom and a localized photonic excitation and represent the continuum analog of the familiar dressed states in single-mode cavity QED. Here we present a detailed analysis of the linear and nonlinear spectral features associated with single- and multiphoton dressed states and show how the formation of bound states affects the waveguide-mediated dipole-dipole interactions between separated atoms. Our results provide both a qualitative and quantitative description of the essential strong-coupling processes in waveguide QED systems, which are currently being developed in the optical and microwave regimes.

General properties of quantum optical systems in a strong field limit

NASA Technical Reports Server (NTRS)

Chumakov, S. M.; Klimov, Andrei B.

1994-01-01

We investigate the dynamics of an arbitrary atomic system (n-level atoms or many n-level atoms) interacting with a resonant quantized mode of an em field. If the initial field state is a coherent state with a large photon number then the system dynamics possesses some general features, independently of the particular structure of the atomic system. Namely, trapping states, factorization of the wave function, collapses and revivals of the atomic energy oscillations are discussed.

Absorption and emission of single attosecond light pulses in an autoionizing gaseous medium dressed by a time-delayed control field

NASA Astrophysics Data System (ADS)

Chu, Wei-Chun; Lin, C. D.

2013-01-01

An extreme ultraviolet (EUV) single attosecond pulse passing through a laser-dressed dense gas is studied theoretically. The weak EUV pulse pumps the helium gas from the ground state to the 2s2p(1P) autoionizing state, which is coupled to the 2s2(1S) autoionizing state by a femtosecond infrared laser with the intensity in the order of 1012 W/cm2. The simulation shows how the transient absorption and emission of the EUV are modified by the coupling laser. A simple analytical expression for the atomic response derived for δ-function pulses reveals the strong modification of the Fano lineshape in the spectra, where these features are quite universal and remain valid for realistic pulse conditions. We further account for the propagation of pulses in the medium and show that the EUV signal at the atomic resonance can be enhanced in the gaseous medium by more than 50% for specifically adjusted laser parameters, and that this enhancement persists as the EUV propagates in the gaseous medium. Our result demonstrates the high-level control of nonlinear optical effects that are achievable with attosecond pulses.

The quantum chemical causality of pMHC-TCR biological avidity: Peptide atomic coordination data and the electronic state of agonist N termini.

PubMed

Antipas, Georgios S E; Germenis, Anastasios E

2015-06-01

The quantum state of functional avidity of the synapse formed between a peptide-Major Histocompatibility Complex (pMHC) and a T cell receptor (TCR) is a subject not previously touched upon. Here we present atomic pair correlation meta-data based on crystalized tertiary structures of the Tax (HTLV-1) peptide along with three artificially altered variants, all of which were presented by the (Class I) HLA-A201 protein in complexation with the human (CD8(+)) A6TCR. The meta-data reveal the existence of a direct relationship between pMHC-TCR functional avidity (agonist/antagonist) and peptide pair distribution function (PDF). In this context, antagonist peptides are consistently under-coordinated in respect to Tax. Moreover, Density Functional Theory (DFT) datasets in the BLYP/TZ2P level of theory resulting from relaxation of the H species on peptide tertiary structures reveal that the coordination requirement of agonist peptides is also expressed as a physical observable of the protonation state of their N termini: agonistic peptides are always found to retain a stable ammonium (NH3 (+)) terminal group while antagonist peptides are not.

Scheme for generating the singlet state of three atoms trapped in distant cavities coupled by optical fibers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Dong-Yang; Wen, Jing-Ji; Bai, Cheng-Hua

2015-09-15

An effective scheme is proposed to generate the singlet state with three four-level atoms trapped in three distant cavities connected with each other by three optical fibers, respectively. After a series of appropriate atom–cavity interactions, which can be arbitrarily controlled via the selective pairing of Raman transitions and corresponding optical switches, a three-atom singlet state can be successfully generated. The influence of atomic spontaneous decay, photon leakage of cavities and optical fibers on the fidelity of the state is numerically simulated showing that the three-atom singlet state can be generated with high fidelity by choosing the experimental parameters appropriately.

Relativistic Ionization with Intense Linearly Polarized Light

NASA Astrophysics Data System (ADS)

Crawford, Douglas Plummer

The Strong Field Approximation (SFA) method is used to derive relativistic ionization rate expressions for ground state hydrogen-like atoms in the presence of an intense electromagnetic field. The emitted particle, which is initially bound to a hydrogen nucleus, is either an electron described by the Dirac equation, with spin effects fully included, or a spinless "electron" described by the Klein-Gordon equation. The derivations and subsequent calculations for both particles are made assuming a linearly polarized electromagnetic field which is monochromatic and which exhibits neither diffraction nor temporal dependence. From each of the relativistic ionization rate expressions, the corresponding expression in the nonrelativistic limit is derived. The resultant expressions are found to be equivalent to those derived using the SFA with the nonrelativistic formalism. This comparison provides the first check of the validity for the core results of this dissertation. Intensity-dependent ionization rates are then calculated for two ultraviolet frequencies using a numerical implementation of the derived expressions. Calculations of ionization rates and related phenomena demonstrate that there are negligible differences between relativistic and nonrelativistic predictions for low intensities. In addition, the differences in behavior between linearly and circularly polarized ionizing fields and between particles with and without spin are explored. The spin comparisons provide additional confidence in the derivations by showing negligible differences between ionization rates for Dirac and Klein -Gordon particles in strong linearly-polarized fields. Also of interest are the differential transition rates which exhibit dynamic profiles as the intensity is increased. This behavior is interpreted as an indication of more atomic influence for linearly polarized electromagnetic (em) fields than for circularly polarized em fields.

Processes of ionization of atoms in nonstationary states by the field of an attosecond pulse

NASA Astrophysics Data System (ADS)

Makarov, D. N.; Matveev, V. I.

2015-02-01

Processes of ionization at the interaction of attosecond pulses of an electromagnetic field with atoms in nonstationary states have been considered. The probabilities and ionization cross section at the radiative relaxation of an excited state of a single-electron atom and at the Auger decay of the autoionization state of a two-electron atom have been calculated. The developed method allows the expansion to the case of more complex targets, including those in the collision state, and to various chemical reactions.

Isotropically sensitive optical filter employing atomic resonance transitions

DOEpatents

Marling, J.B.

An ultra-high Q isotropically sensitive optical filter or optical detector is disclosed employing atomic resonance transitions. More specifically, atomic resonance transitions utilized in conjunction with two optical bandpass filters provide an optical detector having a wide field of view (approx. 2 ..pi.. steradians) and very narrow acceptance bandwidth approaching 0.01A. A light signal to be detected is transmitted through an outer bandpass filter into a resonantly absorbing atomic vapor, the excited atomic vapor than providing a fluorescence signal at a different wavelength which is transmitted through an inner bandpass filters have no common transmission band, therby resulting in complete blockage of all optical signals that are not resonantly shifted in wavelength by the intervening atomic vapor. Two embodiments are disclosed, one in which the light signal raises atoms contained in the atomic vapor from the ground state to an excited state from which fluorescence occurs, and the other in which a pump laser is used to raise the atoms in the ground state to a first excited state from which the light signal then is resonantly absorbed, thereby raising the atoms to a second excited state from which fluorescence occurs. A specific application is described in which an optical detector according to the present invention can be located in an orbiting satellite.

One- and Two-Color Resonant Photoionization Spectroscopy of Chromium-Doped Helium Nanodroplets

PubMed Central

2014-01-01

We investigate the photoinduced relaxation dynamics of Cr atoms embedded into superfluid helium nanodroplets. One- and two-color resonant two-photon ionization (1CR2PI and 2CR2PI, respectively) are applied to study the two strong ground state transitions z7P2,3,4° ← a7S3 and y7P2,3,4° ← a7S3. Upon photoexcitation, Cr* atoms are ejected from the droplet in various excited states, as well as paired with helium atoms as Cr*–Hen exciplexes. For the y7P2,3,4° intermediate state, comparison of the two methods reveals that energetically lower states than previously identified are also populated. With 1CR2PI we find that the population of ejected z5P3° states is reduced for increasing droplet size, indicating that population is transferred preferentially to lower states during longer interaction with the droplet. In the 2CR2PI spectra we find evidence for generation of bare Cr atoms in their septet ground state (a7S3) and metastable quintet state (a5S2), which we attribute to a photoinduced fast excitation–relaxation cycle mediated by the droplet. A fraction of Cr atoms in these ground and metastable states is attached to helium atoms, as indicated by blue wings next to bare atom spectral lines. These relaxation channels provide new insight into the interaction of excited transition metal atoms with helium nanodroplets. PMID:24708058

Entanglement with negative Wigner function of almost 3,000 atoms heralded by one photon.

PubMed

McConnell, Robert; Zhang, Hao; Hu, Jiazhong; Ćuk, Senka; Vuletić, Vladan

2015-03-26

Quantum-mechanically correlated (entangled) states of many particles are of interest in quantum information, quantum computing and quantum metrology. Metrologically useful entangled states of large atomic ensembles have been experimentally realized, but these states display Gaussian spin distribution functions with a non-negative Wigner quasiprobability distribution function. Non-Gaussian entangled states have been produced in small ensembles of ions, and very recently in large atomic ensembles. Here we generate entanglement in a large atomic ensemble via an interaction with a very weak laser pulse; remarkably, the detection of a single photon prepares several thousand atoms in an entangled state. We reconstruct a negative-valued Wigner function--an important hallmark of non-classicality--and verify an entanglement depth (the minimum number of mutually entangled atoms) of 2,910 ± 190 out of 3,100 atoms. Attaining such a negative Wigner function and the mutual entanglement of virtually all atoms is unprecedented for an ensemble containing more than a few particles. Although the achieved purity of the state is slightly below the threshold for entanglement-induced metrological gain, further technical improvement should allow the generation of states that surpass this threshold, and of more complex Schrödinger cat states for quantum metrology and information processing. More generally, our results demonstrate the power of heralded methods for entanglement generation, and illustrate how the information contained in a single photon can drastically alter the quantum state of a large system.

Ultrafast time scale X-rotation of cold atom storage qubit using Rubidium clock states

NASA Astrophysics Data System (ADS)

Song, Yunheung; Lee, Han-Gyeol; Kim, Hyosub; Jo, Hanlae; Ahn, Jaewook

2017-04-01

Ultrafast-time-scale optical interaction is a local operation on the electronic subspace of an atom, thus leaving its nuclear state intact. However, because atomic clock states are maximally entangled states of the electronic and nuclear degrees of freedom, their entire Hilbert space should be accessible only with local operations and classical communications (LOCC). Therefore, it may be possible to achieve hyperfine qubit gates only with electronic transitions. Here we show an experimental implementation of ultrafast X-rotation of atomic hyperfine qubits, in which an optical Rabi oscillation induces a geometric phase between the constituent fine-structure states, thus bringing about the X-rotation between the two ground hyperfine levels. In experiments, cold atoms in a magneto-optical trap were controlled with a femtosecond laser pulse from a Ti:sapphire laser amplifier. Absorption imaging of the as-controlled atoms initially in the ground hyperfine state manifested polarization dependence, strongly agreeing with the theory. The result indicates that single laser pulse implementations of THz clock speed qubit controls are feasible for atomic storage qubits. Samsung Science and Technology Foundation [SSTF-BA1301-12].

One-dimensional Coulomb problem in Dirac materials

NASA Astrophysics Data System (ADS)

Downing, C. A.; Portnoi, M. E.

2014-11-01

We investigate the one-dimensional Coulomb potential with application to a class of quasirelativistic systems, so-called Dirac-Weyl materials, described by matrix Hamiltonians. We obtain the exact solution of the shifted and truncated Coulomb problems, with the wave functions expressed in terms of special functions (namely, Whittaker functions), while the energy spectrum must be determined via solutions to transcendental equations. Most notably, there are critical band gaps below which certain low-lying quantum states are missing in a manifestation of atomic collapse.

Spectra of helium clusters with up to six atoms using soft-core potentials

NASA Astrophysics Data System (ADS)

Gattobigio, M.; Kievsky, A.; Viviani, M.

2011-11-01

In this paper, we investigate small clusters of helium atoms using the hyperspherical harmonic basis. We consider systems with A=2,3,4,5,6 atoms with an interparticle potential which does not present a strong repulsion at short distances. We use an attractive Gaussian potential that reproduces the values of the dimer binding energy, the atom-atom scattering length, and the effective range obtained with one of the widely used He-He interactions, the Aziz and Slaman potential, called LM2M2. In systems with more than two atoms, we consider a repulsive three-body force that, by construction, reproduces the trimer binding energy of the LM2M2 potential. With this model, consisting of the sum of a two- and three-body potential, we have calculated the spectrum of clusters formed by four, five, and six helium atoms. We have found that these systems present two bound states, one deep and one shallow, close to the threshold fixed by the energy of the (A-1)-atom system. Universal relations between the energies of the excited state of the A-atom system and the ground-state energy of the (A-1)-atom system are extracted, as well as the ratio between the ground state of the A-atom system and the ground-state energy of the trimer.

Reconstruction of the regulatory network for Bacillus subtilis and reconciliation with gene expression data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Faria, Jose P.; Overbeek, Ross; Taylor, Ronald C.

Here, we introduce a manually constructed and curated regulatory network model that describes the current state of knowledge of transcriptional regulation of B. subtilis. The model corresponds to an updated and enlarged version of the regulatory model of central metabolism originally proposed in 2008. We extended the original network to the whole genome by integration of information from DBTBS, a compendium of regulatory data that includes promoters, transcription factors (TFs), binding sites, motifs and regulated operons. Additionally, we consolidated our network with all the information on regulation included in the SporeWeb and Subtiwiki community-curated resources on B. subtilis. Finally, wemore » reconciled our network with data from RegPrecise, which recently released their own less comprehensive reconstruction of the regulatory network for B. subtilis. Our model describes 275 regulators and their target genes, representing 30 different mechanisms of regulation such as TFs, RNA switches, Riboswitches and small regulatory RNAs. Overall, regulatory information is included in the model for approximately 2500 of the ~4200 genes in B. subtilis 168. In an effort to further expand our knowledge of B. subtilis regulation, we reconciled our model with expression data. For this process, we reconstructed the Atomic Regulons (ARs) for B. subtilis, which are the sets of genes that share the same “ON” and “OFF” gene expression profiles across multiple samples of experimental data. We show how atomic regulons for B. subtilis are able to capture many sets of genes corresponding to regulated operons in our manually curated network. Additionally, we demonstrate how atomic regulons can be used to help expand or validate the knowledge of the regulatory networks by looking at highly correlated genes in the ARs for which regulatory information is lacking. During this process, we were also able to infer novel stimuli for hypothetical genes by exploring the genome expression metadata relating to experimental conditions, gaining insights into novel biology.« less

Reconstruction of the regulatory network for Bacillus subtilis and reconciliation with gene expression data

DOE PAGES

Faria, Jose P.; Overbeek, Ross; Taylor, Ronald C.; ...

2016-03-18

Here, we introduce a manually constructed and curated regulatory network model that describes the current state of knowledge of transcriptional regulation of B. subtilis. The model corresponds to an updated and enlarged version of the regulatory model of central metabolism originally proposed in 2008. We extended the original network to the whole genome by integration of information from DBTBS, a compendium of regulatory data that includes promoters, transcription factors (TFs), binding sites, motifs and regulated operons. Additionally, we consolidated our network with all the information on regulation included in the SporeWeb and Subtiwiki community-curated resources on B. subtilis. Finally, wemore » reconciled our network with data from RegPrecise, which recently released their own less comprehensive reconstruction of the regulatory network for B. subtilis. Our model describes 275 regulators and their target genes, representing 30 different mechanisms of regulation such as TFs, RNA switches, Riboswitches and small regulatory RNAs. Overall, regulatory information is included in the model for approximately 2500 of the ~4200 genes in B. subtilis 168. In an effort to further expand our knowledge of B. subtilis regulation, we reconciled our model with expression data. For this process, we reconstructed the Atomic Regulons (ARs) for B. subtilis, which are the sets of genes that share the same “ON” and “OFF” gene expression profiles across multiple samples of experimental data. We show how atomic regulons for B. subtilis are able to capture many sets of genes corresponding to regulated operons in our manually curated network. Additionally, we demonstrate how atomic regulons can be used to help expand or validate the knowledge of the regulatory networks by looking at highly correlated genes in the ARs for which regulatory information is lacking. During this process, we were also able to infer novel stimuli for hypothetical genes by exploring the genome expression metadata relating to experimental conditions, gaining insights into novel biology.« less

Atom Interferometry in the Presence of an External Test Mass

DOE PAGES

Dubetsky, Boris; Libby, Stephen; Berman, Paul

2016-04-21

The influence of an external test mass on the phase of the signal of an atom interferometer is studied theoretically. Using traditional techniques in atom optics based on the density matrix equations in the Wigner representation, we are able to extract the various contributions to the phase of the signal associated with the classical motion of the atoms, the quantum correction to this motion resulting from atomic recoil that is produced when the atoms interact with Raman field pulses and quantum corrections to the atomic motion that occur in the time between the Raman field pulses. Thus, by increasing themore » effective wave vector associated with the Raman field pulses using modified field parameters, we can increase the sensitivity of the signal to the point where such quantum corrections can be measured. Furthermore, the expressions that are derived can be evaluated numerically to isolate the contribution to the signal from an external test mass. The regions of validity of the exact and approximate expressions are determined.« less

75 FR 23563 - Delegation of Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-04

... Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act... President by section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act of 2006...

Solid-solution thermodynamics in Al-Li alloys

NASA Astrophysics Data System (ADS)

Alekseev, A. A.; Lukina, E. A.

2016-05-01

The relative equilibrium concentrations of lithium atoms distributed over different electron-structural states has been estimated. The possibility of the existence of various nonequilibrium electron-structural states of Li atoms in the solid solution in Al has been substantiated thermodynamically. Upon the decomposition of the supersaturated solid solution, the supersaturation on three electron-structural states of Li atoms that arises upon the quenching of the alloy can lead to the formation of lithium-containing phases in which the lithium atoms enter in one electron-structural state.

On the Lowest Ro-Vibrational States of Protonated Methane: Experiment and Analytical Model

NASA Astrophysics Data System (ADS)

Schmiedt, Hanno; Jensen, Per; Asvany, Oskar; Schlemmer, Stephan

2016-06-01

Protonated methane, CH_5^+, is the prototype of an extremely floppy molecule. To the best of our knowledge all barriers are surmountable in the rovibrational ground state; the large amount of zero-point vibrational energy leads to large amplitude motions for many degrees of freedom. Low resolution but broad band vibrational spectroscopy [1] revealed an extremely wide range of C-H stretching vibrations. Comparison with theoretical IR spectra supported the structural motif of a CH_3 tripod and an H_2 moiety, bound to the central carbon atom by a 3c2e bond. In a more dynamic picture the five protons surround the central carbon atom without significant restrictions on the H-C-H bending or H_n-C torsional motions. The large-amplitude internal motions preclude a simple theoretical description of the type possible for more conventional molecules, such as the related spherical-top methane molecule. Recent high-resolution ro-vibrational spectra obtained in cold ion trap experiments [2] show that the observed CH_5^+ transitions belong to a very well-defined energy level scheme describing the lowest rotational and vibrational states of this enigmatic molecule. Here we analyse the experimental ground state combination differences and associate them with the motional states of CH_5^+ allowed by Fermi-Dirac statistics. A model Hamiltonian for unrestricted internal rotations in CH_5^+ yields a simple analytical expression for the energy eigenvalues, expressed in terms of new quantum numbers describing the free internal rotation. These results are compared to the experimental combination differences and the validity of the model will be discussed together with the underlying assumptions. [1] O. Asvany, P. Kumar, I. Hegemann, B. Redlich, S. Schlemmer and D. Marx, Science 309, (2005) 1219-1222 [2] O. Asvany, K.M.T. Yamada, S. Brünken, A. Potapov, S. Schlemmer, Science 347 (2015) 1346-1349

Independent evolution of functionally exchangeable mitochondrial outer membrane import complexes

PubMed Central

Dimmer, Kai S

2018-01-01

Assembly and/or insertion of a subset of mitochondrial outer membrane (MOM) proteins, including subunits of the main MOM translocase, require the fungi-specific Mim1/Mim2 complex. So far it was unclear which proteins accomplish this task in other eukaryotes. Here, we show by reciprocal complementation that the MOM protein pATOM36 of trypanosomes is a functional analogue of yeast Mim1/Mim2 complex, even though these proteins show neither sequence nor topological similarity. Expression of pATOM36 rescues almost all growth, mitochondrial biogenesis, and morphology defects in yeast cells lacking Mim1 and/or Mim2. Conversely, co-expression of Mim1 and Mim2 restores the assembly and/or insertion defects of MOM proteins in trypanosomes ablated for pATOM36. Mim1/Mim2 and pATOM36 form native-like complexes when heterologously expressed, indicating that additional proteins are not part of these structures. Our findings indicate that Mim1/Mim2 and pATOM36 are the products of convergent evolution and arose only after the ancestors of fungi and trypanosomatids diverged. PMID:29923829

Evaluating excited state atomic polarizabilities of chromophores† †Electronic supplementary information (ESI) available: Basis set dependence, definition of bond charges, Romberg differentiation, python script to calculate atomic polarizabilities, influence of the cavity radius, atomic polarizabilities of coumarin 153, all tables in atomic units. See DOI: 10.1039/c7cp08549d

PubMed Central

Heid, Esther

2018-01-01

Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated using time-dependent density functional theory (TD-DFT). A method for determining the atomic polarizabilities has been developed; the molecular dipole has been decomposed into atomic charge transfer and polarizability terms, and variation in the presence of an electric field has been used to evaluate atomic polarizabilities. On excitation, MQ undergoes very site-specific changes in polarizability while C153 shows significantly less variation. We also conclude that MQ cannot be adequately described by standard atomic polarizabilities based on atomic number and hybridization state. Changes in the molecular polarizability of MQ (on excitation) are not representative of the local site-specific changes in atomic polarizability, thus the overall molecular polarizability ratio does not provide a good approximation for local atom-specific polarizability changes on excitation. Accurate excited state force fields are needed for computer simulation of solvation dynamics. The chromophores considered in this study are often used as molecular probes. The methods and data reported here can be used for the construction of polarizable ground and excited state force fields. Atomic and molecular polarizabilities (ground and excited states) have been evaluated over a range of functionals and basis sets. Different mechanisms for including solvation effects have been examined; using a polarizable continuum model, explicit solvation and via sampling of clusters extracted from a MD simulation. A range of different solvents have also been considered. PMID:29542743

Radiative processes of uniformly accelerated entangled atoms

NASA Astrophysics Data System (ADS)

Menezes, G.; Svaiter, N. F.

2016-05-01

We study radiative processes of uniformly accelerated entangled atoms, interacting with an electromagnetic field prepared in the Minkowski vacuum state. We discuss the structure of the rate of variation of the atomic energy for two atoms traveling in different hyperbolic world lines. We identify the contributions of vacuum fluctuations and radiation reaction to the generation of entanglement as well as to the decay of entangled states. Our results resemble the situation in which two inertial atoms are coupled individually to two spatially separated cavities at different temperatures. In addition, for equal accelerations we obtain that one of the maximally entangled antisymmetric Bell state is a decoherence-free state.

Trapping cold ground state argon atoms.

PubMed

Edmunds, P D; Barker, P F

2014-10-31

We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39)  C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10)  cm(3) s(-1).

Resilience among Japanese atomic bomb survivors.

PubMed

Knowles, A

2011-03-01

The purpose of the study was to explore the experience of atomic bomb survivors from Hiroshima and Nagasaki. Never has the world experienced such extreme devastation as with the atomic bombings of Hiroshima and Nagasaki, Japan, in August 1945. Although significant quantitative research has been completed about the medical effects following radiation, the literature lacks qualitative exploration from a holistic health perspective. This was a qualitative descriptive study, using methods of narrative analysis, oral history and ethnography. The sample for this research included eight individuals who were exposed to the atomic bombings in Japan and currently reside in the United States. Findings provide insight to the resilience that the survivors exhibited immediately following the bomb, as well as throughout the 65 years following the event. From ethnographic data and interviews with survivors, a thematic structure was developed that depicts the essential elements of the atomic bomb experience. Two ways of being in the world followed the bombing: surviving and thriving, with resilience serving as a lever, allowing for fluid movement over time across the continuum. Individuals experiencing surviving exhibited anxiety about their personal and family members' health, expressed mistrust, and felt a stigma associated with being a survivor. For those who were thriving, peace activism, overcoming and forgiveness were typically displayed. Findings from this study add to the disaster nursing literature and highlight the role resilience plays in the atomic bomb survivors' life perspective. © 2011 The Author. International Nursing Review © 2011 International Council of Nurses.

Experimental studies of Cl-atom reactions at high temperatures: Cl + H{sub 2} {yields} HCl + H from 291 to 1283 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adusei, G.Y.; Fontijn, A.

1994-12-31

A method is presented for producing Cl atoms for kinetic experiments above 750 K. Combined with a low temperature Cl-atom production technique, rate coefficients for the title reaction have been obtained over a wide temperature range. The Cl atoms were generated by flash photolysis of CCl{sub 4} for the low-temperature measurements and by pulsed laser photolysis of NaCl for the high-temperature measurements. The relative Cl-atom concentrations were monitored by time-resolved resonance fluorescence. The data are well fitted by the expression k{sub 1}(291--1,283 K) = 4.4 {times} 10{sup {minus}11} exp({minus}2568 K/T) cm{sup 3}/molecule, with 2{sigma} precision limits of {+-} 9 {+-}16more » %, depending on temperature, and corresponding 2{sigma} accuracy limits of about {+-} 26 %. There is good agreement between the rate coefficients measured here and those from previous low-temperature studies, leading to the recommendation k{sub 1}(200--1,283 K) = 2.3 {times} 10{sup {minus}16} (T/K){sup 1.63} exp({minus}1592 K/T) cm{sup 3}/molecule s, with a suggested 2{sigma} accuracy limit of {+-}28% for the combined data. A transition state theory calculation base don a semiempirical London-Eyring-Polanyi-Sato (LEPS) potential energy surface gives excellent agreement with the combined experimental results. Extension of their previous recommendation for the reverse reaction to lower temperatures leads to k{sub 2}(200--1,200 K) = 6.6 {times} 10{sup {minus}16} (T/K){sup 1.44} exp({minus}1241 K/T) cm{sup 3}/molecule s, with 2{sigma} accuracy limits within {+-}25 %. There is excellent agreement between the present data and the predicted expression from that reaction and equilibrium data.« less

Cooperative single-photon subradiant states in a three-dimensional atomic array

NASA Astrophysics Data System (ADS)

Jen, H. H.

2016-11-01

We propose a complete superradiant and subradiant states that can be manipulated and prepared in a three-dimensional atomic array. These subradiant states can be realized by absorbing a single photon and imprinting the spatially-dependent phases on the atomic system. We find that the collective decay rates and associated cooperative Lamb shifts are highly dependent on the phases we manage to imprint, and the subradiant state of long lifetime can be found for various lattice spacings and atom numbers. We also investigate both optically thin and thick atomic arrays, which can serve for systematic studies of super- and sub-radiance. Our proposal offers an alternative scheme for quantum memory of light in a three-dimensional array of two-level atoms, which is applicable and potentially advantageous in quantum information processing.

Remote preparation of an atomic quantum memory.

PubMed

Rosenfeld, Wenjamin; Berner, Stefan; Volz, Jürgen; Weber, Markus; Weinfurter, Harald

2007-02-02

Storage and distribution of quantum information are key elements of quantum information processing and future quantum communication networks. Here, using atom-photon entanglement as the main physical resource, we experimentally demonstrate the preparation of a distant atomic quantum memory. Applying a quantum teleportation protocol on a locally prepared state of a photonic qubit, we realized this so-called remote state preparation on a single, optically trapped 87Rb atom. We evaluated the performance of this scheme by the full tomography of the prepared atomic state, reaching an average fidelity of 82%.

Siegert-state expansion for nonstationary systems. IV. Three-dimensional case

NASA Astrophysics Data System (ADS)

Tolstikhin, Oleg I.

2008-03-01

The Siegert-state expansion approach [O. I. Tolstikhin, Phys. Rev. A 73, 062705 (2006)] is extended to the three-dimensional case. Coupled equations defining the time evolution of coefficients in the expansion of the solution to the time-dependent Schrödinger equation in terms of partial-wave Siegert states are derived, and physical observables (probabilities of transitions to discrete states and the momentum distribution of ejected particles) are expressed in terms of these coefficients. The approach is implemented in terms of Siegert pseudostates and illustrated by calculations of the photodetachment of H- by strong high-frequency laser pulses. The present calculations demonstrate that the interference effect in the laser-atom interaction dynamics found recently in the one-dimensional case [K. Toyota , Phys. Rev. A 76, 043418 (2007)] reveals itself in the three-dimensional case as well.

Binding of a small molecule water channel inhibitor to aquaporin Z examined by solid-state MAS NMR.

PubMed

Phillips, Margaret; To, Janet; Yamazaki, Toshio; Nagashima, Toshio; Torres, Jaume; Pervushin, Konstantin

2018-06-18

Aquaporins are integral membrane proteins that facilitate water flow across biological membranes. Their involvement in multiple physiological functions and disease states has prompted intense research to discover water channel activity modulators. However, inhibitors found so far are weak and/or lack specificity. For organic compounds, which lack of high electron-dense atoms, the identification of binding sites is even more difficult. Nuclear magnetic resonance spectroscopy (NMR) requires large amounts of the protein, and expression and purification of mammalian aquaporins in large quantities is a difficult task. However, since aquaporin Z (AqpZ) can be purified and expressed in good quantities and has a high similarity to human AQP1 (~ 40% identity), it can be used as a model for studying the structure and function of human aquaporins. In the present study, we have used solid-state MAS NMR to investigate the binding of a lead compound [1-(4-methylphenyl)1H-pyrrole-2,5-dione] to AqpZ, through mapping of chemical shift perturbations in the presence of the compound.

Isotropically sensitive optical filter employing atomic resonance transitions

DOEpatents

Marling, John B.

1981-01-01

An ultra-high Q isotropically sensitive optical filter or optical detector employing atomic resonance transitions. More specifically, atomic resonance transitions utilized in conjunction with two optical bandpass filters provide an optical detector having a wide field of view (.about.2.pi. steradians) and very narrow acceptance bandwidth approaching 0.01 A. A light signal to be detected is transmitted through an outer bandpass filter into a resonantly absorbing atomic vapor, the excited atomic vapor then providing a fluorescence signal at a different wavelength which is transmitted through an inner bandpass filter. The outer and inner bandpass filters have no common transmission band, thereby resulting in complete blockage of all optical signals that are not resonantly shifted in wavelength by the intervening atomic vapor. Two embodiments are disclosed, one in which the light signal raises atoms contained in the atomic vapor from the ground state to an excited state from which fluorescence occurs, and the other in which a pump laser is used to raise the atoms in the ground state to a first excited state from which the light signal then is resonantly absorbed, thereby raising the atoms to a second excited state from which fluorescence occurs. A specific application is described in which an optical detector according to the present invention can be used as an underwater detector for light from an optical transmitter which could be located in an orbiting satellite.

Theoretical derivation of laser-dressed atomic states by using a fractal space

NASA Astrophysics Data System (ADS)

Duchateau, Guillaume

2018-05-01

The derivation of approximate wave functions for an electron submitted to both a Coulomb and a time-dependent laser electric fields, the so-called Coulomb-Volkov (CV) state, is addressed. Despite its derivation for continuum states does not exhibit any particular problem within the framework of the standard theory of quantum mechanics (QM), difficulties arise when considering an initially bound atomic state. Indeed the natural way of translating the unperturbed momentum by the laser vector potential is no longer possible since a bound state does not exhibit a plane wave form explicitly including a momentum. The use of a fractal space permits to naturally define a momentum for a bound wave function. Within this framework, it is shown how the derivation of laser-dressed bound states can be performed. Based on a generalized eikonal approach, a new expression for the laser-dressed states is also derived, fully symmetric relative to the continuum or bound nature of the initial unperturbed wave function. It includes an additional crossed term in the Volkov phase which was not obtained within the standard theory of quantum mechanics. The derivations within this fractal framework have highlighted other possible ways to derive approximate laser-dressed states in QM. After comparing the various obtained wave functions, an application to the prediction of the ionization probability of hydrogen targets by attosecond XUV pulses within the sudden approximation is provided. This approach allows to make predictions in various regimes depending on the laser intensity, going from the non-resonant multiphoton absorption to tunneling and barrier-suppression ionization.

Coherent and incoherent dipole-dipole interactions between atoms

NASA Astrophysics Data System (ADS)

Robicheaux, Francis

2016-05-01

Results will be presented on the collective interaction between atoms due to the electric dipole-dipole coupling between states of different parity on two different atoms. A canonical example of this effect is when the electronic state of one atom has S-character and the state of another atom has P-character. The energy difference between the two states plays an important role in the interaction since the change in energy determines the wave number of a photon that would cause a transition between the states. If the atoms are much closer than the wave length of this photon, then the dipole-dipole interaction is in the near field and has a 1 /r3 dependence on atomic separation. If the atoms are farther apart than the wave length, then the interaction is in the far field and has a 1 / r dependence. When many atoms interact, collective effects can dominate the system with the character of the collective effect depending on whether the atomic separation leads to near field or far field coupling. As an example of the case where the atoms are in the far field, the line broadening of transitions and strong deviations from the Beer-Lambert law in a diffuse gas will be presented. As an example of near field collective behavior, the radiative properties of a Rydberg gas will be presented. Based upon work supported by the National Science Foundation under Grant No. 1404419-PHY in collaboration with R.T. Sutherland.

Interpretation of ES, CS, and IOS approximations within a translational-internal coupling scheme. II. Application to atom--diatom kinetic cross sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coombe, D.A.; Snider, R.F.

1980-02-15

ES, CS, and IOS approximations to atom--diatom kinetic cross sections are derived. In doing so, reduced S-matrices in a translational-internal coupling scheme are stressed. This entails the insertion of recently obtained approximate reduced S-matrices in the translational-internal coupling scheme into previously derived general expressions for the kinetic cross sections. Of special interest is the structure (rotational j quantum number dependence) of the kinetic cross sections associated with the Senftleben Beenakker effects and of pure internal state relaxation phenomena. The viscomagnetic effect is used as an illustrative example. It is found in particular that there is a great similarity of structuremore » between the energy sudden (and IOS) approximation and the previously derived distorted wave Born results.« less

Multipole expansions and Fock symmetry of the hydrogen atom

NASA Astrophysics Data System (ADS)

Meremianin, A. V.; Rost, J.-M.

2006-10-01

The main difficulty in utilizing the O(4) symmetry of the hydrogen atom in practical calculations is the dependence of the Fock stereographic projection on energy. This is due to the fact that the wavefunctions of the states with different energies are proportional to the hyperspherical harmonics (HSH) corresponding to different points on the hypersphere. Thus, the calculation of the matrix elements reduces to the problem of re-expanding HSH in terms of HSH depending on different points on the hypersphere. We solve this problem by applying the technique of multipole expansions for four-dimensional HSH. As a result, we obtain the multipole expansions whose coefficients are the matrix elements of the boost operator taken between hydrogen wavefunctions (i.e., hydrogen form factors). The explicit expressions for those coefficients are derived. It is shown that the hydrogen matrix elements can be presented as derivatives of an elementary function. Such an operator representation is convenient for the derivation of recurrence relations connecting matrix elements between states corresponding to different values of the quantum numbers n and l.

Cavity-coupled double-quantum dot at finite bias: Analogy with lasers and beyond

NASA Astrophysics Data System (ADS)

Kulkarni, Manas; Cotlet, Ovidiu; Türeci, Hakan E.

2014-09-01

We present a theoretical and experimental study of photonic and electronic transport properties of a voltage biased InAs semiconductor double quantum dot (DQD) that is dipole coupled to a superconducting transmission line resonator. We obtain the master equation for the reduced density matrix of the coupled system of cavity photons and DQD electrons accounting systematically for both the presence of phonons and the effect of leads at finite voltage bias. We subsequently derive analytical expressions for transmission, phase response, photon number, and the nonequilibrium steady-state electron current. We show that the coupled system under finite bias realizes an unconventional version of a single-atom laser and analyze the spectrum and the statistics of the photon flux leaving the cavity. In the transmission mode, the system behaves as a saturable single-atom amplifier for the incoming photon flux. Finally, we show that the back action of the photon emission on the steady-state current can be substantial. Our analytical results are compared to exact master equation results establishing regimes of validity of various analytical models. We compare our findings to available experimental measurements.

Retention modeling for ultra-thin density of Cu-based conductive bridge random access memory (CBRAM)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aga, Fekadu Gochole; Woo, Jiyong; Lee, Sangheon

We investigate the effect of Cu concentration On-state resistance retention characteristics of W/Cu/Ti/HfO{sub 2}/Pt memory cell. The development of RRAM device for application depends on the understanding of the failure mechanism and the key parameters for device optimization. In this study, we develop analytical expression for cations (Cu{sup +}) diffusion model using Gaussian distribution for detailed analysis of data retention time at high temperature. It is found that the improvement of data retention time depends not only on the conductive filament (CF) size but also on Cu atoms concentration density in the CF. Based on the simulation result, better datamore » retention time is observed for electron wave function associated with Cu{sup +} overlap and an extended state formation. This can be verified by analytical calculation of Cu atom defects inside the filament, based on Cu{sup +} diffusion model. The importance of Cu diffusion for the device reliability and the corresponding local temperature of the filament were analyzed by COMSOL Multiphysics simulation.« less

Teleportation with insurance of an entangled atomic state via cavity decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chimczak, Grzegorz; Tanas, Ryszard; Miranowicz, Adam

2005-03-01

We propose a scheme to teleport an entangled state of two {lambda}-type three-level atoms via photons. The teleportation protocol involves the local redundant encoding protecting the initial entangled state and allowing for repeating the detection until quantum information transfer is successful. We also show how to manipulate a state of many {lambda}-type atoms trapped in a cavity.

Entanglement dynamics and decoherence of an atom coupled to a dissipative cavity field

NASA Astrophysics Data System (ADS)

Akhtarshenas, S. J.; Khezrian, M.

2010-04-01

In this paper, we investigate the entanglement dynamics and decoherence in the interacting system of a strongly driven two-level atom and a single mode vacuum field in the presence of dissipation for the cavity field. Starting with an initial product state with the atom in a general pure state and the field in a vacuum state, we show that the final density matrix is supported on {mathbb C}^2⊗{mathbb C}^2 space, and therefore, the concurrence can be used as a measure of entanglement between the atom and the field. The influences of the cavity decay on the quantum entanglement of the system are also discussed. We also examine the Bell-CHSH violation between the atom and the field and show that there are entangled states for which the Bell-BCSH inequality is not violated. Using the above system as a quantum channel, we also investigate the quantum teleportation of a generic qubit state and also a two-qubit entangled state, and show that in both cases the atom-field entangled state can be useful to teleport an unknown state with fidelity better than any classical channel.

Enhanced Spin Squeezing in Atomic Ensembles via Control of the Internal Spin States

NASA Astrophysics Data System (ADS)

Shojaee, Ezad; Norris, Leigh; Baragiola, Ben; Montano, Enrique; Hemmer, Daniel; Jessen, Poul; Deutsch, Ivan

2015-05-01

Abstract: We study the process by which the collective spin squeezing of an ensemble of Cesium atoms is enhanced by control of the internal spin state of the atoms. By increasing the initial atomic projection noise, one can enhance the Faraday interaction that entangles the atoms with a probe. The light acts as a quantum bus for creating atom-atom entanglement via measurement backaction. Further control can be used to transfer this entanglement to metrologically useful squeezing. We numerically simulate this protocol by a stochastic master equation, including QND measurement and optical pumping, which accounts for decoherence and transfer of coherences between magnetic sub-levels. We study the tradeoff between the enhanced entangling interaction and increased rates of decoherence for different initial state preparations. Under realistic conditions, we find that we can achieve squeezing with a ``CAT-State'' superpostion |F = 4, Mz = 4> + |F, Mz = -4> of ~ 9.9 dB and for the spin coherent state |F = 4, Mx = 4> of ~ 7.5 dB. The increased entanglement enabled by the CAT state preparation is partially, but not completely reduced by the increased fragility to decoherence. National Science Foundation.

Automated extraction of single H atoms with STM: tip state dependency

NASA Astrophysics Data System (ADS)

Møller, Morten; Jarvis, Samuel P.; Guérinet, Laurent; Sharp, Peter; Woolley, Richard; Rahe, Philipp; Moriarty, Philip

2017-02-01

The atomistic structure of the tip apex plays a crucial role in performing reliable atomic-scale surface and adsorbate manipulation using scanning probe techniques. We have developed an automated extraction routine for controlled removal of single hydrogen atoms from the H:Si(100) surface. The set of atomic extraction protocols detect a variety of desorption events during scanning tunneling microscope (STM)-induced modification of the hydrogen-passivated surface. The influence of the tip state on the probability for hydrogen removal was examined by comparing the desorption efficiency for various classifications of STM topographs (rows, dimers, atoms, etc). We find that dimer-row-resolving tip apices extract hydrogen atoms most readily and reliably (and with least spurious desorption), while tip states which provide atomic resolution counter-intuitively have a lower probability for single H atom removal.

Sensing Atomic Motion from the Zero Point to Room Temperature with Ultrafast Atom Interferometry.

PubMed

Johnson, K G; Neyenhuis, B; Mizrahi, J; Wong-Campos, J D; Monroe, C

2015-11-20

We sense the motion of a trapped atomic ion using a sequence of state-dependent ultrafast momentum kicks. We use this atom interferometer to characterize a nearly pure quantum state with n=1 phonon and accurately measure thermal states ranging from near the zero-point energy to n[over ¯]~10^{4}, with the possibility of extending at least 100 times higher in energy. The complete energy range of this method spans from the ground state to far outside of the Lamb-Dicke regime, where atomic motion is greater than the optical wavelength. Apart from thermometry, these interferometric techniques are useful for characterizing ultrafast entangling gates between multiple trapped ions.

The Population Inversion and the Entropy of a Moving Two-Level Atom in Interaction with a Quantized Field

NASA Astrophysics Data System (ADS)

Abo-Kahla, D. A. M.; Abdel-Aty, M.; Farouk, A.

2018-05-01

An atom with only two energy eigenvalues is described by a two-dimensional state space spanned by the two energy eigenstates is called a two-level atom. We consider the interaction between a two-level atom system with a constant velocity. An analytic solution of the systems which interacts with a quantized field is provided. Furthermore, the significant effect of the temperature on the atomic inversion, the purity and the information entropy are discussed in case of the initial state either an exited state or a maximally mixed state. Additionally, the effect of the half wavelengths number of the field-mode is investigated.

Entanglement of two individual neutral atoms using Rydberg blockade.

PubMed

Wilk, T; Gaëtan, A; Evellin, C; Wolters, J; Miroshnychenko, Y; Grangier, P; Browaeys, A

2010-01-08

We report the generation of entanglement between two individual 87Rb atoms in hyperfine ground states |F=1,M=1> and |F=2,M=2> which are held in two optical tweezers separated by 4 microm. Our scheme relies on the Rydberg blockade effect which prevents the simultaneous excitation of the two atoms to a Rydberg state. The entangled state is generated in about 200 ns using pulsed two-photon excitation. We quantify the entanglement by applying global Raman rotations on both atoms. We measure that 61% of the initial pairs of atoms are still present at the end of the entangling sequence. These pairs are in the target entangled state with a fidelity of 0.75.

Stimulated transitions in resonant atom Majorana mixing

NASA Astrophysics Data System (ADS)

Bernabéu, José; Segarra, Alejandro

2018-02-01

Massive neutrinos demand to ask whether they are Dirac or Majorana particles. Majorana neutrinos are an irrefutable proof of physics beyond the Standard Model. Neutrinoless double electron capture is not a process but a virtual Δ L = 2 mixing between a parent A Z atom and a daughter A ( Z - 2) excited atom with two electron holes. As a mixing between two neutral atoms and the observable signal in terms of emitted two-hole X-rays, the strategy, experimental signature and background are different from neutrinoless double beta decay. The mixing is resonantly enhanced for almost degeneracy and, under these conditions, there is no irreducible background from the standard two-neutrino channel. We reconstruct the natural time history of a nominally stable parent atom since its production either by nature or in the laboratory. After the time periods of atom oscillations and the decay of the short-lived daughter atom, at observable times the relevant "stationary" states are the mixed metastable long-lived state and the non-orthogonal short-lived excited state, as well as the ground state of the daughter atom. We find that they have a natural population inversion which is most appropriate for exploiting the bosonic nature of the observed atomic transitions radiation. Among different observables of the atom Majorana mixing, we include the enhanced rate of stimulated X-ray emission from the long-lived metastable state by a high-intensity X-ray beam: a gain factor of 100 can be envisaged at current XFEL facilities. On the other hand, the historical population of the daughter atom ground state can be probed by exciting it with a current pulsed optical laser, showing the characteristic absorption lines: the whole population can be excited in a shorter time than typical pulse duration.

Simulating superradiance from higher-order-intensity-correlation measurements: Single atoms

NASA Astrophysics Data System (ADS)

Wiegner, R.; Oppel, S.; Bhatti, D.; von Zanthier, J.; Agarwal, G. S.

2015-09-01

Superradiance typically requires preparation of atoms in highly entangled multiparticle states, the so-called Dicke states. In this paper we discuss an alternative route where we prepare such states from initially uncorrelated atoms by a measurement process. By measuring higher-order intensity-intensity correlations we demonstrate that we can simulate the emission characteristics of Dicke superradiance by starting with atoms in the fully excited state. We describe the essence of the scheme by first investigating two excited atoms. Here we demonstrate how via Hanbury Brown and Twiss type of measurements we can produce Dicke superradiance and subradiance displayed commonly with two atoms in the single excited symmetric and antisymmetric Dicke states, respectively. We thereafter generalize the scheme to arbitrary numbers of atoms and detectors, and explain in detail the mechanism which leads to this result. The approach shows that the Hanbury Brown and Twiss type of intensity interference and the phenomenon of Dicke superradiance can be regarded as two sides of the same coin. We also present a compact result for the characteristic functional which generates all order intensity-intensity correlations.

Rate contants for CF{sub 3} + H{sub 2} {yields} CF{sub 3}H + H and CF{sub 3}H + H {yields} CF{sub 3} + H{sub 2} reactions in the temperature range 1100-1600 K.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hranisavljevic, J.; Michael, V.; Chemistry

1998-09-24

The shock tube technique coupled with H-atom atomic resonance absorption spectrometry has been used to study the reactions (1) CF{sub 3} + H{sub 2} {yields} CF{sub 3}H + H and (2) CF{sub 3}H + H{yields} CF{sub 3} + H{sub 2} over the temperature ranges 1168-1673 K and 1111-1550 K, respectively. The results can be represented by the Arrhenius expressions k1 = 2.56 x 10{sup -11} exp(-8549K/T) and k2 = 6.13 x 10{sup -11} exp(-7364K/T), both in cm3 molecule-1 s-1. Equilibrium constants were calculated from the two Arrhenius expressions in the overlapping temperature range, and good agreement was obtained with themore » literature values. The rate constants for reaction 2 were converted into rate constants for reaction 1 using literature equilibrium constants. These data are indistinguishable from direct k1 measurements, and an Arrhenius fit for the joint set is k{sub 1} = 1.88 x 10{sup -11} exp(-8185K/T) cm3 molecule-1 s-1. The CF{sub 3} + H{sub 2} {yields} CF{sub 3}H + H reaction was further modeled using conventional transition-state theory, which included ab initio electronic structure determinations of reactants, transition state, and products.« less

Heterologous expression of 2-methylisoborneol / 2 methylenebornane biosynthesis genes in Escherichia coli yields novel C11-terpenes

PubMed Central

Wortmann, Hannah; Dickschat, Jeroen S.; Schrader, Jens

2018-01-01

The structural diversity of terpenoids is limited by the isoprene rule which states that all primary terpene synthase products derive from methyl-branched building blocks with five carbon atoms. With this study we discover a broad spectrum of novel terpenoids with eleven carbon atoms as byproducts of bacterial 2-methylisoborneol or 2-methylenebornane synthases. Both enzymes use 2-methyl-GPP as substrate, which is synthesized from GPP by the action of a methyltransferase. We used E. coli strains that heterologously produce different C11-terpene synthases together with the GPP methyltransferase and the mevalonate pathway enzymes. With this de novo approach, 35 different C11-terpenes could be produced. In addition to eleven known compounds, it was possible to detect 24 novel C11-terpenes which have not yet been described as terpene synthase products. Four of them, 3,4-dimethylcumene, 2-methylborneol and the two diastereomers of 2-methylcitronellol could be identified. Furthermore, we showed that an E. coli strain expressing the GPP-methyltransferase can produce the C16-terpene 6-methylfarnesol which indicates the condensation of 2-methyl-GPP and IPP to 6-methyl-FPP by the E. coli FPP-synthase. Our study demonstrates the broad range of unusual terpenes accessible by expression of GPP-methyltransferases and C11-terpene synthases in E. coli and provides an extended mechanism for C11-terpene synthases. PMID:29672609

Phononic heat transport in nanomechanical structures: steady-state and pumping

NASA Astrophysics Data System (ADS)

Sena-Junior, Marcone I.; Lima, Leandro R. F.; Lewenkopf, Caio H.

2017-10-01

We study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green’s functions. This representation accounts for the atomic degrees of freedom making it particularly suited for the description of small (molecular) junctions systems. We rigorously show that for the steady state limit our formalism correctly recovers the heuristic Landauer-like heat conductance for a quantum coherent molecular system coupled to thermal reservoirs. We find general expressions for the non-stationary heat current due to an external periodic drive. In both cases we discuss the quantum thermodynamic properties of the systems. We apply our formalism to the case of a diatomic molecular junction.

Thermal Relaxation of Adsorbed Atoms in an Intense Laser Field.

DTIC Science & Technology

1986-07-01

the position of the bond is E(t) = E Re[E exp(- iwLt )] , (2.8) and the coupled levels will be denoted by le> and Ig>. This excited state and ground...With the property P2 = P gg we can expand the exponentials as tiLtP ± iwLt e g W 1 - P + e P , (3.13)g g which allows us to write q(t) = + e P S + e...the dressed states and use the expression (3.14) for q(t), we obtain jA ikt - iWLt iw t qI(t) de k { + e PgS w e SP (4.5) kE where kf = "(4.6) is the

Surface structure of neutron stars with high magnetic fields

NASA Technical Reports Server (NTRS)

Fushiki, I.; Gudmundsson, E. H.; Pethick, C. J.

1989-01-01

The equation of state of cold dense matter in strong magnetic fields is calculated in the Thomas-Fermi and Thomas-Fermi-Dirac approximations. For use in the latter calculation, a new expression is derived for the exchange energy of the uniform electron gas in a strong magnetic field. Detailed calculations of the density profile in the surface region of a neutron star are described for a variety of equations of state, and these show that the surface density profile is strongly affected by the magnetic field, irrespective of whether or not matter in a magnetic field has a condensed state bound with respect to isolated atoms. It is also shown that, as a consequence of the field dependence of the screening potential, magnetic fields can significantly increase nuclear reaction rates.

Evaluating excited state atomic polarizabilities of chromophores.

PubMed

Heid, Esther; Hunt, Patricia A; Schröder, Christian

2018-03-28

Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated using time-dependent density functional theory (TD-DFT). A method for determining the atomic polarizabilities has been developed; the molecular dipole has been decomposed into atomic charge transfer and polarizability terms, and variation in the presence of an electric field has been used to evaluate atomic polarizabilities. On excitation, MQ undergoes very site-specific changes in polarizability while C153 shows significantly less variation. We also conclude that MQ cannot be adequately described by standard atomic polarizabilities based on atomic number and hybridization state. Changes in the molecular polarizability of MQ (on excitation) are not representative of the local site-specific changes in atomic polarizability, thus the overall molecular polarizability ratio does not provide a good approximation for local atom-specific polarizability changes on excitation. Accurate excited state force fields are needed for computer simulation of solvation dynamics. The chromophores considered in this study are often used as molecular probes. The methods and data reported here can be used for the construction of polarizable ground and excited state force fields. Atomic and molecular polarizabilities (ground and excited states) have been evaluated over a range of functionals and basis sets. Different mechanisms for including solvation effects have been examined; using a polarizable continuum model, explicit solvation and via sampling of clusters extracted from a MD simulation. A range of different solvents have also been considered.

Wigner functions for nonclassical states of a collection of two-level atoms

NASA Technical Reports Server (NTRS)

Agarwal, G. S.; Dowling, Jonathan P.; Schleich, Wolfgang P.

1993-01-01

The general theory of atomic angular momentum states is used to derive the Wigner distribution function for atomic angular momentum number states, coherent states, and squeezed states. These Wigner functions W(theta,phi) are represented as a pseudo-probability distribution in spherical coordinates theta and phi on the surface of a sphere of radius the square root of j(j +1) where j is the total angular momentum.

Subpicosecond X rotations of atomic clock states

NASA Astrophysics Data System (ADS)

Song, Yunheung; Lee, Han-gyeol; Kim, Hyosub; Jo, Hanlae; Ahn, Jaewook

2018-05-01

We demonstrate subpicosecond-timescale population transfer between the pair of hyperfine ground states of atomic rubidium using a single laser-pulse. Our scheme utilizes the geometric and dynamic phases induced during Rabi oscillation through the fine-structure excited state to construct an X rotation gate for the hyperfine-state qubit system. The experiment performed with a femtosecond laser and cold rubidium atoms, in a magnetooptical trap, shows over 98% maximal population transfer between the clock states.

Fast adiabatic quantum state transfer and entanglement generation between two atoms via dressed states

PubMed Central

Wu, Jin-Lei; Ji, Xin; Zhang, Shou

2017-01-01

We propose a dressed-state scheme to achieve shortcuts to adiabaticity in atom-cavity quantum electrodynamics for speeding up adiabatic two-atom quantum state transfer and maximum entanglement generation. Compared with stimulated Raman adiabatic passage, the dressed-state scheme greatly shortens the operation time in a non-adiabatic way. By means of some numerical simulations, we determine the parameters which can guarantee the feasibility and efficiency both in theory and experiment. Besides, numerical simulations also show the scheme is robust against the variations in the parameters, atomic spontaneous emissions and the photon leakages from the cavity. PMID:28397793

Near optimal discrimination of binary coherent signals via atom–light interaction

NASA Astrophysics Data System (ADS)

Han, Rui; Bergou, János A.; Leuchs, Gerd

2018-04-01

We study the discrimination of weak coherent states of light with significant overlaps by nondestructive measurements on the light states through measuring atomic states that are entangled to the coherent states via dipole coupling. In this way, the problem of measuring and discriminating coherent light states is shifted to finding the appropriate atom–light interaction and atomic measurements. We show that this scheme allows us to attain a probability of error extremely close to the Helstrom bound, the ultimate quantum limit for discriminating binary quantum states, through the simple Jaynes–Cummings interaction between the field and ancilla with optimized light–atom coupling and projective measurements on the atomic states. Moreover, since the measurement is nondestructive on the light state, information that is not detected by one measurement can be extracted from the post-measurement light states through subsequent measurements.

Optical-bistability-enabled control of resonant light transmission for an atom-cavity system

NASA Astrophysics Data System (ADS)

Sawant, Rahul; Rangwala, S. A.

2016-02-01

The control of light transmission through a standing-wave Fabry-Pérot cavity containing atoms is theoretically and numerically investigated, when the cavity mode beam and an intersecting control beam are both close to specific atomic resonances. A four-level atomic system is considered and its interaction with the cavity mode is studied by solving for the cavity field and atomic state populations. The conditions for optical bistability of the atom-cavity system are obtained. The response of the intracavity intensity to an intersecting beam on atomic resonance is understood in the presence of stationary atoms (closed system) and nonstatic atoms (open system) in the cavity. The nonstatic system of atoms is modelled by adjusting the atomic state populations to represent the exchange of atoms in the cavity mode, which corresponds to a thermal environment where atoms are moving in and out of the cavity mode volume. The control behavior with three- and two-level atomic systems is also studied, and the rich physics arising out of these systems for closed and open atomic systems is discussed. The solutions to the models are used to interpret the steady-state and transient behavior observed by Sharma et al. [Phys. Rev. A 91, 043824 (2015)], 10.1103/PhysRevA.91.043824.

A kilobyte rewritable atomic memory

NASA Astrophysics Data System (ADS)

Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E.; Girovsky, J.; Toskovic, R.; Lado, J. L.; Fernández-Rossier, J.; Otte, A. F.

2016-11-01

The advent of devices based on single dopants, such as the single-atom transistor, the single-spin magnetometer and the single-atom memory, has motivated the quest for strategies that permit the control of matter with atomic precision. Manipulation of individual atoms by low-temperature scanning tunnelling microscopy provides ways to store data in atoms, encoded either into their charge state, magnetization state or lattice position. A clear challenge now is the controlled integration of these individual functional atoms into extended, scalable atomic circuits. Here, we present a robust digital atomic-scale memory of up to 1 kilobyte (8,000 bits) using an array of individual surface vacancies in a chlorine-terminated Cu(100) surface. The memory can be read and rewritten automatically by means of atomic-scale markers and offers an areal density of 502 terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude. Furthermore, the chlorine vacancies are found to be stable at temperatures up to 77 K, offering the potential for expanding large-scale atomic assembly towards ambient conditions.

Expanded Definition of the Oxidation State

ERIC Educational Resources Information Center

Loock, Hans-Peter

2011-01-01

A proposal to define the oxidation state of an atom in a compound as the hypothetical charge of the corresponding atomic ion that is obtained by heterolytically cleaving its bonds such that the atom with the higher electronegativity in a bond is allocated all electrons in the bond. Bonds between like atoms are cleaved homolytically. This…

Heralded entanglement of two remote atoms

NASA Astrophysics Data System (ADS)

Krug, Michael; Hofmann, Julian; Ortegel, Norbert; Gerard, Lea; Redeker, Kai; Henkel, Florian; Rosenfeld, Wenjamin; Weber, Markus; Weinfurter, Harald

2012-06-01

Entanglement between atomic quantum memories at remote locations will be a key resource for future applications in quantum communication. One possibility to generate such entanglement over large distances is entanglement swapping starting from two quantum memories each entangled with a photon. The photons can be transported to a Bell-state measurement where after the atomic quantum memories are projected onto an entangled state. We have set up two independently operated single atom experiments separated by 20 m. Via a spontaneous decay process each quantum memory, in our case a single Rb-87 atom, emits a single photon whose polarization is entangled with the atomic spin. The photons one emitted from each atom are collected into single-mode optical fibers guided to a non-polarizing 50-50 beam-splitter and detected by avalanche photodetectors. Bunching of indistinguishable photons allows to perform a Bell-state measurement on the photons. Conditioned on the registration of particular two-photon coincidences the spin states of both atoms are measured. The observed correlations clearly prove the entanglement of the two atoms. This is a first step towards creating a basic node of a quantum network as well as a key prerequisite for a future loophole-free test of Bell's inequality.

Experimental protocol for high-fidelity heralded photon-to-atom quantum state transfer.

PubMed

Kurz, Christoph; Schug, Michael; Eich, Pascal; Huwer, Jan; Müller, Philipp; Eschner, Jürgen

2014-11-21

A quantum network combines the benefits of quantum systems regarding secure information transmission and calculational speed-up by employing quantum coherence and entanglement to store, transmit and process information. A promising platform for implementing such a network are atom-based quantum memories and processors, interconnected by photonic quantum channels. A crucial building block in this scenario is the conversion of quantum states between single photons and single atoms through controlled emission and absorption. Here we present an experimental protocol for photon-to-atom quantum state conversion, whereby the polarization state of an absorbed photon is mapped onto the spin state of a single absorbing atom with >95% fidelity, while successful conversion is heralded by a single emitted photon. Heralded high-fidelity conversion without affecting the converted state is a main experimental challenge, in order to make the transferred information reliably available for further operations. We record >80 s(-1) successful state transfer events out of 18,000 s(-1) repetitions.

Programmable solid state atom sources for nanofabrication.

PubMed

Han, Han; Imboden, Matthias; Stark, Thomas; del Corro, Pablo G; Pardo, Flavio; Bolle, Cristian A; Lally, Richard W; Bishop, David J

2015-06-28

In this paper we discuss the development of a MEMS-based solid state atom source that can provide controllable atom deposition ranging over eight orders of magnitude, from ten atoms per square micron up to hundreds of atomic layers, on a target ∼1 mm away. Using a micron-scale silicon plate as a thermal evaporation source we demonstrate the deposition of indium, silver, gold, copper, iron, aluminum, lead and tin. Because of their small sizes and rapid thermal response times, pulse width modulation techniques are a powerful way to control the atomic flux. Pulsing the source with precise voltages and timing provides control in terms of when and how many atoms get deposited. By arranging many of these devices into an array, one has a multi-material, programmable solid state evaporation source. These micro atom sources are a complementary technology that can enhance the capability of a variety of nano-fabrication techniques.

Hund’s rule in superatoms with transition metal impurities

PubMed Central

Medel, Victor M.; Reveles, Jose Ulises; Khanna, Shiv N.; Chauhan, Vikas; Sen, Prasenjit; Castleman, A. Welford

2011-01-01

The quantum states in metal clusters bunch into supershells with associated orbitals having shapes resembling those in atoms, giving rise to the concept that selected clusters could mimic the characteristics of atoms and be classified as superatoms. Unlike atoms, the superatom orbitals span over multiple atoms and the filling of orbitals does not usually exhibit Hund’s rule seen in atoms. Here, we demonstrate the possibility of enhancing exchange splitting in superatom shells via a composite cluster of a central transition metal and surrounding nearly free electron metal atoms. The transition metal d states hybridize with superatom D states and result in enhanced splitting between the majority and minority sets where the moment and the splitting can be controlled by the nature of the central atom. We demonstrate these findings through studies on TMMgn clusters where TM is a 3d atom. The clusters exhibit Hund’s filling, opening the pathway to superatoms with magnetic shells. PMID:21646542

Hund's rule in superatoms with transition metal impurities.

PubMed

Medel, Victor M; Reveles, Jose Ulises; Khanna, Shiv N; Chauhan, Vikas; Sen, Prasenjit; Castleman, A Welford

2011-06-21

The quantum states in metal clusters bunch into supershells with associated orbitals having shapes resembling those in atoms, giving rise to the concept that selected clusters could mimic the characteristics of atoms and be classified as superatoms. Unlike atoms, the superatom orbitals span over multiple atoms and the filling of orbitals does not usually exhibit Hund's rule seen in atoms. Here, we demonstrate the possibility of enhancing exchange splitting in superatom shells via a composite cluster of a central transition metal and surrounding nearly free electron metal atoms. The transition metal d states hybridize with superatom D states and result in enhanced splitting between the majority and minority sets where the moment and the splitting can be controlled by the nature of the central atom. We demonstrate these findings through studies on TMMg(n) clusters where TM is a 3d atom. The clusters exhibit Hund's filling, opening the pathway to superatoms with magnetic shells.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubetsky, Boris; Libby, Stephen; Berman, Paul

The influence of an external test mass on the phase of the signal of an atom interferometer is studied theoretically. Using traditional techniques in atom optics based on the density matrix equations in the Wigner representation, we are able to extract the various contributions to the phase of the signal associated with the classical motion of the atoms, the quantum correction to this motion resulting from atomic recoil that is produced when the atoms interact with Raman field pulses and quantum corrections to the atomic motion that occur in the time between the Raman field pulses. Thus, by increasing themore » effective wave vector associated with the Raman field pulses using modified field parameters, we can increase the sensitivity of the signal to the point where such quantum corrections can be measured. Furthermore, the expressions that are derived can be evaluated numerically to isolate the contribution to the signal from an external test mass. The regions of validity of the exact and approximate expressions are determined.« less

Theory of long-range interactions for Rydberg states attached to hyperfine-split cores

NASA Astrophysics Data System (ADS)

Robicheaux, F.; Booth, D. W.; Saffman, M.

2018-02-01

The theory is developed for one- and two-atom interactions when the atom has a Rydberg electron attached to a hyperfine-split core state. This situation is relevant for some of the rare-earth and alkaline-earth atoms that have been proposed for experiments on Rydberg-Rydberg interactions. For the rare-earth atoms, the core electrons can have a very substantial total angular momentum J and a nonzero nuclear spin I . In the alkaline-earth atoms there is a single (s ) core electron whose spin can couple to a nonzero nuclear spin for odd isotopes. The resulting hyperfine splitting of the core state can lead to substantial mixing between the Rydberg series attached to different thresholds. Compared to the unperturbed Rydberg series of the alkali-metal atoms, the series perturbations and near degeneracies from the different parity states could lead to qualitatively different behavior for single-atom Rydberg properties (polarizability, Zeeman mixing and splitting, etc.) as well as Rydberg-Rydberg interactions (C5 and C6 matrices).

Adiabatic passage of radio-frequency-assisted Förster resonances in Rydberg atoms for two-qubit gates and the generation of Bell states

NASA Astrophysics Data System (ADS)

Beterov, I. I.; Hamzina, G. N.; Yakshina, E. A.; Tretyakov, D. B.; Entin, V. M.; Ryabtsev, I. I.

2018-03-01

High-fidelity entangled Bell states are of great interest in quantum physics. Entanglement of ultracold neutral atoms in two spatially separated optical dipole traps is promising for implementation of quantum computing and quantum simulation and for investigation of Bell states of material objects. We propose a method to entangle two atoms via long-range Rydberg-Rydberg interaction. Alternative to previous approaches, based on Rydberg blockade, we consider radio-frequency-assisted Stark-tuned Förster resonances in Rb Rydberg atoms. To reduce the sensitivity of the fidelity of Bell states to the fluctuations of interatomic distance, we propose to use the double adiabatic passage across the radio-frequency-assisted Stark-tuned Förster resonances, which results in a deterministic phase shift of the collective two-atom state.

Control of Rydberg atom blockade by dc electric field orientation in a quasi-one-dimensional sample

NASA Astrophysics Data System (ADS)

Goncalves, Luís Felipe; Marcassa, Luis Gustavo

2017-04-01

Rydberg atoms posse a strong atom-atom interaction, which limits its density in an atomic sample. Such effect is known as Rydberg atom blockade. Here, we present a novel way to control such effect by direct orienting the induced atomic dipole moment using a dc external electrical field. To demonstrate it, we excite the 50S1 / 2 Rb atomic state in a quasi-one-dimensional sample held in a quasi-electrostatic trap. A pure nS state holds only van der Waals interaction at long range, but in the presence of an external electric field the state mixing leads to strong dipole-dipole interactions. We have measured the Rydberg atom population as a function of ground state atoms density for several angles between the electric field and the main axis of the unidimensional sample. The results indicate that the limit on the final Rydberg density can be controlled by electric field orientation. Besides, we have characterized the sample by using direct spatial ion imaging, demonstrating that it does behave as an unidimensional sample. This work was supported by Sao Paulo Research Foundation (FAPESP) Grants No. 2011/22309-8 and No. 2013/02816- 8, the U.S. Army Research Office Grant No. W911NF-15-1-0638 and CNPq.

Effect of magnetism and atomic order on static atomic displacements in the Invar alloy Fe-27 at.% Pt

NASA Astrophysics Data System (ADS)

Sax, C. R.; Schönfeld, B.; Ruban, A. V.

2015-08-01

Fe-27 at.% Pt was aged at 1123 K and quenched to room temperature (RT) to set up a state of thermal equilibrium. The local atomic arrangement was studied by diffuse x-ray scattering above (at 427 K) and below (at RT) the Curie temperature as well as at RT under a saturating magnetic field. The separated short-range order scattering remained unchanged for all three states, with maxima at 100 positions. Effective pair interaction parameters determined by the inverse Monte Carlo method gave an order-disorder transition temperature of about 1088 K, close to direct experimental findings. The species-dependent static atomic displacements for the first two shells show large differences, with a strong increase in magnitude from the state at 427 K over RT to the state under saturating magnetic field. This outcome is in agreement with an increase in atomic volume of Fe with increasing local magnetic moment. Electronic-structure calculations closely reproduce the values for the static atomic displacements in the ferromagnetic state, and predict their dependence on the atomic configuration. They also reveal a strong dependence of the magnetic exchange interactions in Fe-Pt on the atomic configuration state and lattice parameter. In particular, the increase of the Curie temperature in a random state relative to that in the ordered one is demonstrated to be related to the corresponding change of the magnetic exchange interactions due to the different local atomic chemical environment. There exists a similar strong concentration dependence of the chemical interactions as in the case of magnetic exchange interactions. Theoretical effective interactions for Fe-27 at.% Pt alloy are in good agreement with experimental results, and they also reproduce well the L1 2-A1 transition temperature.

First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

NASA Astrophysics Data System (ADS)

Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing

2017-05-01

In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008

Spatial EPR entanglement in atomic vapor quantum memory

NASA Astrophysics Data System (ADS)

Parniak, Michal; Dabrowski, Michal; Wasilewski, Wojciech

Spatially-structured quantum states of light are staring to play a key role in modern quantum science with the rapid development of single-photon sensitive cameras. In particular, spatial degree of freedom holds a promise to enhance continous-variable quantum memories. Here we present the first demonstration of spatial entanglement between an atomic spin-wave and a photon measured with an I-sCMOS camera. The system is realized in a warm atomic vapor quantum memory based on rubidium atoms immersed in inert buffer gas. In the experiment we create and characterize a 12-dimensional entangled state exhibiting quantum correlations between a photon and an atomic ensemble in position and momentum bases. This state allows us to demonstrate the Einstein-Podolsky-Rosen paradox in its original version, with an unprecedented delay time of 6 μs between generation of entanglement and detection of the atomic state.

A new approach to entangling neutral atoms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jongmin; Martin, Michael J.; Jau, Yuan-Yu

2016-11-01

Our team has developed a new approach to entangling neutral atoms with a Rydberg-dressed interaction. Entangling neutral atoms is an essential key of quantum technologies such as quantum computation, many-body quantum simulation, and high-precision atomic sensors . The demonstrated Rydberg-dressed protocol involves adiabatically imposing a light shift on the ground state by coupling an excited Rydberg state with a tuned laser field. Using this technique, we have demonstrated a strong and tunable dipole - dipole interaction between two individually trapped atoms with energy shifts of order 1 MHz, which has been challenging to achieve in other protocols . During thismore » program, we experimentally demonstrated Bell-state entanglement and the isomorphism to the Jaynes - Cumming model of a Rydberg-dressed two-atom system. Our theoretical calculations of a CPHASE quantum logic gate and arbitrary Dicke state quantum control in this system encourage further work.« less

Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom.

PubMed

Bischoff, Florian A; Harrison, Robert J; Valeev, Edward F

2012-09-14

We present an approach to compute accurate correlation energies for atoms and molecules using an adaptive discontinuous spectral-element multiresolution representation for the two-electron wave function. Because of the exponential storage complexity of the spectral-element representation with the number of dimensions, a brute-force computation of two-electron (six-dimensional) wave functions with high precision was not practical. To overcome the key storage bottlenecks we utilized (1) a low-rank tensor approximation (specifically, the singular value decomposition) to compress the wave function, and (2) explicitly correlated R12-type terms in the wave function to regularize the Coulomb electron-electron singularities of the Hamiltonian. All operations necessary to solve the Schrödinger equation were expressed so that the reconstruction of the full-rank form of the wave function is never necessary. Numerical performance of the method was highlighted by computing the first-order Møller-Plesset wave function of a helium atom. The computed second-order Møller-Plesset energy is precise to ~2 microhartrees, which is at the precision limit of the existing general atomic-orbital-based approaches. Our approach does not assume special geometric symmetries, hence application to molecules is straightforward.

Dynamics of atom-field entanglement for Tavis-Cummings models

NASA Astrophysics Data System (ADS)

Bashkirov, Eugene K.

2018-04-01

An exact solution of the problem of two-atom one- and two-mode Jaynes-Cummings model with intensity- dependent coupling is presented. Asymptotic solutions for system state vectors are obtained in the approximation of large initial coherent fields. The atom-field entanglement is investigated on the basis of the reduced atomic entropy dynamics. The possibility of the system being initially in a pure disentangled state to revive into this state during the evolution process for both models is shown. Conditions and times of disentanglement are derived.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Investigation of the populations of excited states of barium atoms in a laser plasma

NASA Astrophysics Data System (ADS)

Burimov, V. N.; Zherikhin, A. N.; Popkov, V. L.

1995-02-01

Laser-induced fluorescence was used in an investigation of the populations of the ground and excited (6s5d 3D1 and 3D2) states of Ba atoms in a plasma formed by laser ablation of Y—Ba—Cu—O target. A nonequilibrium velocity distribution of the atoms was detected. At large distances from the target about 4% of the atoms were in an excited state.

Atomizing-gas temperature effect on cryogenic spray dropsize

NASA Technical Reports Server (NTRS)

Ingebo, Robert D.

1993-01-01

Correlating expressions for two-phase flow breakup of liquid nitrogen, LN2, jets in sonic velocity nitrogen gasflows were obtained for an atomizing-gas temperature range of 111 to 442 K. The correlations were based on characteristic dropsize measurements obtained with a scattered-light scanner. The effect of droplet vaporization on the measurements of the volume-median dropsize was calculated by using previously determined heat and momentum transfer expressions for droplets evaporating in high-velocity gasflow. Finally, the dropsize of the originally unvaporized spray was calculated, normalized with respect to jet diameter and correlated with atomizing-gas flowrate and temperature.

77 FR 58591 - Northern States Power Company; Establishment of Atomic Safety and Licensing Board

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-21

...] Northern States Power Company; Establishment of Atomic Safety and Licensing Board Pursuant to delegation by....300, 2.313, 2.318, and 2.321, notice is hereby given that an Atomic Safety and Licensing Board (Board... Commission to E. Roy Hawkens, Chief Administrative Judge, Atomic Safety and Licensing Board Panel (Sept. 13...

An atomic model for neutral and singly ionized uranium

NASA Technical Reports Server (NTRS)

Maceda, E. L.; Miley, G. H.

1979-01-01

A model for the atomic levels above ground state in neutral, U(0), and singly ionized, U(+), uranium is described based on identified atomic transitions. Some 168 states in U(0) and 95 in U(+) are found. A total of 1581 atomic transitions are used to complete this process. Also discussed are the atomic inverse lifetimes and line widths for the radiative transitions as well as the electron collisional cross sections.

Entropy inequality and hydrodynamic limits for the Boltzmann equation.

PubMed

Saint-Raymond, Laure

2013-12-28

Boltzmann brought a fundamental contribution to the understanding of the notion of entropy, by giving a microscopic formulation of the second principle of thermodynamics. His ingenious idea, motivated by the works of his contemporaries on the atomic nature of matter, consists of describing gases as huge systems of identical and indistinguishable elementary particles. The state of a gas can therefore be described in a statistical way. The evolution, which introduces couplings, loses part of the information, which is expressed by the decay of the so-called mathematical entropy (the opposite of physical entropy!).

Hyperfine state entanglement of spinor BEC and scattering atom

NASA Astrophysics Data System (ADS)

Li, Zhibing; Bao, Chengguang; Zheng, Wei

2018-05-01

Condensate of spin-1 atoms frozen in a unique spatial mode may possess large internal degrees of freedom. The scattering amplitudes of polarized cold atoms scattered by the condensate are obtained with the method of fractional parentage coefficients that treats the spin degrees of freedom rigorously. Channels with scattering cross sections enhanced by the square of the atom number of the condensate are found. Entanglement between the condensate and the propagating atom can be established by scattering. Entanglement entropy is analytically obtained for arbitrary initial states. Our results also give a hint for the establishment of quantum thermal ensembles in the hyperfine space of spin states.

Long-range dispersion interactions between Li and rare-gas atoms

NASA Astrophysics Data System (ADS)

Zhang, Deng-Hong; Xu, Ya-Bin; Jiang, Jun; Jiang, Li; Xie, Lu-You; Dong, Chen-Zhong

2017-06-01

The energy levels, oscillator strength and dipole scalar polarizabilities of Li atoms are calculated by using the relativistic semiempirical-core-potential method (RCICP). The dispersion coefficients C6 between ground 2s1/2 2p1/2,2p3/2 states of Li atom and the ground state of rare gas atoms (Ne, Ar, Kr, Xe) are calculated in JJ coupled states, in which the spin-orbital interactions are included. Present results are in good agreement with other available results. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Single-resonance optical pumping spectroscopy and application in dressed-state measurement with atomic vapor cell at room temperature.

PubMed

Liang, Qiangbing; Yang, Baodong; Zhang, Tiancai; Wang, Junmin

2010-06-21

By monitoring the transmission of probe laser beam (also served as coupling laser beam) which is locked to a cycling hyperfine transition of cesium D(2) line, while pumping laser is scanned across cesium D(1) or D(2) lines, the single-resonance optical pumping (SROP) spectra are obtained with atomic vapor cell. The SROP spectra indicate the variation of the zero-velocity atoms population of one hyperfine fold of ground state, which is optically pumped into another hyperfine fold of ground state by pumping laser. With the virtue of Doppler-free linewidth, high signal-to-noise ratio (SNR), flat background and elimination of crossover resonance lines (CRLs), the SROP spectra with atomic vapor cell around room temperature can be employed to measure dressed-state splitting of ground state, which is normally detected with laser-cooled atomic sample only, even if the dressed-state splitting is much smaller than the Doppler-broaden linewidth at room temperature.

On the non-linear spectroscopy including saturated absorption and four-wave mixing in two and multi-level atoms: a computational study

NASA Astrophysics Data System (ADS)

Patel, M.; De Jager, G.; Nkosi, Z.; Wyngaard, A.; Govender, K.

2017-10-01

In this paper we report on the study of two and multi-level atoms interacting with multiple laser beams. The semi-classical approach is used to describe the system in which the atoms are treated quantum mechanically via the density matrix operator, while the laser beams are treated classically using Maxwells equations. We present results of a two level atom interacting with single and multiple laser beams and demonstrate Rabi oscillations between the levels. The effects of laser modulation on the dynamics of the atom (atomic populations and coherences) are examined by solving the optical Bloch equations. Plots of the density matrix elements as a function of time are presented for various parameters such as laser intensity, detuning, modulation etc. In addition, phase-space plots and Fourier analysis of the density matrix elements are provided. The atomic polarization, estimated from the coherence terms of the density matrix elements, is used in the numerical solution of Maxwells equations to determine the behaviour of the laser beams as they propagate through the atomic ensemble. The effects of saturation and hole-burning are demonstrated in the case of two counter propagating beams with one being a strong beam and the other being very weak. The above work is extended to include four-wave mixing in four level atoms in a diamond configuration. Two co-propagating beams of different wavelengths drive the atoms from a ground state |1〉 to an excited state |3〉 via an intermediate state |2〉. The atoms then move back to the ground state via another intermediate state |4〉, resulting in the generation of two additional correlated photon beams. The characteristics of these additional photons are studied.

Optical Atomic Clock for Fundamental Physics and Precision Metrology in Space

NASA Astrophysics Data System (ADS)

Williams, Jason; Le, Thanh; Kulas, Sascha; Yu, Nan

2017-04-01

The maturity of optical atomic clocks (OC), which operate at optical frequencies for higher quality-factor as compared to their microwave counterparts, has rapidly progressed to the point where lab-based systems now outperform the record cesium clocks by orders of magnitude in both accuracy and stability. We will present our efforts to develop a strontium optical clock testbed at JPL, aimed towards extending the exceptional performance demonstrated by OCs from state-of-the-art laboratory designs to a transportable instrument that can fit within the space and power constraints of e.g. a single express rack onboard the International Space Station. The overall technology will find applications for future fundamental physics research, both on ground and in space, precision time keeping, and NASA/JPL time and frequency test capabilities. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

Watching the Real-time Evolution of a Laser Modified Atom Using Attosecond Pulses

NASA Astrophysics Data System (ADS)

Shivaram, Niranjan; Timmers, Henry; Tong, Xiao-Min; Sandhu, Arvinder

2011-10-01

In the presence of even moderately strong laser fields, atomic states are heavily modified and develop rich structure. Such a laser dressed atom can be described using the Floquet theory in which the laser dressed states called Floquet states are composed of different Fourier components. In this work we use XUV attosecond pulses to excite a He atom from its ground state to near-infrared (NIR) laser dressed Floquet states, which are ionized by the dressing laser field. Quantum interferences between Fourier components of these Floquet states lead to oscillations in He ion yield as a function of time-delay between the XUV and NIR pulses. From the ion yield signal we measure the quantum phase difference between transition matrix elements to two different Fourier components as a function of both time-delay (instantaneous NIR intensity) and NIR pulse peak intensity. These measurements along with information from time-dependent Schrodinger equation simulations enable us to observe the real-time evolution of the laser modified atom as the dominant Floquet state mediating the ionization changes from the 5p Floquet state to the 2p Floquet state with increasing NIR intensity.

Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis.

PubMed

Lu, Haigang; Dai, Dadi; Yang, Pin; Li, Lemin

2006-01-21

An approach of atomic orbitals in molecules (AOIM) has been developed to study the atomic properties in molecules, in which the molecular orbitals are expressed in terms of the optimized minimal atomic orbitals. The atomic electronegativities are calculated using Pauling's electronegativity of free atom and are employed to find the electronegativity equilibrium in molecules and to describe the amphoteric properties of the transition metals from the groups 4 to 10. AOIM can also improve the numerical stability and accuracy of the original Mulliken population analysis.

Atomic scale dynamics of a solid state chemical reaction directly determined by annular dark-field electron microscopy.

PubMed

Pennycook, Timothy J; Jones, Lewys; Pettersson, Henrik; Coelho, João; Canavan, Megan; Mendoza-Sanchez, Beatriz; Nicolosi, Valeria; Nellist, Peter D

2014-12-22

Dynamic processes, such as solid-state chemical reactions and phase changes, are ubiquitous in materials science, and developing a capability to observe the mechanisms of such processes on the atomic scale can offer new insights across a wide range of materials systems. Aberration correction in scanning transmission electron microscopy (STEM) has enabled atomic resolution imaging at significantly reduced beam energies and electron doses. It has also made possible the quantitative determination of the composition and occupancy of atomic columns using the atomic number (Z)-contrast annular dark-field (ADF) imaging available in STEM. Here we combine these benefits to record the motions and quantitative changes in the occupancy of individual atomic columns during a solid-state chemical reaction in manganese oxides. These oxides are of great interest for energy-storage applications such as for electrode materials in pseudocapacitors. We employ rapid scanning in STEM to both drive and directly observe the atomic scale dynamics behind the transformation of Mn3O4 into MnO. The results demonstrate we now have the experimental capability to understand the complex atomic mechanisms involved in phase changes and solid state chemical reactions.

Dynamics of a single-atom electron pump.

PubMed

van der Heijden, J; Tettamanzi, G C; Rogge, S

2017-03-15

Single-electron pumps based on isolated impurity atoms have recently been experimentally demonstrated. In these devices the Coulomb potential of an atom creates a localised electron state with a large charging energy and considerable orbital level spacings, enabling robust charge capturing processes. In contrast to the frequently used gate-defined quantum dot pumps, which experience a strongly time-dependent potential, the confinement potential in these single-atom pumps is hardly affected by the periodic driving of the system. Here we describe the behaviour and performance of an atomic, single parameter, electron pump. This is done by considering the loading, isolating and unloading of one electron at the time, on a phosphorous atom embedded in a silicon double gate transistor. The most important feature of the atom pump is its very isolated ground state, which is populated through the fast loading of much higher lying excited states and a subsequent fast relaxation process. This leads to a substantial increase in pumping accuracy, and is opposed to the adverse role of excited states observed for quantum dot pumps due to non-adiabatic excitations. The pumping performance is investigated as a function of dopant position, revealing a pumping behaviour robust against the expected variability in atomic position.

Dynamics of a single-atom electron pump

PubMed Central

van der Heijden, J.; Tettamanzi, G. C.; Rogge, S.

2017-01-01

Single-electron pumps based on isolated impurity atoms have recently been experimentally demonstrated. In these devices the Coulomb potential of an atom creates a localised electron state with a large charging energy and considerable orbital level spacings, enabling robust charge capturing processes. In contrast to the frequently used gate-defined quantum dot pumps, which experience a strongly time-dependent potential, the confinement potential in these single-atom pumps is hardly affected by the periodic driving of the system. Here we describe the behaviour and performance of an atomic, single parameter, electron pump. This is done by considering the loading, isolating and unloading of one electron at the time, on a phosphorous atom embedded in a silicon double gate transistor. The most important feature of the atom pump is its very isolated ground state, which is populated through the fast loading of much higher lying excited states and a subsequent fast relaxation process. This leads to a substantial increase in pumping accuracy, and is opposed to the adverse role of excited states observed for quantum dot pumps due to non-adiabatic excitations. The pumping performance is investigated as a function of dopant position, revealing a pumping behaviour robust against the expected variability in atomic position. PMID:28295055

Spin dynamics and Kondo physics in optical tweezers

NASA Astrophysics Data System (ADS)

Lin, Yiheng; Lester, Brian J.; Brown, Mark O.; Kaufman, Adam M.; Long, Junling; Ball, Randall J.; Isaev, Leonid; Wall, Michael L.; Rey, Ana Maria; Regal, Cindy A.

2016-05-01

We propose to use optical tweezers as a toolset for direct observation of the interplay between quantum statistics, kinetic energy and interactions, and thus implement minimum instances of the Kondo lattice model in systems with few bosonic rubidium atoms. By taking advantage of strong local exchange interactions, our ability to tune the spin-dependent potential shifts between the two wells and complete control over spin and motional degrees of freedom, we design an adiabatic tunneling scheme that efficiently creates a spin-singlet state in one well starting from two initially separated atoms (one atom per tweezer) in opposite spin state. For three atoms in a double-well, two localized in the lowest vibrational mode of each tweezer and one atom in an excited delocalized state, we plan to use similar techniques and observe resonant transfer of two-atom singlet-triplet states between the wells in the regime when the exchange coupling exceeds the mobile atom hopping. Moreover, we argue that such three-atom double-tweezers could potentially be used for quantum computation by encoding logical qubits in collective spin and motional degrees of freedom. Current address: Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.

Teleporting entanglements of cavity-field states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pires, Geisa; Baseia, B.; Almeida, N.G. de

2004-08-01

We present a scheme to teleport an entanglement of zero- and one-photon states from one cavity to another. The scheme, which has 100% success probability, relies on two perfect and identical bimodal cavities, a collection of two kinds of two-level atoms, a three-level atom in a ladder configuration driven by a classical field, Ramsey zones, and selective atomic-state detectors.

Rydberg-Ritz analysis and quantum defects for Rb and Cs atoms on helium nanodroplets

NASA Astrophysics Data System (ADS)

Lackner, Florian; Krois, Günter; Ernst, Wolfgang E.

2013-08-01

A Rydberg-Ritz approach is used for the interpretation of Rb-He? and Cs-He? Rydberg states and Rydberg series. Variations of the quantum defects within a Rydberg series give insight into the interaction between the alkali atom's valence electron and the superfluid helium droplet. A screening of the valence electron from the alkali atom core by the helium droplet is observed for high Rydberg states. For states with lower principal quantum number, the effect decreases and the quantum defects are found to lie closer to free atom values, indicating an increased probability for the electron to be found inside the alkali atom core. An investigation of the spin-orbit splitting of the Cs-He? nP(2Π) components reveals that the splitting of the lowest 2Π states is more atom-like [Hund's case (c) coupling] than at higher n states [Hund's case (a) coupling]. In addition, we report a detailed study of the droplet size dependence of Ak-He? Rydberg series on the example of the Rb-He? D(Δ) series. Higher Rydberg states of this series are strongly redshifted, which is also related to the screening effect.

Controlling interactions between highly magnetic atoms with Feshbach resonances.

PubMed

Kotochigova, Svetlana

2014-09-01

This paper reviews current experimental and theoretical progress in the study of dipolar quantum gases of ground and meta-stable atoms with a large magnetic moment. We emphasize the anisotropic nature of Feshbach resonances due to coupling to fast-rotating resonant molecular states in ultracold s-wave collisions between magnetic atoms in external magnetic fields. The dramatic differences in the distribution of resonances of magnetic (7)S3 chromium and magnetic lanthanide atoms with a submerged 4f shell and non-zero electron angular momentum is analyzed. We focus on dysprosium and erbium as important experimental advances have been recently made to cool and create quantum-degenerate gases for these atoms. Finally, we describe progress in locating resonances in collisions of meta-stable magnetic atoms in electronic P-states with ground-state atoms, where an interplay between collisional anisotropies and spin-orbit coupling exists.

A kilobyte rewritable atomic memory

NASA Astrophysics Data System (ADS)

Kalff, Floris; Rebergen, Marnix; Fahrenfort, Nora; Girovsky, Jan; Toskovic, Ranko; Lado, Jose; FernáNdez-Rossier, JoaquíN.; Otte, Sander

The ability to manipulate individual atoms by means of scanning tunneling microscopy (STM) opens op opportunities for storage of digital data on the atomic scale. Recent achievements in this direction include data storage based on bits encoded in the charge state, the magnetic state, or the local presence of single atoms or atomic assemblies. However, a key challenge at this stage is the extension of such technologies into large-scale rewritable bit arrays. We demonstrate a digital atomic-scale memory of up to 1 kilobyte (8000 bits) using an array of individual surface vacancies in a chlorine terminated Cu(100) surface. The chlorine vacancies are found to be stable at temperatures up to 77 K. The memory, crafted using scanning tunneling microscopy at low temperature, can be read and re-written automatically by means of atomic-scale markers, and offers an areal density of 502 Terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude.

0.75 atoms improve the clock signal of 10,000 atoms

NASA Astrophysics Data System (ADS)

Kruse, I.; Lange, K.; Peise, J.; Lücke, B.; Pezzè, L.; Arlt, J.; Ertmer, W.; Lisdat, C.; Santos, L.; Smerzi, A.; Klempt, C.

2017-02-01

Since the pioneering work of Ramsey, atom interferometers are employed for precision metrology, in particular to measure time and to realize the second. In a classical interferometer, an ensemble of atoms is prepared in one of the two input states, whereas the second one is left empty. In this case, the vacuum noise restricts the precision of the interferometer to the standard quantum limit (SQL). Here, we propose and experimentally demonstrate a novel clock configuration that surpasses the SQL by squeezing the vacuum in the empty input state. We create a squeezed vacuum state containing an average of 0.75 atoms to improve the clock sensitivity of 10,000 atoms by 2.05 dB. The SQL poses a significant limitation for today's microwave fountain clocks, which serve as the main time reference. We evaluate the major technical limitations and challenges for devising a next generation of fountain clocks based on atomic squeezed vacuum.

Squeezing on Momentum States for Atom Interferometry.

PubMed

Salvi, Leonardo; Poli, Nicola; Vuletić, Vladan; Tino, Guglielmo M

2018-01-19

We propose and analyze a method that allows for the production of squeezed states of the atomic center-of-mass motion that can be injected into an atom interferometer. Our scheme employs dispersive probing in a ring resonator on a narrow transition in order to provide a collective measurement of the relative population of two momentum states. We show that this method is applicable to a Bragg diffraction-based strontium atom interferometer with large diffraction orders. This technique can be extended also to small diffraction orders and large atom numbers N by inducing atomic transparency at the frequency of the probe field, reaching an interferometer phase resolution scaling Δϕ∼N^{-3/4}. We show that for realistic parameters it is possible to obtain a 20 dB gain in interferometer phase estimation compared to the standard quantum limit. Our method is applicable to other atomic species where a narrow transition is available or can be synthesized.

Dissipation induced asymmetric steering of distant atomic ensembles

NASA Astrophysics Data System (ADS)

Cheng, Guangling; Tan, Huatang; Chen, Aixi

2018-04-01

The asymmetric steering effects of separated atomic ensembles denoted by the effective bosonic modes have been explored by the means of quantum reservoir engineering in the setting of the cascaded cavities, in each of which an atomic ensemble is involved. It is shown that the steady-state asymmetric steering of the mesoscopic objects is unconditionally achieved via the dissipation of the cavities, by which the nonlocal interaction occurs between two atomic ensembles, and the direction of steering could be easily controlled through variation of certain tunable system parameters. One advantage of the present scheme is that it could be rather robust against parameter fluctuations, and does not require the accurate control of evolution time and the original state of the system. Furthermore, the double-channel Raman transitions between the long-lived atomic ground states are used and the atomic ensembles act as the quantum network nodes, which makes our scheme insensitive to the collective spontaneous emission of atoms.

Ultrafast creation of large Schrödinger cat states of an atom.

PubMed

Johnson, K G; Wong-Campos, J D; Neyenhuis, B; Mizrahi, J; Monroe, C

2017-09-26

Mesoscopic quantum superpositions, or Schrödinger cat states, are widely studied for fundamental investigations of quantum measurement and decoherence as well as applications in sensing and quantum information science. The generation and maintenance of such states relies upon a balance between efficient external coherent control of the system and sufficient isolation from the environment. Here we create a variety of cat states of a single trapped atom's motion in a harmonic oscillator using ultrafast laser pulses. These pulses produce high fidelity impulsive forces that separate the atom into widely separated positions, without restrictions that typically limit the speed of the interaction or the size and complexity of the resulting motional superposition. This allows us to quickly generate and measure cat states larger than previously achieved in a harmonic oscillator, and create complex multi-component superposition states in atoms.Generation of mesoscopic quantum superpositions requires both reliable coherent control and isolation from the environment. Here, the authors succeed in creating a variety of cat states of a single trapped atom, mapping spin superpositions into spatial superpositions using ultrafast laser pulses.

Electromagnetically induced transparency and nonlinear pulse propagation in a combined tripod and Λ atom-light coupling scheme

NASA Astrophysics Data System (ADS)

Hamedi, H. R.; Ruseckas, J.; Juzeliūnas, G.

2017-09-01

We consider propagation of a probe pulse in an atomic medium characterized by a combined tripod and Lambda (Λ) atom-light coupling scheme. The scheme involves three atomic ground states coupled to two excited states by five light fields. It is demonstrated that dark states can be formed for such an atom-light coupling. This is essential for formation of the electromagnetically induced transparency (EIT) and slow light. In the limiting cases the scheme reduces to conventional Λ- or N-type atom-light couplings providing the EIT or absorption, respectively. Thus, the atomic system can experience a transition from the EIT to the absorption by changing the amplitudes or phases of control lasers. Subsequently the scheme is employed to analyze the nonlinear pulse propagation using the coupled Maxwell-Bloch equations. It is shown that a generation of stable slow light optical solitons is possible in such a five-level combined tripod and Λ atomic system.

A practical theoretical formalism for atomic multielectron processes: direct multiple ionization by a single auger decay or by impact of a single electron or photon

NASA Astrophysics Data System (ADS)

Liu, Pengfei; Zeng, Jiaolong; Yuan, Jianmin

2018-04-01

Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. Direct multielectron processes (DMEP) are the most complicated among the general multiple electron processes and are the most difficult to describe theoretically. In this work, a unified and accurate theoretical formalism is proposed on the DMEP of atoms including the multiple auger decay and multiple ionization by an impact of a single electron or a single photon based on the atomic collision theory described by a correlated many-body Green's function. Such a practical treatment is made possible by taking consideration of the different coherence features of the atoms (matter waves) in the initial and final states. We first explain how the coherence characteristics of the ejected continuum electrons is largely destructed, by taking the electron impact direct double ionization process as an example. The direct double ionization process is completely different from the single ionization where the complete interference can be maintained. The detailed expressions are obtained for the energy correlations among the continuum electrons and energy resolved differential and integral cross sections according to the separation of knock-out (KO) and shake-off (SO) mechanisms for the electron impact direct double ionization, direct double and triple auger decay, and double and triple photoionization (TPI) processes. Extension to higher order DMEP than triple ionization is straight forward by adding contributions of the following KO and SO processes. The approach is applied to investigate the electron impact double ionization processes of C+, N+, and O+, the direct double and triple auger decay of the K-shell excited states of C+ 1s2{s}22{p}2{}2D and {}2P, and the double and TPI of lithium. Comparisons with the experimental and other theoretical investigations wherever available in the literature show that our theoretical formalism is accurate and effective in treating the atomic multielectron processes.

Velocity selection for ultracold atoms using mazer action in a bimodal cavity

NASA Astrophysics Data System (ADS)

Irshad, Afshan; Qamar, Sajid; Qamar, Shahid

2010-01-01

In this paper, we discuss the velocity selection of ultracold three-level atoms in Λ configuration using a mazer. Our model is the same as discussed by Arun et al. [R. Arun, G.S. Agarwal, M.O. Scully, H. Walther, Phys. Rev. A 62 (2000) 023809] for mazer action in a bimodal cavity. We show that the initial Maxwellian velocity distribution of ultracold atoms can be narrowed due to the presence of resonances in the transmission through dressed-state potential. When the atoms are initially prepared in one of the two lower atomic states then significantly better velocity selectivity is obtained due to the presence of dark states.

Creating fractional quantum Hall states with atomic clusters using light-assisted insertion of angular momentum

NASA Astrophysics Data System (ADS)

Zhang, Junyi; Beugnon, Jerome; Nascimbene, Sylvain

We describe a protocol to prepare clusters of ultracold bosonic atoms in strongly interacting states reminiscent of fractional quantum Hall states. Our scheme consists in injecting a controlled amount of angular momentum to an atomic gas using Raman transitions carrying orbital angular momentum. By injecting one unit of angular momentum per atom, one realizes a single-vortex state, which is well described by mean-field theory for large enough particle numbers. We also present schemes to realize fractional quantum Hall states, namely, the bosonic Laughlin and Moore-Read states. We investigate the requirements for adiabatic nucleation of such topological states, in particular comparing linear Landau-Zener ramps and arbitrary ramps obtained from optimized control methods. We also show that this protocol requires excellent control over the isotropic character of the trapping potential. ERC-Synergy Grant UQUAM, ANR-10-IDEX-0001-02, DIM NanoK Atocirc project.

Optimally Squeezed Spin States

NASA Astrophysics Data System (ADS)

Rojo, Alberto

2004-03-01

We consider optimally spin-squeezed states that maximize the sensitivity of the Ramsey spectroscopy, and for which the signal to noise ratio scales as the number of particles N. Using the variational principle we prove that these states are eigensolutions of the Hamiltonian H(λ)=λ S_z^2-S_x, and that, for large N, the states become equivalent to the quadrature squeezed states of the harmonic oscillator. We present numerical results that illustrate the validity of the equivalence. We also present results of spin squeezing via atom-field interactions within the context of the Tavis-Cummings model. An ensemble of N two-level atoms interacts with a quantized cavity field. For all the atoms initially in their ground states, it is shown that spin squeezing of both the atoms and the field can be achieved provided the initial state of the cavity field has coherence between number states differing by 2. Most of the discussion is restricted to the case of a cavity field initially in a coherent state, but initial squeezed states for the field are also discussed. An analytic solution is found that is valid in the limit that the number of atoms is much greater than unity. References: A. G. Rojo, Phys. Rev A, 68, 013807 (2003); Claudiu Genes, P. R. Berman, and A. G. Rojo Phys. Rev. A 68, 043809 (2003).

Isotropic Inelastic Collisions in a Multiterm Atom with Hyperfine Structure

NASA Astrophysics Data System (ADS)

Belluzzi, Luca; Landi Degl'Innocenti, Egidio; Trujillo Bueno, Javier

2015-10-01

A correct modeling of the scattering polarization profiles observed in some spectral lines of diagnostic interest, the sodium doublet being one of the most important examples, requires taking hyperfine structure (HFS) and quantum interference between different J-levels into account. An atomic model suitable for taking these physical ingredients into account is the so-called multiterm atom with HFS. In this work, we introduce and study the transfer and relaxation rates due to isotropic inelastic collisions with electrons, which enter the statistical equilibrium equations (SEE) for the atomic density matrix of this atomic model. Under the hypothesis that the electron-atom interaction is described by a dipolar operator, we provide useful relations between the rates describing the transfer and relaxation of quantum interference between different levels (whose numerical values are in most cases unknown) and the usual rates for the atomic level populations, for which experimental data and/or approximate theoretical expressions are generally available. For the particular case of a two-term atom with HFS, we present an analytical solution of the SEE for the spherical statistical tensors of the upper term, including both radiative and collisional processes, and we derive the expression of the emission coefficient in the four Stokes parameters. Finally, an illustrative application to the Na i D1 and D2 lines is presented.

New stent design for use in small coronary arteries during percutaneous coronary intervention

PubMed Central

Granada, Juan F; Huibregtse, Barbara A; Dawkins, Keith D

2010-01-01

Patients with diabetes mellitus, of female gender, increased age, and/or with peripheral vascular disease often develop coronary stenoses in small caliber vessels. This review describes treatment of these lesions with the paclitaxel-eluting 2.25 mm TAXUS® Liberté® Atom™ stent. Given the same stent composition, polymer, antirestenotic drug (paclitaxel), and release kinetics as the first-generation 2.25 mm TAXUS® Express® Atom™ stent, the second-generation TAXUS Liberté Atom stent incorporates improved stent design characteristics, including thinner struts (0.0038 versus 0.0052 inches), intended to increase conformability and deliverability. In a porcine noninjured coronary artery model, TAXUS Liberté Atom stent implantation in small vessels demonstrated complete strut tissue coverage compared with the bare metal stent control, suggesting a similar degree of tissue healing between the groups at 30, 90, and 180 days. The prospective, single-armed TAXUS ATLAS Small Vessel trial demonstrated improved instent late loss (0.28 ± 0.45 versus 0.84 ± 0.57 mm, P < 0.001), instent binary restenosis (13.0% versus 38.1%, P < 0.001), and target lesion revascularization (5.8% versus 17.6%, P < 0.001) at nine months with the TAXUS Liberté Atom stent as compared with the bare metal Express stent control, with similar safety measures between the two groups. The TAXUS Liberté Atom also significantly reduced nine-month angiographic rates of both instent late loss (0.28 ± 0.45 versus 0.44 ± 0.61 mm, P = 0.03) and instent binary restenosis (13.0% versus 25.9%, P = 0.02) when compared with the 2.25 mm TAXUS Express Atom control. The observed reduction in target lesion revascularization with the TAXUS Liberté Atom compared with the TAXUS Express Atom at nine months (5.8% versus 13.7%, P = 0.02) was sustained through three years (10.0% versus 22.1%, P = 0.008) with similar, stable safety outcomes between the groups. In conclusion, these data confirm the safety and favorable performance of the TAXUS Liberté Atom stent in the treatment of small coronary vessels. PMID:22915922

High Fidelity Preparation of a Single Atom in Its 2D Center of Mass Ground State

NASA Astrophysics Data System (ADS)

Sompet, Pimonpan; Fung, Yin Hsien; Schwartz, Eyal; Hunter, Matthew D. J.; Phrompao, Jindaratsamee; Andersen, Mikkel F.

2017-04-01

Complete control over quantum states of individual atoms is important for the study of the microscopic world. Here, we present a push button method for high fidelity preparation of a single 85Rb atom in the vibrational ground state of tightly focused optical tweezers. The method combines near-deterministic preparation of a single atom with magnetically-insensitive Raman sideband cooling. We achieve 2D cooling in the radial plane with a ground state population of 0.85, which provides a fidelity of 0.7 for the entire procedure (loading and cooling). The Raman beams couple two sublevels (| F = 3 , m = 0 〉 and | F = 2 , m = 0 〉) that are indifferent to magnetic noise to first order. This leads to long atomic coherence times, and allows us to implement the cooling in an environment where magnetic field fluctuations prohibit previously demonstrated variations. Additionally, we implement the trapping and manipulation of two atoms confined in separate dynamically reconfigurable optical tweezers, to study few-body dynamics.

Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

NASA Astrophysics Data System (ADS)

Alexander, Steven; Coldwell, R. L.

2015-03-01

The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

Modeling inelastic phonon scattering in atomic- and molecular-wire junctions

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

2005-11-01

Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the nonequilibrium Green’s function method. The accuracy is demonstrated with a first-principles calculation on an atomic gold wire. Quantitative agreement between the full nonequilibrium Green’s function calculation and the newly derived expressions is obtained while simplifying the computational burden by several orders of magnitude. In addition, analytical models provide intuitive understanding of the conductance including nonequilibrium heating and provide a convenient way of parameterizing the physics. This is exemplified by fitting the expressions to the experimentally observed conductances through both an atomic gold wire and a hydrogen molecule.

Partially autoionizing states of atomic oxygen

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Petrosky, V. E.

1974-01-01

Certain Rydberg states and an intershell transition of atomic oxygen were shown to partially autoionize, and to produce emission spectra competitive with autoionization. These states are forbidden to autoionize on the basis of LS coupling; but they were observed both in emission spectroscopy and in photoelectron spectroscopy. The results explain an unidentified structure in the 584 Angstrom He I atomic O spectrum observed by previous investigators.

Diatomics-in-molecules description of the Rg-Hal2 rare gas-halogen van der Waals complexes with applications to He-Cl2

NASA Astrophysics Data System (ADS)

Grigorenko, B. L.; Nemukhin, A. V.; Buchachenko, A. A.; Stepanov, N. F.; Umanskii, S. Ya.

1997-03-01

The diatomics-in-molecules (DIM) technique is applied for a description of the low-lying states of the Rg-Hal2 van der Waals complexes correlating with the lowest states of constituent atoms Rg(1S)+Hal(2Pj)+Hal(2Pj). The important feature of this approach is the construction of polyatomic basis functions as products of the Hal2 diatomic eigenstates classified within the Hund "c" scheme and the atomic rare gas wave function. Necessary transformations to the other basis set representations are described, and finally all the matrix elements are expressed in terms of nonrelativistic adiabatic energies of Hal2 and Rg Hal fragments and spin-orbit splitting constant of the halogen atom. Our main concern is to test the DIM-based approximations of different levels taking the He-Cl2 system as an example. Namely, we have compared the results obtained within a hierarchy of approaches: (1) the simplest pairwise potential scheme as a far extreme of the DIM model, (2) the same as (1) but with the different components (Σ and Π) for He-Cl interaction, (3) the accurate DIM technique without spin-orbit terms, and (4) the highest level which takes into account all these contributions. The results have been compared to the other DIM like models as well. The shapes of two-dimensional potential surfaces for the ground (X) and excited (B) states of HeCl2, binding energies De with respect to He+Cl2, stretching and bending vibrational frequencies of the complex, binding energies D0, and spectral shifts for the B←X transition are discussed.

Engineering steady-state entanglement via dissipation and quantum Zeno dynamics in an optical cavity.

PubMed

Li, Dong-Xiao; Shao, Xiao-Qiang; Wu, Jin-Hui; Yi, X X

2017-10-01

A new mechanism is proposed for dissipatively preparing maximal Bell entangled state of two atoms in an optical cavity. This scheme integrates the spontaneous emission, the light shift of atoms in the presence of dispersive microwave field, and the quantum Zeno dynamics induced by continuous coupling, to obtain a unique steady state irrespective of initial state. Even for a large cavity decay, a high-fidelity entangled state is achievable at a short convergence time, since the occupation of the cavity mode is inhibited by the Zeno requirement. Therefore, a low single-atom cooperativity C=g 2 /(κγ) is good enough for realizing a high fidelity of entanglement in a wide range of decoherence parameters. As a straightforward extension, the feasibility for preparation of two-atom Knill-Laflamme-Milburn state with the same mechanism is also discussed.

Inelastic Scattering of a Photon by a Hydrogen-Like Atom

NASA Astrophysics Data System (ADS)

Skobelev, V. V.

2017-05-01

Inelastic scattering of a photon by a bound electron of a hydrogen-like atom is considered. An expression for the cross section of this process, which can take place both without and with a change in the energy of the photon due to atomic transitions, is obtained. Within the framework of the standard technique of Feynman diagrams with a free electron propagator, general expressions for the amplitude and cross section of the process have been obtained. Arguments in favor of the validity of using this representation of the propagator in the calculation of the amplitude in the field of a nucleus are presented. As an accompanying result, an expression for the density matrix of an electron in the field of a nucleus is found in the leading approximation in the small "atomic" expansion parameter ( Zα) << 1, α = e 2 / ћc. It is shown that in a real situation at temperatures T << m e of the equilibrium radiation field this process can be neglected in comparison with spontaneous emission of radiation by a hydrogen-like atom despite the lower power of the parameter (Zα) in its amplitude. As far as is known, this quite important question, framed in such a way, has not been discussed in the literature.

Quasi-Solid-State Single-Atom Transistors.

PubMed

Xie, Fangqing; Peukert, Andreas; Bender, Thorsten; Obermair, Christian; Wertz, Florian; Schmieder, Philipp; Schimmel, Thomas

2018-06-21

The single-atom transistor represents a quantum electronic device at room temperature, allowing the switching of an electric current by the controlled and reversible relocation of one single atom within a metallic quantum point contact. So far, the device operates by applying a small voltage to a control electrode or "gate" within the aqueous electrolyte. Here, the operation of the atomic device in the quasi-solid state is demonstrated. Gelation of pyrogenic silica transforms the electrolyte into the quasi-solid state, exhibiting the cohesive properties of a solid and the diffusive properties of a liquid, preventing the leakage problem and avoiding the handling of a liquid system. The electrolyte is characterized by cyclic voltammetry, conductivity measurements, and rotation viscometry. Thus, a first demonstration of the single-atom transistor operating in the quasi-solid-state is given. The silver single-atom and atomic-scale transistors in the quasi-solid-state allow bistable switching between zero and quantized conductance levels, which are integer multiples of the conductance quantum G 0  = 2e 2 /h. Source-drain currents ranging from 1 to 8 µA are applied in these experiments. Any obvious influence of the gelation of the aqueous electrolyte on the electron transport within the quantum point contact is not observed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coherent Addressing of Individual Neutral Atoms in a 3D Optical Lattice.

PubMed

Wang, Yang; Zhang, Xianli; Corcovilos, Theodore A; Kumar, Aishwarya; Weiss, David S

2015-07-24

We demonstrate arbitrary coherent addressing of individual neutral atoms in a 5×5×5 array formed by an optical lattice. Addressing is accomplished using rapidly reconfigurable crossed laser beams to selectively ac Stark shift target atoms, so that only target atoms are resonant with state-changing microwaves. The effect of these targeted single qubit gates on the quantum information stored in nontargeted atoms is smaller than 3×10^{-3} in state fidelity. This is an important step along the path of converting the scalability promise of neutral atoms into reality.

Rate constants for CF{sub 3} + H{sub 2} {r_arrow} CF{sub 3}H + H and CF{sub 3}H + H {r_arrow} CF{sub 3} + H{sub 2} reactions in the temperature range 1100--1600 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hranisavljevic, J.; Michael, J.V.

1998-09-24

The shock tube technique coupled with H-atom atomic resonance absorption spectrometry has been used to study the reactions (1) CF{sub 3} + H{sub 2} {r_arrow} CF{sub 3}H + H and (2) CF{sub 3}H + H {r_arrow} CF{sub 3} + H{sub 2} over the temperature ranges 1168--1673 K and 1111--1550 K, respectively. The results can be represented by the Arrhenius expressions k{sub 1} = 2.56 {times} 10{sup {minus}11} exp({minus}8549K/T) and k{sub 2} = 6.13 {times} 10{sup {minus}11} exp({minus}7364K/T), both in cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. Equilibrium constants were calculated from the two Arrhenius expressions in the overlapping temperature range, andmore » good agreement was obtained with the literature values. The rate constants for reaction 2 were converted into rate constants for reaction 1 using literature equilibrium constants. These data are indistinguishable from direct k{sub 1} measurements, and an Arrhenius fit for the joint set is k{sub 1} = 1.88 {times} 10{sup {minus}11} exp({minus}8185K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The CF{sub 3} + H{sub 2} {r_arrow} CF{sub 3}H + H reaction was further modeled using conventional transition-state theory, which included ab initio electronic structure determinations of reactants, transition state, and products.« less

Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mironchuk, E. S.; Narits, A. A.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru

2015-11-15

The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific featuresmore » of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)« less

[Desmin content and transversal stiffness of the left ventricle mouse cardiomyocytes and skeletal muscle fibers after a 30-day space flight on board "BION-M1" biosatellite].

PubMed

Ogneva, I V; Maximova, M V; Larina, I M

2014-01-01

The aim of this study was to determine the transversal stiffness of the cortical cytoskeleton and the cytoskeletal protein desmin content in the left ventricle cardiomyocytes, fibers of the mouse soleus and tibialis anterior muscle after a 30-day space flight on board the "BION-M1" biosatellite (Russia, 2013). The dissection was made after 13-16.5 h after landing. The transversal stiffness was measured in relaxed and calcium activated state by, atomic force microscopy. The desmin content was estimated by western blotting, and the expression level of desmin-coding gene was detected using real-time PCR. The results indicate that, the transversal stiffness of the left ventricle cardiomyocytes and fibers of the soleus muscle in relaxed and activated states did not differ from the control. The transversal stiffness of the tibialis muscle fibers in relaxed and activated state was increased in the mice group after space flight. At the same time, in all types of studied tissues the desmin content and the expression level of desmin-coding gene did not differ from the control level.

Scalable quantum information processing with atomic ensembles and flying photons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mei Feng; Yu Yafei; Feng Mang

2009-10-15

We present a scheme for scalable quantum information processing with atomic ensembles and flying photons. Using the Rydberg blockade, we encode the qubits in the collective atomic states, which could be manipulated fast and easily due to the enhanced interaction in comparison to the single-atom case. We demonstrate that our proposed gating could be applied to generation of two-dimensional cluster states for measurement-based quantum computation. Moreover, the atomic ensembles also function as quantum repeaters useful for long-distance quantum state transfer. We show the possibility of our scheme to work in bad cavity or in weak coupling regime, which could muchmore » relax the experimental requirement. The efficient coherent operations on the ensemble qubits enable our scheme to be switchable between quantum computation and quantum communication using atomic ensembles.« less

Transfer of a weakly bound electron in collisions of Rydberg atoms with neutral particles. II. Ion-pair formation and resonant quenching of the Rb(nl) and Ne(nl) States by Ca, Sr, and Ba atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Narits, A. A.; Mironchuk, E. S.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru

2013-10-15

Electron-transfer processes are studied in thermal collisions of Rydberg atoms with alkaline-earth Ca(4s{sup 2}), Sr(5s{sup 2}), and Ba(6s{sup 2}) atoms capable of forming negative ions with a weakly bound outermost p-electron. We consider the ion-pair formation and resonant quenching of highly excited atomic states caused by transitions between Rydberg covalent and ionic terms of a quasi-molecule produced in collisions of particles. The contributions of these reaction channels to the total depopulation cross section of Rydberg states of Rb(nl) and Ne(nl) atoms as functions of the principal quantum number n are compared for selectively excited nl-levels with l Much-Less-Than n andmore » for states with large orbital quantum numbers l = n - 1, n - 2. It is shown that the contribution from resonant quenching dominates at small values of n, and the ion-pair formation process begins to dominate with increasing n. The values and positions of the maxima of cross sections for both processes strongly depend on the electron affinity of an alkaline-earth atom and on the orbital angular momentum l of a highly excited atom. It is shown that in the case of Rydberg atoms in states with large l {approx} n - 1, the rate constants of ion-pair formation and collisional quenching are considerably lower than those for nl-levels with l Much-Less-Than n.« less

Measurement of complete and continuous Wigner functions for discrete atomic systems

NASA Astrophysics Data System (ADS)

Tian, Yali; Wang, Zhihui; Zhang, Pengfei; Li, Gang; Li, Jie; Zhang, Tiancai

2018-01-01

We measure complete and continuous Wigner functions of a two-level cesium atom in both a nearly pure state and highly mixed states. We apply the method [T. Tilma et al., Phys. Rev. Lett. 117, 180401 (2016), 10.1103/PhysRevLett.117.180401] of strictly constructing continuous Wigner functions for qubit or spin systems. We find that the Wigner function of all pure states of a qubit has negative regions and the negativity completely vanishes when the purity of an arbitrary mixed state is less than 2/3 . We experimentally demonstrate these findings using a single cesium atom confined in an optical dipole trap, which undergoes a nearly pure dephasing process. Our method can be applied straightforwardly to multi-atom systems for measuring the Wigner function of their collective spin state.

Photon and vector meson exchanges in the production of light meson pairs and elementary atoms

NASA Astrophysics Data System (ADS)

Gevorkyan, S. R.; Kuraev, E. A.; Volkov, M. K.

2013-01-01

The production of pseudoscalar and scalar meson pairs ππ, ηη, η‧η‧, σσ as well as bound states in high energy γγ collisions are considered. The exchange by a vector particle in the binary process γ + γ → ha + hb with hadronic states ha, hb in fragmentation regions of the initial particle leads to nondecreasing cross sections with increasing energy, that is a priority of peripheral kinematics. Unlike the photon exchange the vector meson exchange needs a reggeization leading to fall with energy growth. Nevertheless, due to the peripheral kinematics beyond very forward production angles the vector meson exchanges dominate over all possible exchanges. The proposed approach allows one to express the matrix elements of the considered processes through impacting factors, which can be calculated in perturbation models like chiral perturbation theory (ChPT) or the Nambu-Jona-Lasinio (NJL) model. In particular cases the impact factors can be determined from relevant γγ sub-processes or the vector meson radiative decay width. The pionium atom production in the collisions of high energy electrons and pions with protons is considered and the relevant cross sections have been estimated.

Λ-enhanced grey molasses on the D2 transition of Rubidium-87 atoms.

PubMed

Rosi, Sara; Burchianti, Alessia; Conclave, Stefano; Naik, Devang S; Roati, Giacomo; Fort, Chiara; Minardi, Francesco

2018-01-22

Laser cooling based on dark states, i.e. states decoupled from light, has proven to be effective to increase the phase-space density of cold trapped atoms. Dark-states cooling requires open atomic transitions, in contrast to the ordinary laser cooling used for example in magneto-optical traps (MOTs), which operate on closed atomic transitions. For alkali atoms, dark-states cooling is therefore commonly operated on the D 1 transition nS 1/2  → nP 1/2 . We show that, for 87 Rb, thanks to the large hyperfine structure separations the use of this transition is not strictly necessary and that "quasi-dark state" cooling is efficient also on the D 2 line, 5S 1/2  → 5P 3/2 . We report temperatures as low as (4.0 ± 0.3) μK and an increase of almost an order of magnitude in the phase space density with respect to ordinary laser sub-Doppler cooling.

Qubit-loss-free fusion of atomic W states via photonic detection

NASA Astrophysics Data System (ADS)

Ding, Cheng-Yun; Kong, Fan-Zhen; Yang, Qing; Yang, Ming; Cao, Zhuo-Liang

2018-06-01

In this paper, we propose two new qubit-loss-free (QLF) fusion schemes for W states in cavity QED system. Resonant interactions between atoms and single cavity mode constitute the main fusion mechanism, with which atomic |W_{n+m}> and |W_{n+m+q}> states can be generated, respectively, from a |Wn> and a |Wm>; and from a |Wn>, a |Wm> and a |Wq>, by detecting the cavity mode. The QLF property of the schemes makes them more efficient and simpler than the currently existing ones, and fewer intermediate steps and memory resources are required for generating a target large-scale W state. Furthermore, the fusion of atomic states can be realized via the detection on cavity mode rather than the much complicated atomic detection, which makes our schemes feasible. In addition, the analyses of the optimal resource cost and the experimental feasibility indicate that the present schemes are simple and efficient, and maybe implementable within the current experimental techniques.

Dynamics of quantum correlation and coherence for two atoms coupled with a bath of fluctuating massless scalar field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Zhiming, E-mail: 465609785@qq.com; Situ, Haozhen, E-mail: situhaozhen@gmail.com

In this article, the dynamics of quantum correlation and coherence for two atoms interacting with a bath of fluctuating massless scalar field in the Minkowski vacuum is investigated. We firstly derive the master equation that describes the system evolution with initial Bell-diagonal state. Then we discuss the system evolution for three cases of different initial states: non-zero correlation separable state, maximally entangled state and zero correlation state. For non-zero correlation initial separable state, quantum correlation and coherence can be protected from vacuum fluctuations during long time evolution when the separation between the two atoms is relatively small. For maximally entangledmore » initial state, quantum correlation and coherence overall decrease with evolution time. However, for the zero correlation initial state, quantum correlation and coherence are firstly generated and then drop with evolution time; when separation is sufficiently small, they can survive from vacuum fluctuations. For three cases, quantum correlation and coherence first undergo decline and then fluctuate to relatively stable values with the increasing distance between the two atoms. Specially, for the case of zero correlation initial state, quantum correlation and coherence occur periodically revival at fixed zero points and revival amplitude declines gradually with increasing separation of two atoms.« less

Using Uncertainty Principle to Find the Ground-State Energy of the Helium and a Helium-like Hookean Atom

ERIC Educational Resources Information Center

Harbola, Varun

2011-01-01

In this paper, we accurately estimate the ground-state energy and the atomic radius of the helium atom and a helium-like Hookean atom by employing the uncertainty principle in conjunction with the variational approach. We show that with the use of the uncertainty principle, electrons are found to be spread over a radial region, giving an electron…

Ultracold Chemical Reactions of a Single Rydberg Atom in a Dense Gas

DOE PAGES

Schlagmüller, Michael; Liebisch, Tara Cubel; Engel, Felix; ...

2016-08-10

Within a dense environment (ρ ≈ 10 14 atoms/cm 3) at ultracold temperatures (T < 1 μK), a single atom excited to a Rydberg state acts as a reaction center for surrounding neutral atoms. At these temperatures, almost all neutral atoms within the Rydberg orbit are bound to the Rydberg core and interact with the Rydberg atom. We have studied the reaction rate and products for nS 87Rb Rydberg states, and we mainly observe a state change of the Rydberg electron to a high orbital angular momentum l, with the released energy being converted into kinetic energy of the Rydberg atom. Unexpectedly, the measurements show a threshold behavior at n ≈ 100 for the inelastic collision time leading to increased lifetimes of the Rydberg state independent of the densities investigated. Even at very high densities (ρ ≈ 4.8 x 10 14 cm -3), the lifetime of a Rydberg atom exceeds 10 μs at n > 140 compared to 1 μs at n = 90. In addition, a second observed reaction mechanism, namely, Rbmore » $$+\\atop{2}$$ molecule formation, was studied. Both reaction products are equally probable for n = 40, but the fraction of Rb + 2 created drops to below 10% for n ≥ 90.« less

Entanglement via Faraday effect - an old tool at a new job for Quantum Networks

NASA Astrophysics Data System (ADS)

Polzik, Eugene

2002-05-01

A new approach to the problem of the quantum interface between light and atoms has been developed [1,2]. The method utilizes free space dispersive interaction of pulses of light with spin polarized atomic ensembles. Entanglement between the polarization state of light and the collective spin state of atoms is established by measurement, more precisely by detection of light in certain polarization basis. In the first demonstration of this approach [3] we have generated a long-lived entangled state of two separate macroscopic atomic samples by a polarization measurement on light transmitted through the samples. We then have shown that this approach also works for mapping of a quantum state of light onto long-lived atomic spin state [4] paving the road towards realization of the quantum memory for light. Progress with other communication protocols such as atomic state teleportation and multiparty networks will be presented. 1. A. Kuzmich and E. S. Polzik, Phys. Rev. Lett. (2000) 85, 5639. 2. Lu-Ming Duan, J.I. Cirac, P. Zoller and E. S. Polzik, Phys. Rev. Lett. (2000) 85, (25), 5643. 3. B. Julsgaard, A. Kozhekin, and E. S. Polzik, Nature, 413, 400 (2001). 4. J. L. Sorensen, B. Julsgaard, C. Schori and E. S. Polzik, submitted for publication.

Resonance dispersion interaction of alkali metal atoms in Rydberg states

NASA Astrophysics Data System (ADS)

Kamenski, A. A.; Mokhnenko, S. N.; Ovsyannikov, V. D.

2017-06-01

With the use of second-order perturbation theory in the long-range interatomic interaction for the degenerate states of two Rydberg atoms we have obtained a general formula for the dependence of atomic interaction energy on the interatomic distance R in the presence of the Förster resonance. Inside of the ‘Förster sphere’ (R < RF) this dependence transforms to the formula for electric dipole interaction energy ΔEd - d = C3/R3 and for R > RF it transforms to the formula for the van der Waals interaction energy ΔEVdW = -C6/R6. The van der Waals constant C6 is represented as an expansion in terms of irreducible components which define the dependence on the interatomic axis orientation relative to the quantisation axis of projections M of the total angular momentum J. The numerical values of the irreducible components of tensor C6 were calculated for rubidium atoms in the same Rydberg states |nlJM> with large quantum numbers n. We present the calculated resonance interaction energy of two rubidium atoms in the states |43D5/2M>, whose total energy exceeds by only 8 MHz the total energy of one of the atoms in the state |45P3/2M> and of the other in the state |41F7/2M>.

FAST TRACK COMMUNICATION: Generalized geometrical model for photoionization of polarized atoms: II. Magnetic dichroism in the 3p photoemission from the K 3p64s 2S1/2 ground state

NASA Astrophysics Data System (ADS)

Grum-Grzhimailo, A. N.; Cubaynes, D.; Heinecke, E.; Hoffmann, P.; Zimmermann, P.; Meyer, M.

2010-10-01

The generalized geometrical model for photoionization from polarized atoms is extended to include mixing of configurations in the initial atomic and/or the final photoion states. The theoretical results for angle-resolved linear and circular magnetic dichroism are in good agreement with new high-resolution photoelectron data for 3p-1 photoionization of potassium atoms polarized in the K 3p64s 2S1/2 ground state by laser optical pumping.

Atomic states in optical traps near a planar surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messina, Riccardo; Pelisson, Sophie; Angonin, Marie-Christine

2011-05-15

In this paper, we discuss the atomic states in a vertical optical lattice in proximity of a surface. We study the modifications to the ordinary Wannier-Stark states in the presence of a surface, and we characterize the energy shifts produced by the Casimir-Polder interaction between atom and mirror. In this context, we introduce an effective model describing the finite size of the atom in order to regularize the energy corrections. In addition, the modifications to the energy levels due to a hypothetical non-Newtonian gravitational potential as well as their experimental observability are investigated.

Thermal Casimir-Polder forces on a V-type three-level atom

NASA Astrophysics Data System (ADS)

Xu, Chen-Ran; Xu, Jing-Ping; Al-amri, M.; Zhu, Cheng-Jie; Xie, Shuang-Yuan; Yang, Ya-Ping

2017-09-01

We study the thermal Casimir-Polder (CP) forces on a V-type three-level atom. The competition between the thermal effect and the quantum interference of the two transition dipoles on the force is investigated. To shed light onto the role of the quantum interference, we analyze two kinds of initial states of the atom, i.e., the superradiant state and the subradiant state. Considering the atom being in the thermal reservoir, the resonant CP force arising from the real photon emission dominates in the evolution of the CP force. Under the zero-temperature condition, the quantum interference can effectively modify the amplitude and the evolution of the force, leading to a long-time force or even the cancellation of the force. Our results reveal that in the finite-temperature case, the thermal photons can enhance the amplitude of all force elements, but have no influence on the net resonant CP force in the steady state, which means that the second law of thermodynamics still works. For the ideal degenerate V-type atom with parallel dipoles under the initial subradiant state, the robust destructive quantum interference overrides the thermal fluctuations, leading to the trapping of the atom in the subradiant state and the disappearance of the CP force. However, in terms of a realistic Zeeman atom, the thermal photons play a significant role during the evolution of the CP force. The thermal fluctuations can enhance the amplitude of the initial CP force by increasing the temperature, and weaken the influence of the quantum interference on the evolution of the CP force from the initial superradiant (subradiant) state to the steady state.

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Fu, Yao; Song, Jeong-Hoon

2014-08-01

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifies the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.

Initial atomic coherences and Ramsey frequency pulling in fountain clocks

NASA Astrophysics Data System (ADS)

Gerginov, Vladislav; Nemitz, Nils; Weyers, Stefan

2014-09-01

In the uncertainty budget of primary atomic cesium fountain clocks, evaluations of frequency-pulling shifts of the hyperfine clock transition caused by unintentional excitation of its nearby transitions (Rabi and Ramsey pulling) have been based so far on an approach developed for cesium beam clocks. We re-evaluate this type of frequency pulling in fountain clocks and pay particular attention to the effect of initial coherent atomic states. We find significantly enhanced frequency shifts caused by Ramsey pulling due to sublevel population imbalance and corresponding coherences within the state-selected hyperfine component of the initial atom ground state. Such shifts are experimentally investigated in an atomic fountain clock and quantitative agreement with the predictions of the model is demonstrated.

Coupled channel effects on resonance states of positronic alkali atom

NASA Astrophysics Data System (ADS)

Yamashita, Takuma; Kino, Yasushi

2018-01-01

S-wave Feshbach resonance states belonging to dipole series in positronic alkali atoms (e+Li, e+Na, e+K, e+Rb and e+Cs) are studied by coupled-channel calculations within a three-body model. Resonance energies and widths below a dissociation threshold of alkali-ion and positronium are calculated with a complex scaling method. Extended model potentials that provide positronic pseudo-alkali-atoms are introduced to investigate the relationship between the resonance states and dissociation thresholds based on a three-body dynamics. Resonances of the dipole series below a dissociation threshold of alkali-atom and positron would have some associations with atomic energy levels that results in longer resonance lifetimes than the prediction of the analytical law derived from the ion-dipole interaction.

Quantum theory of phonon-mediated decoherence and relaxation of two-level systems in a structured electromagnetic reservoir

NASA Astrophysics Data System (ADS)

Roy, Chiranjeeb

In this thesis we study the role of nonradiative degrees of freedom on quantum optical properties of mesoscopic quantum dots placed in the structured electromagnetic reservoir of a photonic crystal. We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption lineshape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the "colored" electromagnetic vacuum of a photonic band gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. Phonon sidebands in an ordinary electromagnetic reservoir are recaptured in a simple model of optical phonons using a mean-field factorization of the atomic and lattice displacement operators. Our formalism is then used to treat the non-Markovian dynamics of the same system within the structured electromagnetic density of states of a photonic crystal. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to enhanced lifetime of a photon-atom bound state in a PBG by (i) dephasing and reducing the transition electric dipole moment of the atom and (ii) reducing the quantum mechanical overlap of the state vectors of the excited and ground state (polaronic shift). This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (break-up of phonons into lower energy phonons) and purely nonradiative decay. We demonstrate how these additional damping effects limit the extent of the polaronic (Franck-Condon) shift of the atomic excited state. We also derive the modified polarization decay and dephasing rates in the presence of such damping. This leads to a microscopic, quantum theory of the optical absorption lineshapes. Our model and formalism provide a starting point for describing dephasing and relaxation in the presence of external coherent fields and multiple quantum dot interactions in electromagnetic reservoirs with radiative memory effects.

Steady-state entanglement in levitated optomechanical systems coupled to a higher order excited atomic ensemble

NASA Astrophysics Data System (ADS)

Chen, Aixi; Nie, Wenjie; Li, Ling; Zeng, Wei; Liao, Qinghong; Xiao, Xianbo

2017-11-01

We investigate the steady-state entanglement in an optomechanical system with a levitated dielectric nanosphere and a higher order excited atomic ensemble. The single nanosphere is trapped by an external harmonic dipole trap and coupled to the single-mode cavity field by the effective optomechanical coupling, which depends on the steady-state position of the nanosphere. We show that the steady-state optomechanical entanglement can be generated via the effective optomechanical interaction between the mechanical motion and the cavity mode. Further, these exist an optimal effective cavity detuning that maximizes the optomechanical entanglement. We also analyze in detail the influences of the excitation number of atoms, the radius of the nanosphere and the thermal noise strength on the steady-state optomechanical entanglement. It is found that the steady-state entanglement can be enhanced by increasing the excitation number of atoms and the radius of the nanosphere.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schlagmüller, Michael; Liebisch, Tara Cubel; Engel, Felix

Within a dense environment (ρ ≈ 10 14 atoms/cm 3) at ultracold temperatures (T < 1 μK), a single atom excited to a Rydberg state acts as a reaction center for surrounding neutral atoms. At these temperatures, almost all neutral atoms within the Rydberg orbit are bound to the Rydberg core and interact with the Rydberg atom. We have studied the reaction rate and products for nS 87Rb Rydberg states, and we mainly observe a state change of the Rydberg electron to a high orbital angular momentum l, with the released energy being converted into kinetic energy of the Rydberg atom. Unexpectedly, the measurements show a threshold behavior at n ≈ 100 for the inelastic collision time leading to increased lifetimes of the Rydberg state independent of the densities investigated. Even at very high densities (ρ ≈ 4.8 x 10 14 cm -3), the lifetime of a Rydberg atom exceeds 10 μs at n > 140 compared to 1 μs at n = 90. In addition, a second observed reaction mechanism, namely, Rbmore » $$+\\atop{2}$$ molecule formation, was studied. Both reaction products are equally probable for n = 40, but the fraction of Rb + 2 created drops to below 10% for n ≥ 90.« less

Steady state quantum discord for circularly accelerated atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jiawei, E-mail: hujiawei@nbu.edu.cn; Yu, Hongwei, E-mail: hwyu@hunnu.edu.cn; Synergetic Innovation Center for Quantum Effects and Applications, Hunan Normal University, Changsha, Hunan 410081

2015-12-15

We study, in the framework of open quantum systems, the dynamics of quantum entanglement and quantum discord of two mutually independent circularly accelerated two-level atoms in interaction with a bath of fluctuating massless scalar fields in the Minkowski vacuum. We assume that the two atoms rotate synchronically with their separation perpendicular to the rotating plane. The time evolution of the quantum entanglement and quantum discord of the two-atom system is investigated. For a maximally entangled initial state, the entanglement measured by concurrence diminishes to zero within a finite time, while the quantum discord can either decrease monotonically to an asymptoticmore » value or diminish to zero at first and then followed by a revival depending on whether the initial state is antisymmetric or symmetric. When both of the two atoms are initially excited, the generation of quantum entanglement shows a delayed feature, while quantum discord is created immediately. Remarkably, the quantum discord for such a circularly accelerated two-atom system takes a nonvanishing value in the steady state, and this is distinct from what happens in both the linear acceleration case and the case of static atoms immersed in a thermal bath.« less

Equation of state and Helmholtz free energy for the atomic system of the repulsive Lennard-Jones particles.

PubMed

Mirzaeinia, Ali; Feyzi, Farzaneh; Hashemianzadeh, Seyed Majid

2017-12-07

Simple and accurate expressions are presented for the equation of state (EOS) and absolute Helmholtz free energy of a system composed of simple atomic particles interacting through the repulsive Lennard-Jones potential model in the fluid and solid phases. The introduced EOS has 17 and 22 coefficients for fluid and solid phases, respectively, which are regressed to the Monte Carlo (MC) simulation data over the reduced temperature range of 0.6≤T * ≤6.0 and the packing fraction range of 0.1 ≤ η ≤ 0.72. The average absolute relative percent deviation in fitting the EOS parameters to the MC data is 0.06 and 0.14 for the fluid and solid phases, respectively. The thermodynamic integration method is used to calculate the free energy using the MC simulation results. The Helmholtz free energy of the ideal gas is employed as the reference state for the fluid phase. For the solid phase, the values of the free energy at the reduced density equivalent to the close-packed of a hard sphere are used as the reference state. To check the validity of the predicted values of the Helmholtz free energy, the Widom particle insertion method and the Einstein crystal technique of Frenkel and Ladd are employed. The results obtained from the MC simulation approaches are well agreed to the EOS results, which show that the proposed model can reliably be utilized in the framework of thermodynamic theories.

Equation of state and Helmholtz free energy for the atomic system of the repulsive Lennard-Jones particles

NASA Astrophysics Data System (ADS)

Mirzaeinia, Ali; Feyzi, Farzaneh; Hashemianzadeh, Seyed Majid

2017-12-01

Simple and accurate expressions are presented for the equation of state (EOS) and absolute Helmholtz free energy of a system composed of simple atomic particles interacting through the repulsive Lennard-Jones potential model in the fluid and solid phases. The introduced EOS has 17 and 22 coefficients for fluid and solid phases, respectively, which are regressed to the Monte Carlo (MC) simulation data over the reduced temperature range of 0.6 ≤T*≤6.0 and the packing fraction range of 0.1 ≤ η ≤ 0.72. The average absolute relative percent deviation in fitting the EOS parameters to the MC data is 0.06 and 0.14 for the fluid and solid phases, respectively. The thermodynamic integration method is used to calculate the free energy using the MC simulation results. The Helmholtz free energy of the ideal gas is employed as the reference state for the fluid phase. For the solid phase, the values of the free energy at the reduced density equivalent to the close-packed of a hard sphere are used as the reference state. To check the validity of the predicted values of the Helmholtz free energy, the Widom particle insertion method and the Einstein crystal technique of Frenkel and Ladd are employed. The results obtained from the MC simulation approaches are well agreed to the EOS results, which show that the proposed model can reliably be utilized in the framework of thermodynamic theories.

Defect-suppressed atomic crystals in an optical lattice.

PubMed

Rabl, P; Daley, A J; Fedichev, P O; Cirac, J I; Zoller, P

2003-09-12

We present a coherent filtering scheme which dramatically reduces the site occupation number defects for atoms in an optical lattice by transferring a chosen number of atoms to a different internal state via adiabatic passage. With the addition of superlattices it is possible to engineer states with a specific number of atoms per site (atomic crystals), which are required for quantum computation and the realization of models from condensed matter physics, including doping and spatial patterns. The same techniques can be used to measure two-body spatial correlation functions.

Rydberg interaction induced enhanced excitation in thermal atomic vapor.

PubMed

Kara, Dushmanta; Bhowmick, Arup; Mohapatra, Ashok K

2018-03-27

We present the experimental demonstration of interaction induced enhancement in Rydberg excitation or Rydberg anti-blockade in thermal atomic vapor. We have used optical heterodyne detection technique to measure Rydberg population due to two-photon excitation to the Rydberg state. The anti-blockade peak which doesn't satisfy the two-photon resonant condition is observed along with the usual two-photon resonant peak which can't be explained using the model with non-interacting three-level atomic system. A model involving two interacting atoms is formulated for thermal atomic vapor using the dressed states of three-level atomic system to explain the experimental observations. A non-linear dependence of vapor density is observed for the anti-blockade peak which also increases with increase in principal quantum number of the Rydberg state. A good agreement is found between the experimental observations and the proposed interacting model. Our result implies possible applications towards quantum logic gates using Rydberg anti-blockade in thermal atomic vapor.

Last results of DIRAC experiment on study hadronic hydrogen-like atoms at PS CERN

NASA Astrophysics Data System (ADS)

Afanasyev, Leonid

2016-04-01

Results on study the hydrogen-like atoms consisting of charged pions and Kaons are presented. The first measurement of K+ π and Kπ+ atoms lifetime was fulfilled basing on identification of 178 ± 49 Kπ pairs from the atom breakup. The measured lifetime is τ = (2.5-1.8+3.0) fs. This value is dictated by properties of the strong πK-interaction at low energy, namely S-wave πK scattering length. The first experimental value of the isospin-odd combination of S-wave πK scattering length was obtained | a0- | =1/3 |a/2 -a3/2 | = (0.11-0.04+0.09) Mπ-1 (ai for isospin I). A dedicated experiment with π+ π atoms allows further study of these already observed atoms. The preliminary results on observation of the long-lived (metastable) states of π+ π atoms are presented. The observation of long-lived states opens the possibility to measure the energy difference between ns and np states - the Lamb shift.

Atom-Dependent Edge-Enhanced Second-Harmonic Generation on MoS2 Monolayers.

PubMed

Lin, Kuang-I; Ho, Yen-Hung; Liu, Shu-Bai; Ciou, Jian-Jhih; Huang, Bo-Ting; Chen, Christopher; Chang, Han-Ching; Tu, Chien-Liang; Chen, Chang-Hsiao

2018-02-14

Edge morphology and lattice orientation of single-crystal molybdenum disulfide (MoS 2 ) monolayers, a transition metal dichalcogenide (TMD), possessing a triangular shape with different edges grown by chemical vapor deposition are characterized by atomic force microscopy and transmission electron microscopy. Multiphoton laser scanning microscopy is utilized to study one-dimensional atomic edges of MoS 2 monolayers with localized midgap electronic states, which result in greatly enhanced optical second-harmonic generation (SHG). Microscopic S-zigzag edge and S-Mo Klein edge (bare Mo atoms protruding from a S-zigzag edge) terminations and the edge-atom dependent resonance energies can therefore be deduced based on SHG images. Theoretical calculations based on density functional theory clearly explain the lower energy of the S-zigzag edge states compared to the corresponding S-Mo Klein edge states. Characterization of the atomic-scale variation of edge-enhanced SHG is a step forward in this full-optical and high-yield technique of atomic-layer TMDs.

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

NASA Astrophysics Data System (ADS)

Dahms, Rainer N.

2016-04-01

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.

The reaction efficiency of thermal energy oxygen atoms with polymeric materials

NASA Technical Reports Server (NTRS)

Koontz, S. L.; Nordine, Paul

1990-01-01

The reaction efficiency of several polymeric materials with thermal-energy (0.04 eV translational energy), ground-state (O3P) oxygen atoms was determined by exposing the materials to a room temperature gas containing a known concentration of atomic oxygen. The reaction efficiency measurements were conducted in two flowing afterglow systems of different configuration. Atomic oxygen concentration measurements, flow, transport and surface dose analysis is presented in this paper. The measured reaction efficiencies of Kapton, Mylar, polyethylene, D4-polyethylene and Tedlar are .001 to .0001 those determined with high-energy ground-state oxygen atoms in low earth orbit or in a high-velocity atom beam. D4-polyethylene exhibits a large kinetic isotope effect with atomic oxygen at thermal but not hyperthermal atom energies.

Modulation of ENA in the heliosphere

NASA Astrophysics Data System (ADS)

Bzowski, Maciej; Kubiak, Marzena; Czechowski, Andrzej

Energetic Neutral Atoms (ENA), an important part of heliospheric physics, have recently en-joyed an increased interest because of the breakthrough observations by the NASA SMEX mission IBEX. Generally, ENA appear as a product of charge exchange reaction between an energetic ion and a neutral gas atom. Being insensitive to electromagnetic forces, ENA run away freely from their birth sites and can carry information on the physical state of the parent plasma on (somewhat energy-dependent) distances well in excess of 100 AU. The ENA fluxes exhibit modulation due to time variations of their source function due to modulation of solar wind on time scales from days to solar cycle and due to large-scale variation in the latitude structure of the solar wind, as well as to the variations in the loss rate due to re-ionization. Once created, the ENA flux suffers losses mostly due to photoionization by solar EUV photons, but also to charge exchange and electron impact. We will review the variation of survival prob-ability of the ENA created in the inner heliosheath and observed by spacecraft on Mars, Earth, and Venus orbits (like Mars Express, IBEX, and Venus Express) and solar-cycle modulation of the radially-expanding spectral flux of ENA consisting of the solar wind protons and alpha particles transcharged on the neutral interstellar gas inside the heliosphere.

Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohtori, Norikazu, E-mail: ohtori@chem.sc.niigata-u.ac.jp; Ishii, Yoshiki

Explicit expressions of the self-diffusion coefficient, D{sub i}, and shear viscosity, η{sub sv}, are presented for Lennard-Jones (LJ) binary mixtures in the liquid states along the saturated vapor line. The variables necessary for the expressions were derived from dimensional analysis of the properties: atomic mass, number density, packing fraction, temperature, and the size and energy parameters used in the LJ potential. The unknown dependence of the properties on each variable was determined by molecular dynamics (MD) calculations for an equimolar mixture of Ar and Kr at the temperature of 140 K and density of 1676 kg m{sup −3}. The scalingmore » equations obtained by multiplying all the single-variable dependences can well express D{sub i} and η{sub sv} evaluated by the MD simulation for a whole range of compositions and temperatures without any significant coupling between the variables. The equation for D{sub i} can also explain the dual atomic-mass dependence, i.e., the average-mass and the individual-mass dependence; the latter accounts for the “isotope effect” on D{sub i}. The Stokes-Einstein (SE) relation obtained from these equations is fully consistent with the SE relation for pure LJ liquids and that for infinitely dilute solutions. The main differences from the original SE relation are the presence of dependence on the individual mass and on the individual energy parameter. In addition, the packing-fraction dependence turned out to bridge another gap between the present and original SE relations as well as unifying the SE relation between pure liquids and infinitely dilute solutions.« less

Preparation of Greenberger-Horne-Zeilinger Entangled States in the Atom-Cavity Systems

NASA Astrophysics Data System (ADS)

Xu, Nan

2018-02-01

We present a new simple scheme for the preparation of Greenberger-Horne-Zeilinger maximally entangled states of two two-level atoms. The distinct feature of the effective Hamiltonian is that there is no energy exchange between the atoms and the cavity.. Thus the scheme is insensitive to the effect of cavity field and the atom radiation.This protocol may be realizable in the realm of current physical experiment.

Improvement of an Atomic Clock using Squeezed Vacuum

NASA Astrophysics Data System (ADS)

Kruse, I.; Lange, K.; Peise, J.; Lücke, B.; Pezzè, L.; Arlt, J.; Ertmer, W.; Lisdat, C.; Santos, L.; Smerzi, A.; Klempt, C.

2016-09-01

Since the pioneering work of Ramsey, atom interferometers are employed for precision metrology, in particular to measure time and to realize the second. In a classical interferometer, an ensemble of atoms is prepared in one of the two input states, whereas the second one is left empty. In this case, the vacuum noise restricts the precision of the interferometer to the standard quantum limit (SQL). Here, we propose and experimentally demonstrate a novel clock configuration that surpasses the SQL by squeezing the vacuum in the empty input state. We create a squeezed vacuum state containing an average of 0.75 atoms to improve the clock sensitivity of 10000 atoms by 2.05-0.37 +0 .34 dB . The SQL poses a significant limitation for today's microwave fountain clocks, which serve as the main time reference. We evaluate the major technical limitations and challenges for devising a next generation of fountain clocks based on atomic squeezed vacuum.

Coherent all-optical control of ultracold atoms arrays in permanent magnetic traps.

PubMed

Abdelrahman, Ahmed; Mukai, Tetsuya; Häffner, Hartmut; Byrnes, Tim

2014-02-10

We propose a hybrid architecture for quantum information processing based on magnetically trapped ultracold atoms coupled via optical fields. The ultracold atoms, which can be either Bose-Einstein condensates or ensembles, are trapped in permanent magnetic traps and are placed in microcavities, connected by silica based waveguides on an atom chip structure. At each trapping center, the ultracold atoms form spin coherent states, serving as a quantum memory. An all-optical scheme is used to initialize, measure and perform a universal set of quantum gates on the single and two spin-coherent states where entanglement can be generated addressably between spatially separated trapped ultracold atoms. This allows for universal quantum operations on the spin coherent state quantum memories. We give detailed derivations of the composite cavity system mediated by a silica waveguide as well as the control scheme. Estimates for the necessary experimental conditions for a working hybrid device are given.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

PubMed

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Cooperative scattering and radiation pressure force in dense atomic clouds

NASA Astrophysics Data System (ADS)

Bachelard, R.; Piovella, N.; Courteille, Ph. W.

2011-07-01

Atomic clouds prepared in “timed Dicke” states, i.e. states where the phase of the oscillating atomic dipole moments linearly varies along one direction of space, are efficient sources of superradiant light emission [Scully , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.96.010501 96, 010501 (2006)]. Here, we show that, in contrast to previous assertions, timed Dicke states are not the states automatically generated by incident laser light. In reality, the atoms act back on the driving field because of the finite refraction of the cloud. This leads to nonuniform phase shifts, which, at higher optical densities, dramatically alter the cooperative scattering properties, as we show by explicit calculation of macroscopic observables, such as the radiation pressure force.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

NASA Astrophysics Data System (ADS)

Papior, Nick R.; Calogero, Gaetano; Brandbyge, Mads

2018-06-01

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C60). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Vector dark matter detection using the quantum jump of atoms

NASA Astrophysics Data System (ADS)

Yang, Qiaoli; Di, Haoran

2018-05-01

The hidden sector U(1) vector bosons created from inflationary fluctuations can be a substantial fraction of dark matter if their mass is around 10-5 eV. The creation mechanism makes the vector bosons' energy spectral density ρcdm / ΔE very high. Therefore, the dark electric dipole transition rate in atoms is boosted if the energy gap between atomic states equals the mass of the vector bosons. By using the Zeeman effect, the energy gap between the 2S state and the 2P state in hydrogen atoms or hydrogen like ions can be tuned. The 2S state can be populated with electrons due to its relatively long life, which is about 1/7 s. When the energy gap between the semi-ground 2S state and the 2P state matches the mass of the cosmic vector bosons, induced transitions occur and the 2P state subsequently decays into the 1S state. The 2 P → 1 S decay emitted Lyman-α photons can then be registered. The choices of target atoms depend on the experimental facilities and the mass ranges of the vector bosons. Because the mass of the vector boson is connected to the inflation scale, the proposed experiment may provide a probe to inflation.

Influence of the State of the Tungsten Tip on STM Topographic Images of SnSe Surfaces

NASA Astrophysics Data System (ADS)

Ly, Trinh Thi; Kim, Jungdae

2018-03-01

Tin selenide (SnSe) has recently attracted significant attention because of its excellent thermoelectric properties with a figure of merit (ZT) of 2.6. Previous scanning tunneling microscopy (STM) studies of SnSe surfaces showed that only Sn atoms are resolved in topographic images due to the dominant contribution of the Sn 5 p z states in tunneling. However, when the state of the tungsten (W) tip changes from a typical four-lobe d state such as d xy or {d_{{x^2} - {y^2}}} to a two-lobe {d_{{z^2}}} state, the atomic features observed on the SnSe surface in STM topography can be dramatically altered. In this report, we present the results of a systematic study on the influence of the W tip's states on the STM images of SnSe surfaces. Sn atoms are observed with much stronger corrugation amplitude and smaller apparent radius when the tip is in a {d_{{z^2}}} state. In addition, the atomic features of the Se atoms become visible because of the sharply focused shape of the W {d_{{z^2}}} state. We expect our results to provide important information for establishing a better understanding of the microscopic nature of SnSe surfaces.

Resonance interatomic energy in a Schwarzschild spacetime

NASA Astrophysics Data System (ADS)

Zhou, Wenting; Yu, Hongwei

2017-08-01

We study, in the Schwarzschild spacetime, the resonance interatomic energy (RIE) of two static identical atoms with an interatomic separation L along the radial direction and correlated by a symmetric/antisymmetric entangled state. The atoms are assumed to be coupled to massless scalar fields in the Boulware, Unruh, and Hartle-Hawking vacua, and approximate analytical results are obtained both at infinity and near the horizon. Our results show that at infinity, the RIE approaches that in a flat spacetime, while, near the horizon, they can deviate dramatically from each other. Besides, different from other atomic radiative properties such as the Lamb shift of a single atom or the interatomic energy between two uncorrelated atoms, which can be obviously affected by the thermal character of quantum fields, the RIE of two atoms in a symmetric/antisymmetric entangled state in the Boulware, Unruh, and Hartle-Hawking vacua are exactly the same as a result of the fact that the RIE of two such atoms depends only on the atomic self-reaction, i.e., it does not feel the vacuum fluctuations. This suggests that the RIE of two static atoms in a symmetric/antisymmetric entangled state outside a black hole is oblivious to the Hawking radiation, in contrast to those uncorrelated atoms.

Generalizing Atoms in Constraint Logic

NASA Technical Reports Server (NTRS)

Page, C. David, Jr.; Frisch, Alan M.

1991-01-01

This paper studies the generalization of atomic formulas, or atoms, that are augmented with constraints on or among their terms. The atoms may also be viewed as definite clauses whose antecedents express the constraints. Atoms are generalized relative to a body of background information about the constraints. This paper first examines generalization of atoms with only monadic constraints. The paper develops an algorithm for the generalization task and discusses algorithm complexity. It then extends the algorithm to apply to atoms with constraints of arbitrary arity. The paper also presents semantic properties of the generalizations computed by the algorithms, making the algorithms applicable to such problems as abduction, induction, and knowledge base verification. The paper emphasizes the application to induction and presents a pac-learning result for constrained atoms.

75 FR 7337 - Certifications Pursuant to Section 104 of the United States-India Nuclear Cooperation Approval...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-19

... Agreement Between India and the International Atomic Energy Agency Memorandum for the Secretary of State... Government of India and the International Atomic Energy Agency for the Application of Safeguards to Civilian Nuclear Facilities, as approved by the Board of Governors of the International Atomic Energy Agency on...

Variable energy, high flux, ground-state atomic oxygen source

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

1987-01-01

A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

Dynamics of entropy and nonclassical properties of the state of a Λ-type three-level atom interacting with a single-mode cavity field with intensity-dependent coupling in a Kerr medium

NASA Astrophysics Data System (ADS)

Faghihi, M. J.; Tavassoly, M. K.

2012-02-01

In this paper, we study the interaction between a three-level atom and a quantized single-mode field with ‘intensity-dependent coupling’ in a ‘Kerr medium’. The three-level atom is considered to be in a Λ-type configuration. Under particular initial conditions, which may be prepared for the atom and the field, the dynamical state vector of the entire system will be explicitly obtained, for the arbitrary nonlinearity function f(n) associated with any physical system. Then, after evaluating the variation of the field entropy against time, we will investigate the quantum statistics as well as some of the nonclassical properties of the introduced state. During our calculations we investigate the effects of intensity-dependent coupling, Kerr medium and detuning parameters on the depth and domain of the nonclassicality features of the atom-field state vector. Finally, we compare our obtained results with those of V-type three-level atoms.

Thermochemistry is not a lower bound to the activation energy of endothermic reactions: a kinetic study of the gas-phase reaction of atomic chlorine with ammonia.

PubMed

Gao, Yide; Alecu, I M; Hsieh, P-C; Morgan, Brad P; Marshall, Paul; Krasnoperov, Lev N

2006-06-01

The rate constant for Cl + NH3 --> HCl + NH2 has been measured over 290-570 K by the time-resolved resonance fluorescence technique. Ground-state Cl atoms were generated by 193 nm excimer laser photolysis of CCl4 and reacted under pseudo-first-order conditions with excess NH3. The forward rate constant was fit by the expression k1 = (1.08 +/- 0.05) x 10(-11) exp(-11.47 +/- 0.16 kJ mol(-1)/RT) cm3 molecule(-1) s(-1), where the uncertainties in the Arrhenius parameters are +/-1 sigma and the 95% confidence limits for k1 are +/-11%. To rationalize the activation energy, which is 7.4 kJ mol(-1) below the endothermicity in the middle of the 1/T range, the potential energy surface was characterized with MPWB1K/6-31++G(2df,2p) theory. The products NH2 + HCl form a hydrogen-bonded adduct, separated from Cl + NH3 by a transition state lower in energy than the products. The rate constant for the reverse process k(-1) was derived via modified transition state theory, and the computed k(-1) exhibits a negative activation energy, which in combination with the experimental equilibrium constant yields k1 in fair accord with experiment.

Remote state preparation through hyperentangled atomic states

NASA Astrophysics Data System (ADS)

Nawaz, Mehwish; ul-Islam, Rameez-; Ikram, Manzoor

2018-04-01

Hyperentangled states have enhanced channel capacity in quantum processing and have yielded` evident increased communication speed in quantum informatics as a consequence of excessively high information content coded over each quantum entity. In the present article, we intend to demonstrate this fact by utilizing atomic states simultaneously entangled both in internal as well as external degrees of freedom, i.e. the de Broglie motion for remote state preparation (RSP). The results clearly demonstrate that we can efficiently communicate two bit information while manipulating only a single quantum subsystem. The states are prepared and manipulated using atomic Bragg diffraction as well as Ramsey interferometry, both of which are now considered as standard, state of the art tools based on cavity quantum electrodynamics. Since atomic Bragg diffraction is a large interaction time regime and produces spatially well separated, decoherence resistant outputs, the schematics presented here for the RSP offer important perspectives on efficient detection as well as unambiguous information coding and readout. The article summarizes the experimental feasibility of the proposal, culminating with a brief discussion.

Cold Rydberg atoms in circular states

NASA Astrophysics Data System (ADS)

Anderson, David; Schwarzkopf, Andrew; Raithel, Georg

2012-06-01

Circular-state Rydberg atoms are interesting in that they exhibit a unique combination of extraordinary properties; long lifetimes (˜n^5), large magnetic moments (l=|m|=n-1) and no first order Stark shift. Circular states have found applications in cavity quantum electrodynamics and precision measurements [1,2], among other studies. In this work we present the production of circular states in an atom trapping apparatus using an adiabatic state-switching method (the crossed-field method [3]). To date, we have observed lifetimes of adiabatically prepared states of several milliseconds. Their relatively large ionization electric fields have been verified by time-of-flight signatures of ion trajectories. We intend to explore the magnetic trapping of circular state Rydberg atoms, as well as their production and interaction properties in ultra-cold and degenerate samples.[4pt] [1] P. Bertet et al., Phys. Rev. Lett., 88, 14 (2002)[0pt] [2] M. Brune et al., Phys. Rev. Lett., 72, 21 (1994)[0pt] [3] D. Delande and J.C. Gay, Europhys. Lett., 5, 303-308 (1988).

Formation of Triplet Positron-helium Bound State by Stripping of Positronium Atoms in Collision with Ground State Helium

NASA Technical Reports Server (NTRS)

Drachman, Richard J.

2006-01-01

Formation of triplet positron-helium bound state by stripping of positronium atoms in collision with ground state helium JOSEPH DI RlENZI, College of Notre Dame of Maryland, RICHARD J. DRACHMAN, NASA/Goddard Space Flight Center - The system consisting of a positron and a helium atom in the triplet state e(+)He(S-3)(sup e) was conjectured long ago to be stable [1]. Its stability has recently been established rigorously [2], and the values of the energies of dissociation into the ground states of Ps and He(+) have also been reported [3] and [4]. We have evaluated the cross-section for this system formed by radiative attachment of a positron in triplet He state and found it to be small [5]. The mechanism of production suggested here should result in a larger cross-section (of atomic size) which we are determining using the Born approximation with simplified initial and final wave functions.

Potential scattering in the presence of a static magnetic field and a radiation field of arbitrary polarization

NASA Astrophysics Data System (ADS)

Ferrante, G.; Zarcone, M.; Nuzzo, S.; McDowell, M. R. C.

1982-05-01

Expressions are obtained for the total cross sections for scattering of a charged particle by a potential in the presence of a static uniform magnetic field and a radiation field of arbitrary polarization. For a Coulomb field this is closely related to the time reverse of photoionization of a neutral atom in a magnetic field, including multiphoton effects off-resonance. The model is not applicable when the radiation energy approaches one of the quasi-Landau state separations. The effects of radiation field polarization are examined in detail.

Standard deviations of composition measurements in atom probe analyses. Part I conventional 1D atom probe.

PubMed

Danoix, F; Grancher, G; Bostel, A; Blavette, D

2007-09-01

Atom probe is a very powerful instrument to measure concentrations on a sub nanometric scale [M.K. Miller, G.D.W. Smith, Atom Probe Microanalysis, Principles and Applications to Materials Problems, Materials Research Society, Pittsburgh, 1989]. Atom probe is therefore a unique tool to study and characterise finely decomposed metallic materials. Composition profiles or 3D mapping can be realised by gathering elemental composition measurements. As the detector efficiency is generally not equal to 1, the measured compositions are only estimates of actual values. The variance of the estimates depends on which information is to be estimated. It can be calculated when the detection process is known. These two papers are devoted to give complete analytical derivation and expressions of the variance on composition measurements in several situations encountered when using atom probe. In the first paper, we will concentrate on the analytical derivation of the variance when estimation of compositions obtained from a conventional one dimension (1D) atom probe is considered. In particular, the existing expressions, and the basic hypotheses on which they rely, will be reconsidered, and complete analytical demonstrations established. In the second companion paper, the case of 3D atom probe will be treated, highlighting how the knowledge of the 3D position of detected ions modifies the analytical derivation of the variance of local composition data.

ISOTROPIC INELASTIC COLLISIONS IN A MULTITERM ATOM WITH HYPERFINE STRUCTURE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belluzzi, Luca; Landi Degl’Innocenti, Egidio; Bueno, Javier Trujillo

2015-10-10

A correct modeling of the scattering polarization profiles observed in some spectral lines of diagnostic interest, the sodium doublet being one of the most important examples, requires taking hyperfine structure (HFS) and quantum interference between different J-levels into account. An atomic model suitable for taking these physical ingredients into account is the so-called multiterm atom with HFS. In this work, we introduce and study the transfer and relaxation rates due to isotropic inelastic collisions with electrons, which enter the statistical equilibrium equations (SEE) for the atomic density matrix of this atomic model. Under the hypothesis that the electron–atom interaction ismore » described by a dipolar operator, we provide useful relations between the rates describing the transfer and relaxation of quantum interference between different levels (whose numerical values are in most cases unknown) and the usual rates for the atomic level populations, for which experimental data and/or approximate theoretical expressions are generally available. For the particular case of a two-term atom with HFS, we present an analytical solution of the SEE for the spherical statistical tensors of the upper term, including both radiative and collisional processes, and we derive the expression of the emission coefficient in the four Stokes parameters. Finally, an illustrative application to the Na i D{sub 1} and D{sub 2} lines is presented.« less

Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition

NASA Astrophysics Data System (ADS)

Sun, Shuhui; Zhang, Gaixia; Gauquelin, Nicolas; Chen, Ning; Zhou, Jigang; Yang, Songlan; Chen, Weifeng; Meng, Xiangbo; Geng, Dongsheng; Banis, Mohammad N.; Li, Ruying; Ye, Siyu; Knights, Shanna; Botton, Gianluigi A.; Sham, Tsun-Kong; Sun, Xueliang

2013-05-01

Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle. The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the excellent performance. This work is anticipated to form the basis for the exploration of a next generation of highly efficient single-atom catalysts for various applications.

Visualising reacting single atoms under controlled conditions: Advances in atomic resolution in situ Environmental (Scanning) Transmission Electron Microscopy (E(S)TEM)

NASA Astrophysics Data System (ADS)

Boyes, Edward D.; Gai, Pratibha L.

2014-02-01

Advances in atomic resolution Environmental (Scanning) Transmission Electron Microscopy (E(S)TEM) for probing gas-solid catalyst reactions in situ at the atomic level under controlled reaction conditions of gas environment and temperature are described. The recent development of the ESTEM extends the capability of the ETEM by providing the direct visualisation of single atoms and the atomic structure of selected solid state heterogeneous catalysts in their working states in real-time. Atomic resolution E(S)TEM provides a deeper understanding of the dynamic atomic processes at the surface of solids and their mechanisms of operation. The benefits of atomic resolution-E(S)TEM to science and technology include new knowledge leading to improved technological processes with substantial economic benefits, improved healthcare, reductions in energy needs and the management of environmental waste generation. xml:lang="fr"

Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition

PubMed Central

Sun, Shuhui; Zhang, Gaixia; Gauquelin, Nicolas; Chen, Ning; Zhou, Jigang; Yang, Songlan; Chen, Weifeng; Meng, Xiangbo; Geng, Dongsheng; Banis, Mohammad N.; Li, Ruying; Ye, Siyu; Knights, Shanna; Botton, Gianluigi A.; Sham, Tsun-Kong; Sun, Xueliang

2013-01-01

Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle. The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the excellent performance. This work is anticipated to form the basis for the exploration of a next generation of highly efficient single-atom catalysts for various applications.

Spontaneous emission near the edge of a photonic band gap

NASA Astrophysics Data System (ADS)

John, Sajeev; Quang, Tran

1994-08-01

The spectral and dynamical features of spontaneous emission from two and three-level atoms in which one transition frequency lay near the edge of a photonic band gap (PBG) were derived. These features included temporal oscillations, fractionalized steady-state atomic population on the excited state, spectral splitting and subnatural bandwidth. The effect of N-1 unexcited atoms were also taken into account. The direct consequences of photon localization as embodied in the photon-atom bound state were observed. One feasible experimental accomplishment of these effects may ensue from laser-cooled atoms in the void regions of a PBG medium. Another option is the application of an organic impurity molecule such as pentacene. Such molecules were known to show extremely narrow linewidths when placed in fitting solid hosts.

New Theoretical Developments in Exploring Electronically Excited States: Including Localized Configuration Interaction Singles and Application to Large Helium Clusters

NASA Astrophysics Data System (ADS)

Closser, Kristina Danielle

This thesis presents new developments in excited state electronic structure theory. Contrasted with the ground state, the electronically excited states of atoms and molecules often are unstable and have short lifetimes, exhibit a greater diversity of character and are generally less well understood. The very unusual excited states of helium clusters motivated much of this work. These clusters consist of large numbers of atoms (experimentally 103--109 atoms) and bands of nearly degenerate excited states. For an isolated atom the lowest energy excitation energies are from 1s → 2s and 1s → 2 p transitions, and in clusters describing the lowest energy band minimally requires four states per atom. In the ground state the clusters are weakly bound by van der Waals interactions, however in the excited state they can form well-defined covalent bonds. The computational cost of quantum chemical calculations rapidly becomes prohibitive as the size of the systems increase. Standard excited-state methods such as configuration interaction singles (CIS) and time-dependent density functional theory (TD-DFT) can be used with ≈100 atoms, and are optimized to treat only a few states. Thus, one of our primary aims is to develop a method which can treat these large systems with large numbers of nearly degenerate excited states. Additionally, excited states are generally formed far from their equilibrium structures. Vertical excitations from the ground state induce dynamics in the excited states. Thus, another focus of this work is to explore the results of these forces and the fate of the excited states. Very little was known about helium cluster excited states when this work began, thus we first investigated the excitations in small helium clusters consisting of 7 or 25 atoms using CIS. The character of these excited states was determined using attachment/detachment density analysis and we found that in the n = 2 manifold the excitations could generally be interpreted as superpositions of atomic states with surface states appearing close to the atomic excitation energies and interior states being blue shifted by up to ≈2 eV. The dynamics resulting from excitation of He_7 were subsequently explored using ab initio molecular dynamics (AIMD). These simulations were performed with classical adiabatic dynamics coupled to a new state-following algorithm on CIS potential energy surfaces. Most clusters were found to completely dissociate and resulted in a single excited atomic state (90%), however, some trajectories formed bound, He*2 (3%), and a few yielded excited trimers (<0.5%). Comparisons were made with available experimental information on much larger clusters. Various applications of this state following algorithm are also presented. In addition to AIMD, these include excited-state geometry optimization and minimal energy path finding via the growing string method. When using state following we demonstrate that more physical results can be obtained with AIMD calculations. Also, the optimized geometries of three excited states of cytosine, two of which were not found without state following, and the minimal energy path between the lowest two singlet excited states of protonated formaldimine are offered as example applications. Finally, to address large clusters, a local variation of CIS was developed. This method exploits the properties of absolutely localized molecular orbitals (ALMOs) to limit the total number of excitations to scaling only linearly with cluster size, which results in formal scaling with the third power of the system size. The derivation of the equations and design of the algorithm are discussed in detail, and computational timings as well as a pilot application to the size dependence of the helium cluster spectrum are presented.

Electron momentum density and Compton profile by a semi-empirical approach

NASA Astrophysics Data System (ADS)

Aguiar, Julio C.; Mitnik, Darío; Di Rocco, Héctor O.

2015-08-01

Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi-Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron-electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z=3-50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.

Analytical pair correlations in ideal quantum gases: temperature-dependent bunching and antibunching.

PubMed

Bosse, J; Pathak, K N; Singh, G S

2011-10-01

The fluctuation-dissipation theorem together with the exact density response spectrum for ideal quantum gases has been utilized to yield a new expression for the static structure factor, which we use to derive exact analytical expressions for the temperature-dependent pair distribution function g(r) of the ideal gases. The plots of bosonic and fermionic g(r) display "Bose pile" and "Fermi hole" typically akin to bunching and antibunching as observed experimentally for ultracold atomic gases. The behavior of spin-scaled pair correlation for fermions is almost featureless, but bosons show a rich structure including long-range correlations near T(c). The coherent state at T=0 shows no correlation at all, just like single-mode lasers. The depicted decreasing trend in correlation with decrease in temperature for T

Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

NASA Technical Reports Server (NTRS)

Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

2013-01-01

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

Quantum Optics Models of EIT Noise and Power Broadening

NASA Astrophysics Data System (ADS)

Snider, Chad; Crescimanno, Michael; O'Leary, Shannon

2011-04-01

When two coherent beams of light interact with an atom they tend to drive the atom to a non-absorbing state through a process called Electromagnetically Induced Transparency (EIT). If the light's frequency dithers, the atom's state stochastically moves in and out of this non-absorbing state. We describe a simple quantum optics model of this process that captures the essential experimentally observed statistical features of this EIT noise, with a particular emphasis on understanding power broadening.

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3.

PubMed

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J L; Zhong, Ruidan; Schneeloch, John A; Liu, Tiansheng; Valla, Tonica; Tranquada, John M; Gu, Genda; Davis, J C Séamus

2015-02-03

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a "Dirac-mass gap" in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship [Formula: see text] is confirmed throughout and exhibits an electron-dopant interaction energy J* = 145 meV·nm(2). These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3

PubMed Central

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J. L.; Zhong, Ruidan; Schneeloch, John A.; Liu, Tiansheng; Valla, Tonica; Tranquada, John M.; Gu, Genda; Davis, J. C. Séamus

2015-01-01

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm2. These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential. PMID:25605947

Descriptions and Implementations of DL_F Notation: A Natural Chemical Expression System of Atom Types for Molecular Simulations.

PubMed

Yong, Chin W

2016-08-22

DL_F Notation is an easy-to-understand, standardized atom typesetting expression for molecular simulations for a range of organic force field (FF) schemes such as OPLSAA, PCFF, and CVFF. It is implemented within DL_FIELD, a software program that facilitates the setting up of molecular FF models for DL_POLY molecular dynamics simulation software. By making use of the Notation, a single core conversion module (the DL_F conversion Engine) implemented within DL_FIELD can be used to analyze a molecular structure and determine the types of atoms for a given FF scheme. Users only need to provide the molecular input structure in a simple xyz format and DL_FIELD can produce the necessary force field file for DL_POLY automatically. In commensurate with the development concept of DL_FIELD, which placed emphasis on robustness and user friendliness, the Engine provides a single-step solution to setup complex FF models. This allows users to switch from one of the above-mentioned FF seamlessly to another while at the same time provides a consistent atom typing that is expressed in a natural chemical sense.

Analyses on hydrophobicity and attractiveness of all-atom distance-dependent potentials

PubMed Central

Shirota, Matsuyuki; Ishida, Takashi; Kinoshita, Kengo

2009-01-01

Accurate model evaluation is a crucial step in protein structure prediction. For this purpose, statistical potentials, which evaluate a model structure based on the observed atomic distance frequencies in comparison with those in reference states, have been widely used. The reference state is a virtual state where all of the atomic interactions are turned off, and it provides a standard to measure the observed frequencies. In this study, we examined seven all-atom distance-dependent potentials with different reference states. As results, we observed that the variations of atom pair composition and those of distance distributions in the reference states produced systematic changes in the hydrophobic and attractive characteristics of the potentials. The performance evaluations with the CASP7 structures indicated that the preference of hydrophobic interactions improved the correlation between the energy and the GDT-TS score, but decreased the Z-score of the native structure. The attractiveness of potential improved both the correlation and Z-score for template-based modeling targets, but the benefit was smaller in free modeling targets. These results indicated that the performances of the potentials were more strongly influenced by their characteristics than by the accuracy of the definitions of the reference states. PMID:19588493

Observation of entanglement of a single photon with a trapped atom.

PubMed

Volz, Jürgen; Weber, Markus; Schlenk, Daniel; Rosenfeld, Wenjamin; Vrana, Johannes; Saucke, Karen; Kurtsiefer, Christian; Weinfurter, Harald

2006-01-27

We report the observation of entanglement between a single trapped atom and a single photon at a wavelength suitable for low-loss communication over large distances, thereby achieving a crucial step towards long range quantum networks. To verify the entanglement, we introduce a single atom state analysis. This technique is used for full state tomography of the atom-photon qubit pair. The detection efficiency and the entanglement fidelity are high enough to allow in a next step the generation of entangled atoms at large distances, ready for a final loophole-free Bell experiment.

Atom-atom entanglement by single-photon detection.

PubMed

Slodička, L; Hétet, G; Röck, N; Schindler, P; Hennrich, M; Blatt, R

2013-02-22

A scheme for entangling distant atoms is realized, as proposed in the seminal paper by [C. Cabrillo et al., Phys. Rev. A 59, 1025 (1999)]. The protocol is based on quantum interference and detection of a single photon scattered from two effectively one meter distant laser cooled and trapped atomic ions. The detection of a single photon heralds entanglement of two internal states of the trapped ions with high rate and with a fidelity limited mostly by atomic motion. Control of the entangled state phase is demonstrated by changing the path length of the single-photon interferometer.

Angular distribution and polarization of atomic radiative emission in electric and magnetic fields

NASA Astrophysics Data System (ADS)

Jacobs, V. L.; Filuk, A. B.

1999-09-01

A density-matrix approach has been developed for the angular distribution and polarization of radiative emission during single-photon atomic transitions for a general set of steady-state excitation processes in an arbitrary arrangement of static (or quasistatic) electric and magnetic fields. Particular attention has been directed at spectroscopic observations in the intense fields of the high-power ion diodes on the Particle Beam Fusion Accelerator II (PBFA II) and SABRE devices at Sandia National Laboratories and at magnetic-field measurements in tokamak plasmas. The field-dependent atomic eigenstates are represented as expansions in a complete basis set of field-free bound and continuum eigenstates. Particular emphasis has been given to directed-electron collisional excitations, which may be produced by an anisotropic incident-electron velocity distribution. We have allowed for the possibility of the coherent excitation of the nearly degenerate field-dependent atomic substates, which can give rise to a complex spectral pattern of overlapping Stark-Zeeman components. Coherent excitations may be produced by a beam of electrons that are spin-polarized at an angle with respect to the propagation direction or by nonparallel electric and magnetic fields. Our main result is a general expression for the matrix elements of the photon-polarization density operator representing the total intensity, angular distribution, and polarization of the atomic radiative emission. For the observation of radiative emission in the direction of the magnetic field, the detection of linearly polarized emission, in addition to the usual circularly polarized radiation, can reveal the presence of a perpendicular electric field or a coherent excitation mechanism.

Angular distribution and polarization of atomic radiative emission in electric and magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacobs, V.L.; Filuk, A.B.

A density-matrix approach has been developed for the angular distribution and polarization of radiative emission during single-photon atomic transitions for a general set of steady-state excitation processes in an arbitrary arrangement of static (or quasistatic) electric and magnetic fields. Particular attention has been directed at spectroscopic observations in the intense fields of the high-power ion diodes on the Particle Beam Fusion Accelerator II (PBFA II) and SABRE devices at Sandia National Laboratories and at magnetic-field measurements in tokamak plasmas. The field-dependent atomic eigenstates are represented as expansions in a complete basis set of field-free bound and continuum eigenstates. Particular emphasismore » has been given to directed-electron collisional excitations, which may be produced by an anisotropic incident-electron velocity distribution. We have allowed for the possibility of the coherent excitation of the nearly degenerate field-dependent atomic substates, which can give rise to a complex spectral pattern of overlapping Stark-Zeeman components. Coherent excitations may be produced by a beam of electrons that are spin-polarized at an angle with respect to the propagation direction or by nonparallel electric and magnetic fields. Our main result is a general expression for the matrix elements of the photon-polarization density operator representing the total intensity, angular distribution, and polarization of the atomic radiative emission. For the observation of radiative emission in the direction of the magnetic field, the detection of linearly polarized emission, in addition to the usual circularly polarized radiation, can reveal the presence of a perpendicular electric field or a coherent excitation mechanism.« less

Kinetic theory of weakly ionized dilute gas of hydrogen-like atoms of the first principles of quantum statistics and dispersion laws of eigenwaves

NASA Astrophysics Data System (ADS)

Slyusarenko, Yurii V.; Sliusarenko, Oleksii Yu.

2017-11-01

We develop a microscopic approach to the construction of the kinetic theory of dilute weakly ionized gas of hydrogen-like atoms. The approach is based on the statements of the second quantization method in the presence of bound states of particles. The basis of the derivation of kinetic equations is the method of reduced description of relaxation processes. Within the framework of the proposed approach, a system of common kinetic equations for the Wigner distribution functions of free oppositely charged fermions of two kinds (electrons and cores) and their bound states—hydrogen-like atoms— is obtained. Kinetic equations are used to study the spectra of elementary excitations in the system when all its components are non-degenerate. It is shown that in such a system, in addition to the typical plasma waves, there are longitudinal waves of matter polarization and the transverse ones with a behavior characteristic of plasmon polaritons. The expressions for the dependence of the frequencies and Landau damping coefficients on the wave vector for all branches of the oscillations discovered are obtained. Numerical evaluation of the elementary perturbation parameters in the system on an example of a weakly ionized dilute gas of the 23Na atoms using the D2-line characteristics of the natrium atom is given. We note the possibility of using the results of the developed theory to describe the properties of a Bose condensate of photons in the diluted weakly ionized gas of hydrogen-like atoms.

Generation of entanglement and its decay in a noisy environment

NASA Astrophysics Data System (ADS)

Huang, Jiehui

Entanglement plays a central role in distinguishing quantum mechanics from classical physics. Due to its fantastic properties and many potential applications in quantum information science, entanglement is attracting more and more attention. This thesis focuses on the generation of entanglement and its decay in a noisy environment. In the first experimental scheme to entangle two thermal fields, an atomic ensemble, composed of many identical four-level atoms, is employed. In the first Raman scattering, this atomic ensemble emits write signal photons after the pumping by a weak write pulse, accompanied by the transfer from one lower level to the other for some atoms. Similarly, the atomic ensemble emits read signal photons after the driving by a strong read pulse, and the ensemble turns back to its ground state after the second Raman scattering. The coherence between the two lower atomic levels plays a key role in establishing the quantum correlation between two emission fields, which is verified through the violation of Cauchy-Schwarz inequality. In particular, the controllable time delay between the two emission fields actually means the storage time of photonic information in this system, which sheds light on some potential applications, such as quantum memory. In the second experimental scheme for the generation of spatially separated multiphoton entanglement, two or more identical optical cavities are aligned along a bee-line, and a four-level atom runs through these cavities sequentially. By appropriately adjusting the passage time of the atom in each cavity or the Rabi frequency of the classical pumping laser, a photon can be generated via the interaction between the excited atom and the cavity modes. This adiabatic passage model is an effective method to map atomic coherence to photonic state in cavity QED, thus all photons in different cavities quantum-mechanically correlate with the moving atom. When a final detection is made on this atom, a generalized n-photon GHZ entangled state will be generated with certainty. Environment-induced disentanglement is another important topic in quantum optics. Based on the Peres-Horodecki criterion for separability of bipartite states, we develop the principal minor method for the verification of two-qubit entanglement. Among the fifteen principal minors (seven effective ones) of a given two-qubit state's partial transpose, if the minimum one is negative, the two-qubit state is entangled, otherwise it is separable. By applying this method to a two-qubit system under amplitude and phase dampings, we have derived the necessary and sufficient conditions for the entanglement sudden death of an initially entangled two-qubit state. Keywords: entanglement generation, atomic ensemble, two-qubit, multiphoton entanglement, cavity QED, entanglement sudden death (ESD), amplitude damping, phase damping, principal minor.

Observation of dynamic atom-atom correlation in liquid helium in real space.

PubMed

Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

2017-05-04

Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

Generation of Werner states via collective decay of coherently driven atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agarwal, Girish S.; Kapale, Kishore T.

2006-02-15

We show deterministic generation of Werner states as a steady state of the collective decay dynamics of a pair of neutral atoms coupled to a leaky cavity and strong coherent drive. We also show how the scheme can be extended to generate a 2N-particle analogue of the bipartite Werner states.

Effects of oxygen concentration on atmospheric pressure dielectric barrier discharge in Argon-Oxygen Mixture

NASA Astrophysics Data System (ADS)

Li, Xuechun; Li, Dian; Wang, Younian

2016-09-01

A dielectric barrier discharge (DBD) can generate a low-temperature plasma easily at atmospheric pressure and has been investigated for applications in trials in cancer therapy, sterilization, air pollution control, etc. It has been confirmed that reactive oxygen species (ROS) play a key role in the processes. In this work, we use a fluid model to simulate the plasma characteristics for DBD in argon-oxygen mixture. The effects of oxygen concentration on the plasma characteristics have been discussed. The evolution mechanism of ROS has been systematically analyzed. It was found that the ground state oxygen atoms and oxygen molecular ions are the dominated oxygen species under the considered oxygen concentrations. With the oxygen concentration increasing, the densities of electrons, argon atomic ions, resonance state argon atoms, metastable state argon atoms and excited state argon atoms all show a trend of decline. The oxygen molecular ions density is high and little influenced by the oxygen concentration. Ground state oxygen atoms density tends to increase before falling. The ozone density increases significantly. Increasing the oxygen concentration, the discharge mode begins to change gradually from the glow discharge mode to Townsend discharge mode. Project supported by the National Natural Science Foundation of China (Grant No. 11175034).

The use of 133 Ba+ as a new candidate for trapped atomic ion qubits

NASA Astrophysics Data System (ADS)

Hucul, David; Christiansen, Justin; Campbell, Wesley; Hudson, Eric

2016-05-01

Trapped atomic ions are qubit standards in quantum information science because of their long coherence times and high fidelity entangling gates. Many different atomic ions have been used as qubits, each with strengths and weaknesses dictated by its atomic structure. We propose to use 133 Ba+ as an atomic qubit. 133 Ba+ is a nearly ideal, all-purpose candidate by combining many of the strengths of different workhorse atomic ions. 133 Ba+, like 171 Yb+, has a nuclear spin 1/2, allowing for a robust hyperfine qubit with simple state preparation and readout via differential fluorescence. The lack of a low-lying F-state, like in Ca+, simplifies high-fidelity qubit state detection that relies on shelving a qubit level to a meta-stable excited state. In addition, 133 Ba+ can be used for background-free qubit state detection where the wavelength of the qubit detection light differs from all excitation light by at least 50 THz. Unlike all other ions in use, the optical transitions of barium are in the visible spectrum, enabling the use of high power lasers, low-loss fibers, high quantum efficiency detectors, and other technologies developed for visible wavelengths of light to ease some requirements toward scaling a quantum system.

Internal Spin Control, Squeezing and Decoherence in Ensembles of Alkali Atomic Spins

NASA Astrophysics Data System (ADS)

Norris, Leigh Morgan

Large atomic ensembles interacting with light are one of the most promising platforms for quantum information processing. In the past decade, novel applications for these systems have emerged in quantum communication, quantum computing, and metrology. Essential to all of these applications is the controllability of the atomic ensemble, which is facilitated by a strong coupling between the atoms and light. Non-classical spin squeezed states are a crucial step in attaining greater ensemble control. The degree of entanglement present in these states, furthermore, serves as a benchmark for the strength of the atom-light interaction. Outside the broader context of quantum information processing with atomic ensembles, spin squeezed states have applications in metrology, where their quantum correlations can be harnessed to improve the precision of magnetometers and atomic clocks. This dissertation focuses upon the production of spin squeezed states in large ensembles of cold trapped alkali atoms interacting with optical fields. While most treatments of spin squeezing consider only the case in which the ensemble is composed of two level systems or qubits, we utilize the entire ground manifold of an alkali atom with hyperfine spin f greater than or equal to 1/2, a qudit. Spin squeezing requires non-classical correlations between the constituent atomic spins, which are generated through the atoms' collective coupling to the light. Either through measurement or multiple interactions with the atoms, the light mediates an entangling interaction that produces quantum correlations. Because the spin squeezing treated in this dissertation ultimately originates from the coupling between the light and atoms, conventional approaches of improving this squeezing have focused on increasing the optical density of the ensemble. The greater number of internal degrees of freedom and the controllability of the spin-f ground hyperfine manifold enable novel methods of enhancing squeezing. In particular, we find that state preparation using control of the internal hyperfine spin increases the entangling power of squeezing protocols when f>1/2. Post-processing of the ensemble using additional internal spin control converts this entanglement into metrologically useful spin squeezing. By employing a variation of the Holstein-Primakoff approximation, in which the collective spin observables of the atomic ensemble are treated as quadratures of a bosonic mode, we model entanglement generation, spin squeezing and the effects of internal spin control. The Holstein-Primakoff formalism also enables us to take into account the decoherence of the ensemble due to optical pumping. While most works ignore or treat optical pumping phenomenologically, we employ a master equation derived from first principles. Our analysis shows that state preparation and the hyperfine spin size have a substantial impact upon both the generation of spin squeezing and the decoherence of the ensemble. Through a numerical search, we determine state preparations that enhance squeezing protocols while remaining robust to optical pumping. Finally, most work on spin squeezing in atomic ensembles has treated the light as a plane wave that couples identically to all atoms. In the final part of this dissertation, we go beyond the customary plane wave approximation on the light and employ focused paraxial beams, which are more efficiently mode matched to the radiation pattern of the atomic ensemble. The mathematical formalism and the internal spin control techniques that we applied in the plane wave case are generalized to accommodate the non-homogeneous paraxial probe. We find the optimal geometries of the atomic ensemble and the probe for mode matching and generation of spin squeezing.

Internal Spin Control, Squeezing and Decoherence in Ensembles of Alkali Atomic Spins

NASA Astrophysics Data System (ADS)

Norris, Leigh Morgan

Large atomic ensembles interacting with light are one of the most promising platforms for quantum information processing. In the past decade, novel applications for these systems have emerged in quantum communication, quantum computing, and metrology. Essential to all of these applications is the controllability of the atomic ensemble, which is facilitated by a strong coupling between the atoms and light. Non-classical spin squeezed states are a crucial step in attaining greater ensemble control. The degree of entanglement present in these states, furthermore, serves as a benchmark for the strength of the atom-light interaction. Outside the broader context of quantum information processing with atomic ensembles, spin squeezed states have applications in metrology, where their quantum correlations can be harnessed to improve the precision of magnetometers and atomic clocks. This dissertation focuses upon the production of spin squeezed states in large ensembles of cold trapped alkali atoms interacting with optical fields. While most treatments of spin squeezing consider only the case in which the ensemble is composed of two level systems or qubits, we utilize the entire ground manifold of an alkali atom with hyperfine spin f greater or equal to 1/2, a qudit. Spin squeezing requires non-classical correlations between the constituent atomic spins, which are generated through the atoms' collective coupling to the light. Either through measurement or multiple interactions with the atoms, the light mediates an entangling interaction that produces quantum correlations. Because the spin squeezing treated in this dissertation ultimately originates from the coupling between the light and atoms, conventional approaches of improving this squeezing have focused on increasing the optical density of the ensemble. The greater number of internal degrees of freedom and the controllability of the spin-f ground hyperfine manifold enable novel methods of enhancing squeezing. In particular, we find that state preparation using control of the internal hyperfine spin increases the entangling power of squeezing protocols when f >1/2. Post-processing of the ensemble using additional internal spin control converts this entanglement into metrologically useful spin squeezing. By employing a variation of the Holstein-Primakoff approximation, in which the collective spin observables of the atomic ensemble are treated as quadratures of a bosonic mode, we model entanglement generation, spin squeezing and the effects of internal spin control. The Holstein-Primakoff formalism also enables us to take into account the decoherence of the ensemble due to optical pumping. While most works ignore or treat optical pumping phenomenologically, we employ a master equation derived from first principles. Our analysis shows that state preparation and the hyperfine spin size have a substantial impact upon both the generation of spin squeezing and the decoherence of the ensemble. Through a numerical search, we determine state preparations that enhance squeezing protocols while remaining robust to optical pumping. Finally, most work on spin squeezing in atomic ensembles has treated the light as a plane wave that couples identically to all atoms. In the final part of this dissertation, we go beyond the customary plane wave approximation on the light and employ focused paraxial beams, which are more efficiently mode matched to the radiation pattern of the atomic ensemble. The mathematical formalism and the internal spin control techniques that we applied in the plane wave case are generalized to accommodate the non-homogeneous paraxial probe. We find the optimal geometries of the atomic ensemble and the probe for mode matching and generation of spin squeezing.

Signatures of the atomic nucleus in laser-assisted single ionization of one-electron atoms

NASA Astrophysics Data System (ADS)

Ajana, Imane; Khalil, Driss; Makhoute, Abdelkader

2018-03-01

The dynamics of the electron-impact single ionization of hydrogenic targets in the presence of a laser field (e, 2e) has been studied for different residual ion charges Z = 1, 2, 3 and 4. The state of fast electron in the laser field is described by the Volkov state, while the dressed state of the ejected slow electron and atomic target is treated perturbatively to the first-order perturbation theory. We calculate the triple differential cross section in the Ehrhardt asymmetric coplanar geometry. We have compared and analyzed the triple differential cross sections from one-electron atoms by varying the charge state of the residual ion, and evaluating the interplay between the laser influence and the role of scattering from the residual ion.

Experimental realization of narrowband four-photon Greenberger-Horne-Zeilinger state in a single cold atomic ensemble.

PubMed

Dong, Ming-Xin; Zhang, Wei; Hou, Zhi-Bo; Yu, Yi-Chen; Shi, Shuai; Ding, Dong-Sheng; Shi, Bao-Sen

2017-11-15

Multi-photon entangled states not only play a crucial role in research on quantum physics but also have many applications in quantum information fields such as quantum computation, quantum communication, and quantum metrology. To fully exploit the multi-photon entangled states, it is important to establish the interaction between entangled photons and matter, which requires that photons have narrow bandwidth. Here, we report on the experimental generation of a narrowband four-photon Greenberger-Horne-Zeilinger state with a fidelity of 64.9% through multiplexing two spontaneous four-wave mixings in a cold Rb85 atomic ensemble. The full bandwidth of the generated GHZ state is about 19.5 MHz. Thus, the generated photons can effectively match the atoms, which are very suitable for building a quantum computation and quantum communication network based on atomic ensembles.

PHYSICAL EFFECTS OCCURRING DURING GENERATION AND AMPLIFICATION OF LASER RADIATION: Self-induced resonance under conditions of radiative equilibrium of quasienergy states in a three-level system

NASA Astrophysics Data System (ADS)

Sarkisyan, M. A.

1989-02-01

An analysis is made of the interaction of a three-level "cascade" atomic system with a resonant laser field. An investigation is made of the dynamics of the populations of the quasienergy states and of the atomic levels over times greater than the spontaneous transition times. In the steady-state regime the distribution of atoms over various quasienergy states is obtained under two-photon resonance conditions and for the case when all the resonances are strong. It is found that a suitable selection of the interaction parameters can establish an inversion between the quasienergy states and also due to atomic transitions. The total probability of spontaneous scattering is calculated. It is shown that, under two-photon resonance conditions, the scattering intensity increases sharply due to a self-induced resonance.

Periodically modulated dark states

NASA Astrophysics Data System (ADS)

Han, Yingying; Zhang, Jun; Zhang, Wenxian

2018-04-01

Phenomena of electromagnetically induced transparency (PEIT) may be interpreted by the Autler-Townes Splitting (ATS), where the coupled states are split by the coupling laser field, or by the quantum destructive interference (QDI), where the atomic phases caused by the coupling laser and the probe laser field cancel. We propose modulated experiments to explore the PEIT in an alternative way by periodically modulating the coupling and the probe fields in a Λ-type three-level system initially in a dark state. Our analytical and numerical results rule out the ATS interpretation and show that the QDI interpretation is more appropriate for the modulated experiments. Interestingly, dark state persists in the double-modulation situation where control and probe fields never occur simultaneously, which is significant difference from the traditional dark state condition. The proposed experiments are readily implemented in atomic gases, artificial atoms in superconducting quantum devices, or three-level meta-atoms in meta-materials.

Electronic excitation of ground state atoms by collision with heavy gas particles

NASA Technical Reports Server (NTRS)

Hansen, C. Frederick

1993-01-01

Most of the important chemical reactions which occur in the very high temperature air produced around space vehicles as they enter the atmosphere were investigated both experimentally and theoretically, to some extent at least. One remaining reaction about which little is known, and which could be quite important at the extremely high temperatures that will be produced by the class of space vehicles now contemplated - such as the AOTV - is the excitation of bound electron states due to collisions between heavy gas particles. Rates of electronic excitation due to free electron collisions are known to be very rapid, but because these collisions quickly equilibrate the free and bound electron energy, the approach to full equilibrium with the heavy particle kinetic energy will depend primarily on the much slower process of bound electron excitation in heavy particle collisions and the subsequent rapid transfer to free electron energy. This may be the dominant mechanism leading to full equilibrium in the gas once the dissociation process has depleted the molecular states so the transfer between molecular vibrational energy and free electron energy is no longer available as a channel for equilibration of free electron and heavy particle kinetic energies. Two mechanisms seem probable in electronic excitation by heavy particle impact. One of these is the collision excitation and deexcitation of higher electronic states which are Rydberg like. A report, entitled 'Semi-Classical Theory of Electronic Excitation Rates', was submitted previously. This presented analytic expressions for the transition probabilities, assuming that the interaction potential is an exponential repulsion with a perturbation ripple due to the dipole-induced dipole effect in the case of neutral-neutral collisions, and to the ion-dipole interaction in the case of ion-neutral collisions. However the above may be, there is little doubt that excitation of ground state species by collision occurs at the point where the initial and final potentials cross, or at least come very close. Therefore, this mechanism would be applicable to the case where a gas is initially at very low temperature suddenly subjected to high energy heavy particle bombardment. This situation would model the measurement of excitation cross section by molecular beam techniques, for example. The purpose is to report values of cross sections and rate coefficients for collision excitation of ground state atoms estimated with the Landau-Zener transition theory and to compare results with measurement of excitation cross sections for a beam of Hydrogen atoms impacting Argon atom targets. Some very dubious approximations are used, and the comparison with measurement is found less than ideal, but results are at least consistent within order of magnitude. The same model is then applied to the case of N-N atom collisions, even though the approximations then become even more doubtful. Still the rate coefficients obtained are at least plausible in both magnitude and functional form, and as far as I am aware these are the only estimates available for such rate coefficients.

Origin of high thermoelectric performance of FeNb1−xZr/HfxSb1−ySny alloys: A first-principles study

PubMed Central

Zhang, Xiwen; Wang, Yuanxu; Yan, Yuli; Wang, Chao; Zhang, Guangbiao; Cheng, Zhenxiang; Ren, Fengzhu; Deng, Hao; Zhang, Jihua

2016-01-01

The previous experimental work showed that Hf- or Zr-doping has remarkably improved the thermoelectric performance of FeNbSb. Here, the first-principles method was used to explore the possible reason for such phenomenon. The substitution of X (Zr/Hf) atoms at Nb sites increases effective hole-pockets, total density of states near the Fermi level (EF), and hole mobility to largely enhance electrical conductivity. It is mainly due to the shifting the EF to lower energy and the nearest Fe atoms around X atoms supplying more d-states to hybrid with X d-states at the vicinity of the EF. Moreover, we find that the X atoms indirectly affect the charge distribution around Nb atoms via their nearest Fe atoms, resulting in the reduced energy difference in the valence band edge, contributing to enhanced Seebeck coefficients. In addition, the further Bader charge analysis shows that the reason of more holes by Hf-doping than Zr in the experiment is most likely derived from Hf atoms losing less electrons and the stronger hybridization between Hf atoms and their nearest Fe atoms. Furthermore, we predict that Hf/Sn co-doping may be an effective strategy to further optimize the thermoelectric performance of half-Heusler (HH) compounds. PMID:27604826

Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors

PubMed Central

Thorwart, Michael

2018-01-01

Realizing Majorana bound states (MBS) in condensed matter systems is a key challenge on the way toward topological quantum computing. As a promising platform, one-dimensional magnetic chains on conventional superconductors were theoretically predicted to host MBS at the chain ends. We demonstrate a novel approach to design of model-type atomic-scale systems for studying MBS using single-atom manipulation techniques. Our artificially constructed atomic Fe chains on a Re surface exhibit spin spiral states and a remarkable enhancement of the local density of states at zero energy being strongly localized at the chain ends. Moreover, the zero-energy modes at the chain ends are shown to emerge and become stabilized with increasing chain length. Tight-binding model calculations based on parameters obtained from ab initio calculations corroborate that the system resides in the topological phase. Our work opens new pathways to design MBS in atomic-scale hybrid structures as a basis for fault-tolerant topological quantum computing. PMID:29756034

Dissipative preparation of steady Greenberger-Horne-Zeilinger states for Rydberg atoms with quantum Zeno dynamics

NASA Astrophysics Data System (ADS)

Shao, X. Q.; Wu, J. H.; Yi, X. X.; Long, Gui-Lu

2017-12-01

Inspired by a recent work [F. Reiter, D. Reeb, and A. S. Sørensen, Phys. Rev. Lett. 117, 040501 (2016), 10.1103/PhysRevLett.117.040501], we present a simplified proposal for dissipatively preparing a Greenberger-Horne-Zeilinger (GHZ) state of three Rydberg atoms in a cavity. The Z pumping is implemented under the action of the spontaneous emission of Λ -type atoms and the quantum Zeno dynamics induced by strong continuous coupling. In the meantime, a dissipative Rydberg pumping breaks up the stability of the state | GHZ+〉 in the process of Z pumping, making | GHZ-〉 the unique steady state of the system. Compared with the former scheme, the number of driving fields acting on atoms is greatly reduced and only a single-mode cavity is required. The numerical simulation of the full master equation reveals that a high fidelity ˜98 % can be obtained with the currently achievable parameters in the Rydberg-atom-cavity system.

Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors.

PubMed

Kim, Howon; Palacio-Morales, Alexandra; Posske, Thore; Rózsa, Levente; Palotás, Krisztián; Szunyogh, László; Thorwart, Michael; Wiesendanger, Roland

2018-05-01

Realizing Majorana bound states (MBS) in condensed matter systems is a key challenge on the way toward topological quantum computing. As a promising platform, one-dimensional magnetic chains on conventional superconductors were theoretically predicted to host MBS at the chain ends. We demonstrate a novel approach to design of model-type atomic-scale systems for studying MBS using single-atom manipulation techniques. Our artificially constructed atomic Fe chains on a Re surface exhibit spin spiral states and a remarkable enhancement of the local density of states at zero energy being strongly localized at the chain ends. Moreover, the zero-energy modes at the chain ends are shown to emerge and become stabilized with increasing chain length. Tight-binding model calculations based on parameters obtained from ab initio calculations corroborate that the system resides in the topological phase. Our work opens new pathways to design MBS in atomic-scale hybrid structures as a basis for fault-tolerant topological quantum computing.

Metastable States Arising from the Ablation of Solid Copper

NASA Astrophysics Data System (ADS)

Andrejeva, Anna; Harris, Joe; Wright, Tim

2014-06-01

Laser ablation is a popular method for generating metal atoms so that metal clusters, complexes, and molecules may be investigated in gas phase spectroscopic studies. However, the initial production of a highly energetic metal plasma from the surface of a solid metal target can produce atoms which are not in their ground electronic state, and consequently atomic spectra can become quite complicated due to transitions arising from metastable atomic excited states which remain populated on the experimental timescale. Presented herein are details of the laser vaporisation source in use by our group. Spectra of atomic copper are presented, recorded via (1+1') and (2+1) resonance enhanced multiphoton ionisation (REMPI) spectroscopy. The energetic regions examined are expected to correspond to the (4s24p) 2P ← 2S and the (4s2nd) 2D ← 2S Rydberg series respectively, but the observed spectra also exhibit many additional contributions which are found to arise from electronically excited states, and these will be discussed.

Representing and selecting vibrational angular momentum states for quasiclassical trajectory chemical dynamics simulations.

PubMed

Lourderaj, Upakarasamy; Martínez-Núñez, Emilio; Hase, William L

2007-10-18

Linear molecules with degenerate bending modes have states, which may be represented by the quantum numbers N and L. The former gives the total energy for these modes and the latter identifies their vibrational angular momentum jz. In this work, the classical mechanical analog of the N,L-quantum states is reviewed, and an algorithm is presented for selecting initial conditions for these states in quasiclassical trajectory chemical dynamics simulations. The algorithm is illustrated by choosing initial conditions for the N = 3 and L = 3 and 1 states of CO2. Applications of this algorithm are considered for initial conditions without and with zero-point energy (zpe) included in the vibrational angular momentum states and the C-O stretching modes. The O-atom motions in the x,y-plane are determined for these states from classical trajectories in Cartesian coordinates and are compared with the motion predicted by the normal-mode model. They are only in agreement for the N = L = 3 state without vibrational angular momentum zpe. For the remaining states, the Cartesian O-atom motions are considerably different from the elliptical motion predicted by the normal-mode model. This arises from bend-stretch coupling, including centrifugal distortion, in the Cartesian trajectories, which results in tubular instead of elliptical motion. Including zpe in the C-O stretch modes introduces considerable complexity into the O-atom motions for the vibrational angular momentum states. The short-time O-atom motions for these trajectories are highly irregular and do not appear to have any identifiable characteristics. However, the O-atom motions for trajectories integrated for substantially longer period of times acquire unique properties. With C-O stretch zpe included, the long-time O-atom motion becomes tubular for trajectories integrated to approximately 14 ps for the L = 3 states and to approximately 44 ps for the L = 1 states.

Absorption of infrared radiation by electrons in the field of a neutral hydrogen atom

NASA Technical Reports Server (NTRS)

Stallcop, J. R.

1974-01-01

An analytical expression for the absorption coefficient is developed from a relationship between the cross-section for inverse bremsstrahlung absorption and the cross-section for electron-atom momentum transfer; it is accurate for those photon frequencies v and temperatures such that hv/kT is small. The determination of the absorption of infrared radiation by free-free transitions of the negative hydrogen ion has been extended to higher temperatures. A simple analytical expression for the absorption coefficient has been derived.

The Hyperfine Structure of the Ground State in the Muonic Helium Atoms

NASA Astrophysics Data System (ADS)

Aznabayev, D. T.; Bekbaev, A. K.; Korobov, V. I.

2018-05-01

Non-relativistic ionization energies 3He2+μ-e- and 4He2+μ-e- of helium-muonic atoms are calculated for ground states. The calculations are based on the variational method of the exponential expansion. Convergence of the variational energies is studied by an increasing of a number of the basis functions N. This allows to claim that the obtained energy values have 26 significant digits for ground states. With the obtained results we calculate hyperfine splitting of the muonic helium atoms.

Nonlinear Sensing With Collective States of Ultracold Atoms in Optical Lattices

DTIC Science & Technology

2015-04-02

20) E. Tiesinga, “Particle-hole Pair Coherence in Mott insulator quench dynamics” at the June 2014, Division of atomic, molecular, and optical...Jian, Philip R. Johnson, Eite Tiesinga. Particle-Hole Pair Coherence in Mott Insulator Quench Dynamics, P H Y S I C A L R E V I EW L E T T E R S (01...lattices. We focused on techniques that make use of the coherent superposition states in atom number. These state are not unlike the photon number

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

Manipulating molecular quantum states with classical metal atom inputs: demonstration of a single molecule NOR logic gate.

PubMed

Soe, We-Hyo; Manzano, Carlos; Renaud, Nicolas; de Mendoza, Paula; De Sarkar, Abir; Ample, Francisco; Hliwa, Mohamed; Echavarren, Antonio M; Chandrasekhar, Natarajan; Joachim, Christian

2011-02-22

Quantum states of a trinaphthylene molecule were manipulated by putting its naphthyl branches in contact with single Au atoms. One Au atom carries 1-bit of classical information input that is converted into quantum information throughout the molecule. The Au-trinaphthylene electronic interactions give rise to measurable energy shifts of the molecular electronic states demonstrating a NOR logic gate functionality. The NOR truth table of the single molecule logic gate was characterized by means of scanning tunnelling spectroscopy.

Measurement-induced entanglement for excitation stored in remote atomic ensembles.

PubMed

Chou, C W; de Riedmatten, H; Felinto, D; Polyakov, S V; van Enk, S J; Kimble, H J

2005-12-08

A critical requirement for diverse applications in quantum information science is the capability to disseminate quantum resources over complex quantum networks. For example, the coherent distribution of entangled quantum states together with quantum memory (for storing the states) can enable scalable architectures for quantum computation, communication and metrology. Here we report observations of entanglement between two atomic ensembles located in distinct, spatially separated set-ups. Quantum interference in the detection of a photon emitted by one of the samples projects the otherwise independent ensembles into an entangled state with one joint excitation stored remotely in 10(5) atoms at each site. After a programmable delay, we confirm entanglement by mapping the state of the atoms to optical fields and measuring mutual coherences and photon statistics for these fields. We thereby determine a quantitative lower bound for the entanglement of the joint state of the ensembles. Our observations represent significant progress in the ability to distribute and store entangled quantum states.

Endo-Fullerene and Doped Diamond Nanocrystallite Based Models of Qubits for Solid-State Quantum Computers

NASA Technical Reports Server (NTRS)

Park, Seongjun; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

2001-01-01

Models of encapsulated 1/2 nuclear spin H-1 and P-31 atoms in fullerene and diamond nanocrystallite, respectively, are proposed and examined with ab-initio local density functional method for possible applications as single quantum bits (qubits) in solid-state quantum computers. A H-1 atom encapsulated in a fully deuterated fullerene, C(sub 20)D(sub 20), forms the first model system and ab-initio calculation shows that H-1 atom is stable in atomic state at the center of the fullerene with a barrier of about 1 eV to escape. A P-31 atom positioned at the center of a diamond nanocrystallite is the second model system, and 3 1P atom is found to be stable at the substitutional site relative to interstitial sites by 15 eV, Vacancy formation energy is 6 eV in diamond so that substitutional P-31 atom will be stable against diffusion during the formation mechanisms within the nanocrystallite. The coupling between the nuclear spin and weakly bound (valance) donor electron coupling in both systems is found to be suitable for single qubit applications, where as the spatial distributions of (valance) donor electron wave functions are found to be preferentially spread along certain lattice directions facilitating two or more qubit applications. The feasibility of the fabrication pathways for both model solid-state qubit systems within practical quantum computers is discussed with in the context of our proposed solid-state qubits.

Quantum state detection and state preparation based on cavity-enhanced nonlinear interaction of atoms with single photon

NASA Astrophysics Data System (ADS)

Hosseini, Mahdi

Our ability to engineer quantum states of light and matter has significantly advanced over the past two decades, resulting in the production of both Gaussian and non-Gaussian optical states. The resulting tailored quantum states enable quantum technologies such as quantum optical communication, quantum sensing as well as quantum photonic computation. The strong nonlinear light-atom interaction is the key to deterministic quantum state preparation and quantum photonic processing. One route to enhancing the usually weak nonlinear light-atom interactions is to approach the regime of cavity quantum electrodynamics (cQED) interaction by means of high finesse optical resonators. I present results from the MIT experiment of large conditional cross-phase modulation between a signal photon, stored inside an atomic quantum memory, and a control photon that traverses a high-finesse optical cavity containing the atomic memory. I also present a scheme to probabilistically change the amplitude and phase of a signal photon qubit to, in principle, arbitrary values by postselection on a control photon that has interacted with that state. Notably, small changes of the control photon polarization measurement basis by few degrees can substantially change the amplitude and phase of the signal state. Finally, I present our ongoing effort at Purdue to realize similar peculiar quantum phenomena at the single photon level on chip scale photonic systems.

Quasistatic limit of the strong-field approximation describing atoms in intense laser fields: Circular polarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bauer, Jaroslaw H.

2011-03-15

In the recent work of Vanne and Saenz [Phys. Rev. A 75, 063403 (2007)] the quasistatic limit of the velocity gauge strong-field approximation describing the ionization rate of atomic or molecular systems exposed to linearly polarized laser fields was derived. It was shown that in the low-frequency limit the ionization rate is proportional to the laser frequency {omega} (for a constant intensity of the laser field). In the present work I show that for circularly polarized laser fields the ionization rate is proportional to {omega}{sup 4} for H(1s) and H(2s) atoms, to {omega}{sup 6} for H(2p{sub x}) and H(2p{sub y})more » atoms, and to {omega}{sup 8} for H(2p{sub z}) atoms. The analytical expressions for asymptotic ionization rates (which become nearly accurate in the limit {omega}{yields}0) contain no summations over multiphoton contributions. For very low laser frequencies (optical or infrared) these expressions usually remain with an order-of-magnitude agreement with the velocity gauge strong-field approximation.« less

Influence of Magnetic Ordering between Cr Adatoms on the Yu-Shiba-Rusinov States of the β -Bi2Pd Superconductor

NASA Astrophysics Data System (ADS)

Choi, Deung-Jang; Fernández, Carlos García; Herrera, Edwin; Rubio-Verdú, Carmen; Ugeda, Miguel M.; Guillamón, Isabel; Suderow, Hermann; Pascual, José Ignacio; Lorente, Nicolás

2018-04-01

We show that the magnetic ordering of coupled atomic dimers on a superconductor is revealed by their intragap spectral features. Chromium atoms on the superconductor β -Bi2Pd surface display Yu-Shiba-Rusinov bound states, detected as pairs of intragap excitations in tunneling spectra. By means of atomic manipulation with a scanning tunneling microscope's tip, we form Cr dimers with different arrangements and find that their intragap features appear either shifted or split with respect to single atoms. These spectral variations are associated with the magnetic coupling, ferromagnetic or antiferromagnetic, of the dimer, as confirmed by density functional theory simulations. The striking qualitative differences between the observed tunneling spectra prove that intragap Shiba states are extremely sensitive to the magnetic ordering on the atomic scale.

Rydberg blockade in three-atom systems

NASA Astrophysics Data System (ADS)

Barredo, Daniel; Ravets, Sylvain; Labuhn, Henning; Beguin, Lucas; Vernier, Aline; Chicireanu, Radu; Nogrette, Florence; Lahaye, Thierry; Browaeys, Antoine

2014-05-01

The control of individual neutral atoms in arrays of optical tweezers is a promising avenue for quantum science and technology. Here we demonstrate unprecedented control over a system of three Rydberg atoms arranged in linear and triangular configurations. The interaction between Rydberg atoms results in the observation of an almost perfect van der Waals blockade. When the single-atom Rabi frequency for excitation to the Rydberg state is comparable to the interaction energy, we directly observe the anisotropy of the interaction between nD-states. Using the independently measured two-body interaction energy shifts we fully reproduce the dynamics of the three-atom system with a model based on a master equation without any adjustable parameter. Combined with our ability to trap single atoms in arbitrary patterns of 2D arrays of up to 100 traps separated by a few microns, these results are very promising for a scalable implementation of quantum simulation of frustrated quantum magnetism with Rydberg atoms.

Configurational forces in electronic structure calculations using Kohn-Sham density functional theory

NASA Astrophysics Data System (ADS)

Motamarri, Phani; Gavini, Vikram

2018-04-01

We derive the expressions for configurational forces in Kohn-Sham density functional theory, which correspond to the generalized variational force computed as the derivative of the Kohn-Sham energy functional with respect to the position of a material point x . These configurational forces that result from the inner variations of the Kohn-Sham energy functional provide a unified framework to compute atomic forces as well as stress tensor for geometry optimization. Importantly, owing to the variational nature of the formulation, these configurational forces inherently account for the Pulay corrections. The formulation presented in this work treats both pseudopotential and all-electron calculations in a single framework, and employs a local variational real-space formulation of Kohn-Sham density functional theory (DFT) expressed in terms of the nonorthogonal wave functions that is amenable to reduced-order scaling techniques. We demonstrate the accuracy and performance of the proposed configurational force approach on benchmark all-electron and pseudopotential calculations conducted using higher-order finite-element discretization. To this end, we examine the rates of convergence of the finite-element discretization in the computed forces and stresses for various materials systems, and, further, verify the accuracy from finite differencing the energy. Wherever applicable, we also compare the forces and stresses with those obtained from Kohn-Sham DFT calculations employing plane-wave basis (pseudopotential calculations) and Gaussian basis (all-electron calculations). Finally, we verify the accuracy of the forces on large materials systems involving a metallic aluminum nanocluster containing 666 atoms and an alkane chain containing 902 atoms, where the Kohn-Sham electronic ground state is computed using a reduced-order scaling subspace projection technique [P. Motamarri and V. Gavini, Phys. Rev. B 90, 115127 (2014), 10.1103/PhysRevB.90.115127].

Steady-State Solutions Originating from an Enhanced Nonlinear Feedback in a Hybrid Opto-mechanical System

NASA Astrophysics Data System (ADS)

Fan, Qiu-Bo; Wang, Yi-Ru; Chen, Jin; Pan, Yue-Wu; Han, Bai-Ping; Fu, Chang-Bao; Sun, Yan

2017-06-01

The steady-state properties of a hybrid system are investigated in this paper. Many cold atoms in the four-level tripod configuration are confined in an optical cavity with a movable end mirror. The confined cold atoms are driven with two external classical fields and an internal cavity field. The internal cavity field is excited by an external driving field and shows a radiation pressure upon the movable end mirror. The coupling of atom-light and opto-mechanical interactions is enhanced by embedding a four-level atomic system in a typical opto-mechanical cavity. And an enhanced nonlinear feedback mechanism is offered by the enhanced coupling, which permits the observation of five and three steady-state solutions for relevant variables near two-photon resonance. The enhanced nonlinear feedback mechanism also allows us to observe the obvious difference in the double-EIT phenomenon between the atom-assisted opto-mechanical system and usual atom-field system.

Characteristic miR-24 Expression in Gastric Cancers among Atomic Bomb Survivors.

PubMed

Naito, Yutaka; Oue, Naohide; Pham, Trang T B; Yamamoto, Manabu; Fujihara, Megumu; Ishida, Teruyoshi; Mukai, Shoichiro; Sentani, Kazuhiro; Sakamoto, Naoya; Hida, Eisuke; Sasaki, Hiroki; Yasui, Wataru

2015-01-01

To elucidate the mechanism of radiation-induced cancers, we analyzed the expression profiles of microRNAs extracted from formalin-fixed paraffin-embedded (FFPE) gastric cancer (GC) tissue samples from atomic bomb survivors. The expression levels of miR-21, miR-24, miR-34a, miR-106a, miR-143, and miR-145 were measured by quantitative reverse transcription polymerase chain reaction (qRT-PCR). The expression of microRNAs was measured by qRT-PCR in a Hiroshima University Hospital cohort comprising 32 patients in the high-dose-exposed group and 18 patients in the low-dose-exposed group who developed GC after the bombing. The GC cases showing high expression of miR-24, miR-143, and miR-145 were more frequently found in the high-dose-exposed group than in the low-dose-exposed group. We next performed qRT-PCR of miR-24, miR-143, and miR-145 in a cohort from the Hiroshima Red Cross Hospital and Atomic-Bomb Survivors Hospital comprising 122 patients in the high-dose-exposed group and 48 patients in the low-dose-exposed group who developed GC after the bombing. High expressions of miR-24 and miR-143 were more frequently found in the high-dose-exposed group than in the low-dose-exposed group. Multivariate analysis demonstrated that only high expression of miR-24 was an independent predictor for the exposure status. These results suggest that the measurement of miR-24 expression from FFPE samples is useful to identify radiation-associated GC.

15 CFR 781.1 - Definitions of terms used in the Additional Protocol Regulations (APR).

Code of Federal Regulations, 2010 CFR

2010-01-01

... United States of America and the International Atomic Energy Agency for the Application of Safeguards in... Additional Protocol. Agreement State. Any State of the United States with which the U.S. Nuclear Regulatory Commission (NRC) has entered into an effective agreement under Subsection 274b of the Atomic Energy Act of...

15 CFR 781.1 - Definitions of terms used in the Additional Protocol Regulations (APR).

Code of Federal Regulations, 2011 CFR

2011-01-01

... United States of America and the International Atomic Energy Agency for the Application of Safeguards in... Additional Protocol. Agreement State. Any State of the United States with which the U.S. Nuclear Regulatory Commission (NRC) has entered into an effective agreement under Subsection 274b of the Atomic Energy Act of...

15 CFR 781.1 - Definitions of terms used in the Additional Protocol Regulations (APR).

Code of Federal Regulations, 2014 CFR

2014-01-01

... United States of America and the International Atomic Energy Agency for the Application of Safeguards in... Additional Protocol. Agreement State. Any State of the United States with which the U.S. Nuclear Regulatory Commission (NRC) has entered into an effective agreement under Subsection 274b of the Atomic Energy Act of...

15 CFR 781.1 - Definitions of terms used in the Additional Protocol Regulations (APR).

Code of Federal Regulations, 2012 CFR

2012-01-01

... United States of America and the International Atomic Energy Agency for the Application of Safeguards in... Additional Protocol. Agreement State. Any State of the United States with which the U.S. Nuclear Regulatory Commission (NRC) has entered into an effective agreement under Subsection 274b of the Atomic Energy Act of...

15 CFR 781.1 - Definitions of terms used in the Additional Protocol Regulations (APR).

Code of Federal Regulations, 2013 CFR

2013-01-01

... United States of America and the International Atomic Energy Agency for the Application of Safeguards in... Additional Protocol. Agreement State. Any State of the United States with which the U.S. Nuclear Regulatory Commission (NRC) has entered into an effective agreement under Subsection 274b of the Atomic Energy Act of...

Triboluminescence and crystal structure of the complex [Eu(NО3 )3 (HMPA)3 ]: role of cleavage planes.

PubMed

Bukvetskii, B V; Mirochnik, A G; Zhikhareva, P A

2017-05-01

The atomic structure of crystals of the [Eu(NО 3 ) 3 (HMPA) 3 ] [hexamethylphosphotriamide (HMPA)] complex characterized by an intensive luminescence and triboluminescence was determined using X-ray structural analysis. Noncentrosymmetric crystals have a monoclinic syngony: a = 16.0686 (3), b = 11.0853 (2), c = 20.9655 Å (4), β = 93.232° (1), space group P2 1 , Z = 4, ρ calc  = 1.560 g/cm 3 . The crystal structure is represented by individual С 18 Н 54 EuN 12 O 12 P 3 complexes linked through van der Waals interactions with clearly expressed cleavage planes. The Eu(III) atom coordination polyhedron reflected the state of a distorted square antiprism. Structural aspects of the suggested model, including formation of triboluminescence properties, were considered and the role of the cleavage planes was discussed. Copyright © 2016 John Wiley & Sons, Ltd.

Control and Transfer of Entanglement between Two Atoms Driven by Classical Fields under Dressed-State Representation

NASA Astrophysics Data System (ADS)

Liao, Qing-Hong; Zhang, Qi; Xu, Juan; Yan, Qiu-Rong; Liu, Ye; Chen, An

2016-06-01

We have studied the dynamics and transfer of the entanglement of the two identical atoms simultaneously interacting with vacuum field by employing the dressed-state representation. The two atoms are driven by classical fields. The influence of the initial entanglement degree of two atoms, the coupling strength between the atom and the classical field and the detuning between the atomic transition frequency and the frequency of classical field on the entanglement and atomic linear entropy is discussed. The initial entanglement of the two atoms can be transferred into the entanglement between the atom and cavity field when the dissipation is neglected. The maximally entangled state between the atoms and cavity field can be obtained under some certain conditions. The time of disentanglement of two atoms can be controlled and manipulated by adjusting the detuning and classical driving fields. Moreover, the larger the cavity decay rate is, the more quickly the entanglement of the two atoms decays. Supported by National Natural Science Foundation of China under Grant Nos. 11247213, 61368002, 11304010, 11264030, 61168001, China Postdoctoral Science Foundation under Grant No. 2013M531558, Jiangxi Postdoctoral Research Project under Grant No. 2013KY33, the Natural Science Foundation of Jiangxi Province under Grant No. 20142BAB217001, the Foundation for Young Scientists of Jiangxi Province (Jinggang Star) under Grant No. 20122BCB23002, the Research Foundation of the Education Department of Jiangxi Province under Grant Nos. GJJ13051, GJJ13057, and the Graduate Innovation Special Fund of Nanchang University under Grant No. cx2015137

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Cr x(Bi 0.1Sb 0.9) 2-xTe 3

DOE PAGES

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; ...

2015-01-20

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in themore » ferromagnetic TI Cr₀.₀₈(Bi₀.₁Sb₀.₉)₁.₉₂Te₃. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm². In addition, these observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.« less

Emission- and fluorescence-spectroscopic investigation of a glow discharge plasma: absolute number density of radiative and nonradiative atoms in the negative glow.

PubMed

Takubo, Y; Sato, T; Asaoka, N; Kusaka, K; Akiyama, T; Muroo, K; Yamamoto, M

2008-01-01

The excited-state atom densities in the negative glow of a direct-current glow discharge are derived from the spectral-line intensity of radiative atoms and the resonance-fluorescence photon flux of nonradiative atoms. The discharge is operated in a helium-argon gas mixture (molar fraction ratio 91:9; total gas pressure 5 Torr) at a dc current of 0.7-1.2 mA. The observations are made in the region of the maximum luminance in the cathode region, where high-energy electrons accelerated in the cathode fall are injected into the negative glow. The emission intensities of the He I, He II, Ar I, and Ar II spectral lines are measured with a calibrated tungsten ribbon lamp as an absolute spectral-radiance standard. Fluorescence photons scattered by helium and argon atoms in the metastable state and argon atoms in the resonance state are detected by the laser-induced fluorescence (LIF) method with the Rayleigh scattering of nitrogen molecules as an absolute standard of scattering cross section. The laser absorption method is incorporated to confirm the result of the LIF measurement. Excitation energies of the measured spectral lines range from 11.6 (Ar I) to 75.6 eV (He II), where the excitation energy is measured from the ground state of the neutral atom on the assumption that, in the plasma of this study, both the neutral and the ionic lines are excited by electron impact in a single-step process from the ground state of the corresponding neutral atoms. Experimental evidence is shown for the validity of this assumption.

Probabilistic Cloning of two Single-Atom States via Thermal Cavity

NASA Astrophysics Data System (ADS)

Rui, Pin-Shu; Liu, Dao-Jun

2016-12-01

We propose a cavity QED scheme for implementing the 1 → 2 probabilistic quantum cloning (PQC) of two single-atom states. In our scheme, after the to-be-cloned atom and the assistant atom passing through the first cavity, a measurement is carried out on the assistant atom. Based on the measurement outcome we can judge whether the PQC should be continued. If the cloning fails, the other operations are omitted. This makes our scheme economical. If the PQC is continued (with the optimal probability) according to the measurement outcome, two more cavities and some unitary operations are used for achieving the PQC in a deterministic way. Our scheme is insensitive to the decays of the cavities and the atoms.

Matter-wave teleportation via cavity-field trans-pads

NASA Astrophysics Data System (ADS)

Ul-Islam, Rameez; Awais Haider, Syed; Abbas, Tasawar; Ikram, Manzoor

2016-10-01

We propose experimentally feasible schematics to teleport one of the major attributes of matter—i.e. atomic motion in the momentum space—with the assistance of Bragg regime atom-cavity field interactions. In this context, the procedure for teleportation of a superposition of the external momentum of a neutral atom along with its atomic momentum Bell state is described in detail. The protocol is then generalized to cover the teleportation of any high-dimensional entangled state. Such schematics based on a hybrid system—i.e. atoms and photons—may solve a long standing problem by efficiently closing both the detection as well as locality loopholes simultaneously for Bell’s inequality testing, an option not available with either photons or atoms alone.

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Yao, E-mail: fu5@mailbox.sc.edu, E-mail: jhsong@cec.sc.edu; Song, Jeong-Hoon, E-mail: fu5@mailbox.sc.edu, E-mail: jhsong@cec.sc.edu

2014-08-07

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifiesmore » the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.« less

Two-photon-excited fluorescence spectroscopy of atomic fluorine at 170 nm

NASA Technical Reports Server (NTRS)

Herring, G. C.; Dyer, Mark J.; Jusinski, Leonard E.; Bischel, William K.

1988-01-01

Two-photon-excited fluorescence spectroscopy of atomic fluorine is reported. A doubled dye laser at 286-nm is Raman shifted in H2 to 170 nm (sixth anti-Stokes order) to excite ground-state 2P(0)J fluorine atoms to the 2D(0)J level. The fluorine atoms are detected by one of two methods: observing the fluorescence decay to the 2PJ level or observing F(+) production through the absorption of an additional photon by the excited atoms. Relative two-photon absorption cross sections to and the radiative lifetimes of the 2D(0)J states are measured.

Microscopic theory of multiple-phonon-mediated dephasing and relaxation of quantum dots near a photonic band gap

NASA Astrophysics Data System (ADS)

Roy, Chiranjeeb; John, Sajeev

2010-02-01

We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption line shape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the “colored” electromagnetic vacuum of a photonic band-gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to an enhanced lifetime of a photon-atom bound state in a PBG. This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (breakup of phonons into lower energy phonons) and purely nonradiative decay. We also derive the modified polarization decay and dephasing rates in the presence of such damping. This leads to a microscopic, quantum theory of the optical absorption line shapes. Our model and formalism provide a starting point for describing dephasing and relaxation in the presence of external coherent fields and multiple quantum dot interactions in electromagnetic reservoirs with radiative memory effects.

Contaminant-State Broadening Mechanism in a Driven Dissipative Rydberg System

NASA Astrophysics Data System (ADS)

Porto, J. V.

2017-04-01

The strong interactions in Rydberg atoms make them an ideal system for the study of correlated many-body physics, both in the presence and absence of dissipation. Using such highly excited atomic states requires addressing challenges posed by the dense spectrum of Rydberg levels, the detrimental effects of spontaneous emission, and strong interactions. A full understanding of the scope and limitations of many Rydberg-based proposals requires simultaneously including these effects, which typically cannot be described by a mean-field treatment due to correlations in the quantum coherent and dissipative processes. We study a driven, dissipative system of Rydberg atoms in a 3D optical lattice, and observe substantial deviation from single-particle excitation rates, both on and off resonance. The observed broadened spectra cannot be explained by van der Waals interactions or a mean-field treatment of the system. Based on the magnitude of the broadening and the scaling with density and two-photon Rabi frequency, we attribute these effects to unavoidable blackbody-induced transitions to nearby Rydberg states of opposite parity, which have large, resonant dipole-dipole interactions with the state of interest. Even at low densities of Rydberg atoms, uncontrolled production of atoms in other states significantly modifies the energy levels of the remaining atoms. These off-diagonal exchange interactions result in complex many-body states of the system and have implications for off-resonant Rydberg dressing proposals. This work was partially supported by the ARL-CDQI program.

Modeling of atomic systems for atomic clocks and quantum information

NASA Astrophysics Data System (ADS)

Arora, Bindiya

This dissertation reports the modeling of atomic systems for atomic clocks and quantum information. This work is motivated by the prospects of optical frequency standards with trapped ions and the quantum computation proposals with neutral atoms in optical lattices. Extensive calculations of the electric-dipole matrix elements in monovalent atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of many-body perturbation theory terms. All allowed transitions between the lowest ns, np1/2, np 3/2 states and a large number of excited states of alkali-metal atoms are evaluated using the all-order method. For Ca+ ion, additional allowed transitions between nd5/2, np 3/2, nf5/2, nf 7/2 states and a large number of excited states are evaluated. We combine D1 lines measurements by Miller et al. [18] with our all-order calculations to determine the values of the electric-dipole matrix elements for the 4pj - 3d j' transitions in K and for the 5pj - 4dj' transitions in Rb to high precision. The resulting electric-dipole matrix elements are used for the high-precision calculation of frequency-dependent polarizabilities of ground state of alkali atoms. Our values of static polarizabilities are found to be in excellent agreement with available experiments. Calculations were done for the wavelength in the range 300--1600 nm, with particular attention to wavelengths of common infrared lasers. We parameterize our results so that they can be extended accurately to arbitrary wavelengths above 800 nm. Our data can be used to predict the oscillation frequencies of optically-trapped atoms, and particularly the ratios of frequencies of different species held in the same trap. We identify wavelengths at which two different alkali atoms have the same oscillation frequency. We present results of all-order calculations of static and frequency-dependent polarizabilities of excited np1/2 and np3/2 state in Na, K, Rb, and Cs atoms and evaluate the uncertainties of these values. Both scalar and tensor part of the p state polarizability were calculated. This made the calculations complicated owing to the contributions from p--d transitions. The static polarizability values are found to be in excellent agreement with previous experimental and theoretical results. We used our calculations to identify the "magic" wavelengths at which the ac polarizabilities of the alkali-metal atoms in the ground state are equal to the ac polarizabilities in the excited npj states facilitating state-insensitive cooling and trapping. We list the results for the np 1/2 and np3/2 states separately. Depending on the mj sub levels, the total polarizability of the np3/2 state was calculated either as the sum or as the difference of scalar and tensor contributions. We pointed out the complications involved in the magic wavelength calculations for the mj = +/-3/2 sub levels. We also study the magic wavelengths for transitions between particular np3/2 F'M' and nsFM hyperfine sub levels. We have proposed a scheme for state-insensitive trapping of neutral atoms by using two-color light at convenient wavelengths. In this scheme, we predict the values of trap and control wavelengths for which the 5s and 5p3/2 levels in Rb atom have same ac Stark shifts in the presence of two laser fields. We also list the trap and control wavelength combinations where one of the laser wavelengths is double the other. The results were listed at same and different trap and control laser intensities. This scheme allows to select convenient and easily available laser wavelength for experiments where it is essential to precisely localize and control neutral atoms with minimum decoherence. Motivated by the prospect of an optical frequency standard based on 43Ca+, we calculate the blackbody radiation (BBR) shift of the 4s1/2-3d5/2 clock transition of an optical frequency standard based on 43Ca+. We describe the study of the Rydberg-Rydberg interactions for quantum gates with neutral atoms and decoherence mechanisms in the Rydberg gate scheme. We have also studied the properties and decoherence processes of the Rydberg states as they are needed for the understanding of possible achievable gate fidelity. (Abstract shortened by UMI.)

First-principle study of single TM atoms X (X=Fe, Ru or Os) doped monolayer WS2 systems

NASA Astrophysics Data System (ADS)

Zhu, Yuan-Yan; Zhang, Jian-Min

2018-05-01

We report the structural, magnetic and electronic properties of the pristine and single TM atoms X (X = Fe, Ru or Os) doped monolayer WS2 systems based on first-principle calculations. The results show that the W-S bond shows a stronger covalent bond, but the covalency is obviously weakened after the substitution of W atom with single X atoms, especially for Ru (4d75s1) with the easily lost electronic configuration. The smaller total energies of the doped systems reveal that the spin-polarized states are energetically favorable than the non-spin-polarized states, and the smallest total energy of -373.918 eV shows the spin-polarized state of the Os doped monolayer WS2 system is most stable among three doped systems. In addition, although the pristine monolayer WS2 system is a nonmagnetic-semiconductor with a direct band gap of 1.813 eV, single TM atoms Fe and Ru doped monolayer WS2 systems transfer to magnetic-HM with the total moments Mtot of 1.993 and 1.962 μB , while single TM atom Os doped monolayer WS2 systems changes to magnetic-metal with the total moments Mtot of 1.569 μB . Moreover, the impurity states with a positive spin splitting energies of 0.543, 0.276 and 0.1999 eV near the Fermi level EF are mainly contributed by X-dxy and X-dx2-y2 states hybridized with its nearest-neighbor atom W-dz2 states for Fe, Ru and Os doped monolayer WS2 system, respectively. Finally, we hope that the present study on monolayer WS2 will provide a useful theoretical guideline for exploring low-dimensional spintronic materials in future experiments.

The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.

PubMed

Tereshchuk, Polina; Freire, Rafael L H; Ungureanu, Crina G; Seminovski, Yohanna; Kiejna, Adam; Da Silva, Juarez L F

2015-05-28

Despite extensive studies of transition metal (TM) clusters supported on ceria (CeO2), fundamental issues such as the role of the TM atoms in the change in the oxidation state of Ce atoms are still not well understood. In this work, we report a theoretical investigation based on static and ab initio molecular dynamics density functional theory calculations of the interaction of 13-atom TM clusters (TM = Pd, Ag, Pt, Au) with the unreduced CeO2(111) surface represented by a large surface unit cell and employing Hubbard corrections for the strong on-site Coulomb correlation in the Ce f-electrons. We found that the TM13 clusters form pyramidal-like structures on CeO2(111) in the lowest energy configurations with the following stacking sequence, TM/TM4/TM8/CeO2(111), while TM13 adopts two-dimensional structures at high energy structures. TM13 induces a change in the oxidation state of few Ce atoms (3 of 16) located in the topmost Ce layer from Ce(IV) (itinerant Ce f-states) to Ce(III) (localized Ce f-states). There is a charge flow from the TM atoms to the CeO2(111) surface, which can be explained by the electronegativity difference between the TM (Pd, Ag, Pt, Au) and O atoms, however, the charge is not uniformly distributed on the topmost O layer due to the pressure induced by the TM13 clusters on the underlying O ions, which yields a decrease in the ionic charge of the O ions located below the cluster and an increase in the remaining O ions. Due to the charge flow mainly from the TM8-layer to the topmost O-layer, the charge cannot flow from the Ce(IV) atoms to the O atoms with the same magnitude as in the clean CeO2(111) surface. Consequently, the effective cationic charge decreases mainly for the Ce atoms that have a bond with the O atoms not located below the cluster, and hence, those Ce atoms change their oxidation state from IV to III. This increases the size of the Ce(III) compared with the Ce(IV) cations, which builds-in a strain within the topmost Ce layer, and hence, also affecting the location of the Ce(III) cations and the structure of the TM13 clusters.

Photoelectron spectroscopy of heavy atoms and molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, M.G.

1979-07-01

The importance of relativistic interactions in the photoionization of heavy atoms and molecules has been investigated by the technique of photoelectron spectroscopy. In particular, experiments are reported which illustrate the effects of the spin-orbit interaction in the neutral ground state, final ionic states and continuum states of the photoionization target.

ROTAS: a rotamer-dependent, atomic statistical potential for assessment and prediction of protein structures.

PubMed

Park, Jungkap; Saitou, Kazuhiro

2014-09-18

Multibody potentials accounting for cooperative effects of molecular interactions have shown better accuracy than typical pairwise potentials. The main challenge in the development of such potentials is to find relevant structural features that characterize the tightly folded proteins. Also, the side-chains of residues adopt several specific, staggered conformations, known as rotamers within protein structures. Different molecular conformations result in different dipole moments and induce charge reorientations. However, until now modeling of the rotameric state of residues had not been incorporated into the development of multibody potentials for modeling non-bonded interactions in protein structures. In this study, we develop a new multibody statistical potential which can account for the influence of rotameric states on the specificity of atomic interactions. In this potential, named "rotamer-dependent atomic statistical potential" (ROTAS), the interaction between two atoms is specified by not only the distance and relative orientation but also by two state parameters concerning the rotameric state of the residues to which the interacting atoms belong. It was clearly found that the rotameric state is correlated to the specificity of atomic interactions. Such rotamer-dependencies are not limited to specific type or certain range of interactions. The performance of ROTAS was tested using 13 sets of decoys and was compared to those of existing atomic-level statistical potentials which incorporate orientation-dependent energy terms. The results show that ROTAS performs better than other competing potentials not only in native structure recognition, but also in best model selection and correlation coefficients between energy and model quality. A new multibody statistical potential, ROTAS accounting for the influence of rotameric states on the specificity of atomic interactions was developed and tested on decoy sets. The results show that ROTAS has improved ability to recognize native structure from decoy models compared to other potentials. The effectiveness of ROTAS may provide insightful information for the development of many applications which require accurate side-chain modeling such as protein design, mutation analysis, and docking simulation.

Measured density of copper atoms in the ground and metastable states in argon magnetron discharge correlated with the deposition rate

NASA Astrophysics Data System (ADS)

Naghshara, H.; Sobhanian, S.; Khorram, S.; Sadeghi, N.

2011-01-01

In a dc-magnetron discharge with argon feed gas, densities of copper atoms in the ground state Cu(2S1/2) and metastable state Cu*(2D5/2) were measured by the resonance absorption technique, using a commercial hollow cathode lamp as light source. The operating conditions were 0.3-14 µbar argon pressure and 10-200 W magnetron discharge power. The deposition rate of copper in a substrate positioned at 18 cm from the target was also measured with a quartz microbalance. The gas temperature, in the range 300-380 K, was deduced from the emission spectral profile of N2(C 3Πu - B 3Πg) 0-0 band at 337 nm when trace of nitrogen was added to the argon feed gas. The isotope-shifts and hyperfine structures of electronic states of Cu have been taken into account to deduce the emission and absorption line profiles, and hence for the determination of atoms' densities from the measured absorption rates. To prevent error in the evaluation of Cu density, attributed to the line profile distortion by auto-absorption inside the lamp, the lamp current was limited to 5 mA. Density of Cu(2S1/2) atoms and deposition rate both increased with the enhanced magnetron discharge power. But at fixed power, the copper density augmented with argon pressure whereas the deposition rate followed the opposite trend. Whatever the gas pressure, the density of Cu*(2D5/2) metastable atoms remained below the detection limit of 1 × 1010 cm-3 for magnetron discharge powers below 50 W and hence increased much more rapidly than the density of Cu(2S1/2) atoms, over passing this later at some discharge power, whose value decreases with increasing argon pressure. This behaviour is believed to result from the enhancement of plasma density with increasing discharge power and argon pressure, which would increase the excitation rate of copper into metastable states. At fixed pressure, the deposition rate followed the same trend as the total density of copper atoms in the ground and metastable states. Two important conclusions of this work are (i) copper atoms sputtered from the target under ion bombardment are almost all in the ground state Cu(2S1/2) and hence in the plasma volume they can be excited into the metastable states; (ii) all atoms in the long-lived ground and metastable states contribute to the deposition of copper layer on the substrate.

Quantum control and measurement of atomic spins in polarization spectroscopy

NASA Astrophysics Data System (ADS)

Deutsch, Ivan H.; Jessen, Poul S.

2010-03-01

Quantum control and measurement are two sides of the same coin. To affect a dynamical map, well-designed time-dependent control fields must be applied to the system of interest. To read out the quantum state, information about the system must be transferred to a probe field. We study a particular example of this dual action in the context of quantum control and measurement of atomic spins through the light-shift interaction with an off-resonant optical probe. By introducing an irreducible tensor decomposition, we identify the coupling of the Stokes vector of the light field with moments of the atomic spin state. This shows how polarization spectroscopy can be used for continuous weak measurement of atomic observables that evolve as a function of time. Simultaneously, the state-dependent light shift induced by the probe field can drive nonlinear dynamics of the spin, and can be used to generate arbitrary unitary transformations on the atoms. We revisit the derivation of the master equation in order to give a unified description of spin dynamics in the presence of both nonlinear dynamics and photon scattering. Based on this formalism, we review applications to quantum control, including the design of state-to-state mappings, and quantum-state reconstruction via continuous weak measurement on a dynamically controlled ensemble.

First Born amplitude for transitions from a circular state to a state of large (l, m)

NASA Astrophysics Data System (ADS)

Dewangan, D. P.

2005-01-01

The use of cylindrical polar coordinates instead of the conventional spherical polar coordinates enables us to derive compact expressions of the first Born amplitude for some selected sets of transitions from an arbitrary initial circular \\big|\\psi_{n_i,n_i-1,n_i-1}\\big\\rangle state to a final \\big|\\psi_{n_f,l_f,m_f}\\big\\rangle state of large (lf, mf). The formulae for \\big|\\psi_{n_i,n_i-1,n_i-1}\\big\\rangle \\longrightarrow \\big|\\psi_{n_f,n_f-1,n_f-2}\\big\\rangle and \\big|\\psi_{n_i,n_i-1,n_i-1}\\big\\rangle \\longrightarrow \\big|\\psi_{n_f,n_f-1,n_f-3}\\big\\rangle transitions are expressed in terms of the Jacobi polynomials which serve as suitable starting points for constructing complete solutions over the bound energy levels of hydrogen-like atoms. The formulae for \\big|\\psi_{n_i,n_i-1,n_i-1}\\big\\rangle \\longrightarrow \\big|\\psi_{n_f,n_f-1,-(n_f-2)}\\big\\rangle and \\big|\\psi_{n_i,n_i-1,n_i-1}\\big\\rangle \\longrightarrow \\big|\\psi_{n_f,n_f-1,-(n_f-3)}\\big\\rangle transitions are in simple algebraic forms and are directly applicable to all possible values of ni and nf. It emerges that the method can be extended to evaluate the first Born amplitude for many other transitions involving states of large (l, m).

Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach

PubMed Central

2014-01-01

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y7P, a5S, and y5P excited states. The necessary Cr–He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z7P ← a7S, y7P ← a7S, z5P ← a5S, and y5P ← a5S are compared to recent fluorescence and photoionization experiments. PMID:24906160

Solvation and spectral line shifts of chromium atoms in helium droplets based on a density functional theory approach.

PubMed

Ratschek, Martin; Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E

2014-08-21

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y(7)P, a(5)S, and y(5)P excited states. The necessary Cr-He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z(7)P ← a(7)S, y(7)P ← a(7)S, z(5)P ← a(5)S, and y(5)P ← a(5)S are compared to recent fluorescence and photoionization experiments.

Adiabatic quantum computation with neutral atoms via the Rydberg blockade

NASA Astrophysics Data System (ADS)

Goyal, Krittika; Deutsch, Ivan

2011-05-01

We study a trapped-neutral-atom implementation of the adiabatic model of quantum computation whereby the Hamiltonian of a set of interacting qubits is changed adiabatically so that its ground state evolves to the desired output of the algorithm. We employ the ``Rydberg blockade interaction,'' which previously has been used to implement two-qubit entangling gates in the quantum circuit model. Here it is employed via off-resonant virtual dressing of the excited levels, so that atoms always remain in the ground state. The resulting dressed-Rydberg interaction is insensitive to the distance between the atoms within a certain blockade radius, making this process robust to temperature and vibrational fluctuations. Single qubit interactions are implemented with global microwaves and atoms are locally addressed with light shifts. With these ingredients, we study a protocol to implement the two-qubit Quadratic Unconstrained Binary Optimization (QUBO) problem. We model atom trapping, addressing, coherent evolution, and decoherence. We also explore collective control of the many-atom system and generalize the QUBO problem to multiple qubits. We study a trapped-neutral-atom implementation of the adiabatic model of quantum computation whereby the Hamiltonian of a set of interacting qubits is changed adiabatically so that its ground state evolves to the desired output of the algorithm. We employ the ``Rydberg blockade interaction,'' which previously has been used to implement two-qubit entangling gates in the quantum circuit model. Here it is employed via off-resonant virtual dressing of the excited levels, so that atoms always remain in the ground state. The resulting dressed-Rydberg interaction is insensitive to the distance between the atoms within a certain blockade radius, making this process robust to temperature and vibrational fluctuations. Single qubit interactions are implemented with global microwaves and atoms are locally addressed with light shifts. With these ingredients, we study a protocol to implement the two-qubit Quadratic Unconstrained Binary Optimization (QUBO) problem. We model atom trapping, addressing, coherent evolution, and decoherence. We also explore collective control of the many-atom system and generalize the QUBO problem to multiple qubits. We acknowledge funding from the AQUARIUS project, Sandia National Laboratories

Lineshapes of Dipole-Dipole Resonances in a Cold Rydberg Gas

NASA Astrophysics Data System (ADS)

Richards, B. G.; Jones, R. R.

2015-05-01

We have examined the lineshapes associated with Stark tuned, dipole-dipole resonances involving Rydberg atoms in a cold gas. Rb atoms in a MOT are laser excited from the 5 p level to 32p3 / 2 in the presence of a weak electric field. A fast rising electric field pulse Stark tunes the total energy of two 32 p atom pairs so it is (nearly) degenerate with that of the 32s1 / 2+33s1 / 2 states. Because of the dipole-dipole coupling, atom pairs separated by a distance R, develop 32s1 / 2+33s1 / 2 character. The maximum probability for finding atoms in s-states depends on the detuning from degeneracy and on the dipole-dipole coupling. We obtain the ``resonance'' lineshape by measuring, via state-selective field ionization, the s-state population as a function of the tuning field. The resonance width decreases with density due to R-3 dependence of the dipole-dipole coupling. In principle, the lineshape provides information about the distribution of Rydberg atom spacings in the sample. For equally spaced atoms, the lineshape should be Lorentzian while for a random nearest neighbor distribution it appears as a cusp. At low densities nearly Gaussian lineshapes are observed with widths that are too large to be the result of inhomogeneous electric or magnetic fields. Supported by the NSF.

Experimental studies of electron impact depopulation of excited states of atoms: applications to laser development for fusion and isotope separation. Final report, 1 January 1977-30 June 1979

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lubell, M.S.

1980-06-01

Motivated by the need for measurements of metastable depopulation mechanisms of Ar and Kr in the KrF rare-gas monohalide excimer laser, an ultra-high vacuum triple crossed-beams apparatus has been designed, fabricated, and assembled for the purpose of studying electron scattering from excited states of Ar and Kr atoms. A beam of metastable rare gas atoms, produced by near-resonant charge transfer of rare gas ions with alkali neutral atoms, is crossed by an electron beam and a far-red laser beam along mutually orthogonal axes. A hemispherical electron monochromator-spectrometer pair is used to measure the cross section for electron scattering from themore » 2p/sub 9/ excited state of the rare gas atom. Testing of parts of the assembled apparatus has been completed.« less

Cooling flexural modes of a mechanical oscillator by magnetically trapped Bose-Einstein-condensate atoms

NASA Astrophysics Data System (ADS)

Xu, Donghong; Xue, Fei

2017-12-01

We theoretically study cooling of flexural modes of a mechanical oscillator by Bose-Einstein-condensate (BEC) atoms (Rb87) trapped in a magnetic trap. The mechanical oscillator with a tiny magnet attached on one of its free ends produces an oscillating magnetic field. When its oscillating frequency matches certain hyperfine Zeeman energy of Rb87 atoms, the trapped BEC atoms are coupled out of the magnetic trap by the mechanical oscillator, flying away from the trap with stolen energy from the mechanical oscillator. Thus the mode temperature of the mechanical oscillator is reduced. The mode temperature of the steady state of mechanical oscillator, measured by the mean steady-state phonon number in the flexural mode of the mechanical oscillator, is analyzed. It is found that ground state (phonon number less than 1) may be accessible with optimal parameters of the hybrid system of mechanical oscillator and trapped BEC atoms.

Research on System Coherence Evolution of Different Environmental Models

NASA Astrophysics Data System (ADS)

Zhang, Si-Qi; Lu, Jing-Bin; Li, Hong; Liu, Ji-Ping; Zhang, Xiao-Ru; Liu, Han; Liang, Yu; Ma, Ji; Liu, Xiao-Jing; Wu, Xiang-Yao

2018-04-01

In this paper, we have studied the evolution curve of two-level atomic system that the initial state is excited state. At the different of environmental reservoir models, which include the single Lorentzian, ideal photon band-gap, double Lorentzian and square Lorentzian reservoir, we researched the influence of these environmental reservoir models on the evolution of energy level population. At static no modulation, comparing the four environmental models, the atomic energy level population oscillation of square Lorentzian reservoir model is fastest, and the atomic system decoherence is slowest. Under dynamic modulation, comparing the photon band-gap model with the single Lorentzian reservoir model, no matter what form of dynamic modulation, the time of atoms decay to the ground state is longer for the photonic band-gap model. These conclusions make the idea of using the environmental change to modulate the coherent evolution of atomic system become true.

Entanglement distillation for quantum communication network with atomic-ensemble memories.

PubMed

Li, Tao; Yang, Guo-Jian; Deng, Fu-Guo

2014-10-06

Atomic ensembles are effective memory nodes for quantum communication network due to the long coherence time and the collective enhancement effect for the nonlinear interaction between an ensemble and a photon. Here we investigate the possibility of achieving the entanglement distillation for nonlocal atomic ensembles by the input-output process of a single photon as a result of cavity quantum electrodynamics. We give an optimal entanglement concentration protocol (ECP) for two-atomic-ensemble systems in a partially entangled pure state with known parameters and an efficient ECP for the systems in an unknown partially entangled pure state with a nondestructive parity-check detector (PCD). For the systems in a mixed entangled state, we introduce an entanglement purification protocol with PCDs. These entanglement distillation protocols have high fidelity and efficiency with current experimental techniques, and they are useful for quantum communication network with atomic-ensemble memories.

Exotic topological density waves in cold atomic Rydberg-dressed fermions

PubMed Central

Li, Xiaopeng; Sarma, S Das

2015-01-01

Versatile controllability of interactions in ultracold atomic and molecular gases has now reached an era where quantum correlations and unconventional many-body phases can be studied with no corresponding analogues in solid-state systems. Recent experiments in Rydberg atomic gases have achieved exquisite control over non-local interactions, allowing novel quantum phases unreachable with the usual local interactions in atomic systems. Here we study Rydberg-dressed atomic fermions in a three-dimensional optical lattice predicting the existence of hitherto unheard-of exotic mixed topological density wave phases. By varying the spatial range of the non-local interaction, we find various chiral density waves with spontaneous time-reversal symmetry breaking, whose quasiparticles form three-dimensional quantum Hall and Weyl semimetal states. Remarkably, certain density waves even exhibit mixed topologies beyond the existing topological classification. Our results suggest gapless fermionic states could exhibit far richer topology than previously expected. PMID:25972134

Calculations of long-range three-body interactions for He(n0λS )-He(n0λS )-He(n0'λL )

NASA Astrophysics Data System (ADS)

Yan, Pei-Gen; Tang, Li-Yan; Yan, Zong-Chao; Babb, James F.

2018-04-01

We theoretically investigate long-range interactions between an excited L -state He atom and two identical S -state He atoms for the cases of the three atoms all in spin-singlet states or all in spin-triplet states, denoted by He(n0λS )-He(n0λS )-He(n0'λL ), with n0 and n0' principal quantum numbers, λ =1 or 3 the spin multiplicity, and L the orbital angular momentum of a He atom. Using degenerate perturbation theory for the energies up to second-order, we evaluate the coefficients C3 of the first-order dipolar interactions and the coefficients C6 and C8 of the second-order additive and nonadditive interactions. Both the dipolar and dispersion interaction coefficients, for these three-body degenerate systems, show dependences on the geometrical configurations of the three atoms. The nonadditive interactions start to appear in second-order. To demonstrate the results and for applications, the obtained coefficients Cn are evaluated with highly accurate variationally generated nonrelativistic wave functions in Hylleraas coordinates for He(1 1S ) -He(1 1S ) -He(2 1S ) , He(1 1S ) -He(1 1S ) -He(2 1P ) , He(2 1S ) -He(2 1S ) -He(2 1P ) , and He(2 3S ) -He(2 3S ) -He(2 3P ) . The calculations are given for three like nuclei for the cases of hypothetical infinite mass He nuclei, and of real finite mass 4He or 3He nuclei. The special cases of the three atoms in equilateral triangle configurations are explored in detail, and for the cases in which one of the atoms is in a P state, we also present results for the atoms in an isosceles right triangle configuration or in an equally spaced collinear configuration. The results can be applied to construct potential energy surfaces for three helium atom systems.

Quasideterministic generation of maximally entangled states of two mesoscopic atomic ensembles by adiabatic quantum feedback

DOE Office of Scientific and Technical Information (OSTI.GOV)

Di Lisi, Antonio; De Siena, Silvio; Illuminati, Fabrizio

2005-09-15

We introduce an efficient, quasideterministic scheme to generate maximally entangled states of two atomic ensembles. The scheme is based on quantum nondemolition measurements of total atomic populations and on adiabatic quantum feedback conditioned by the measurements outputs. The high efficiency of the scheme is tested and confirmed numerically for ideal photodetection as well as in the presence of losses.

Phase-sensitive atomic dynamics in quantum light

NASA Astrophysics Data System (ADS)

Balybin, S. N.; Zakharov, R. V.; Tikhonova, O. V.

2018-05-01

Interaction between a quantum electromagnetic field and a model Ry atom with possible transitions to the continuum and to the low-lying resonant state is investigated. Strong sensitivity of atomic dynamics to the phase of applied coherent and squeezed vacuum light is found. Methods to extract the quantum field phase performing the measurements on the atomic system are proposed. In the case of the few-photon coherent state high accuracy of the phase determination is demonstrated, which appears to be much higher in comparison to the usually used quantum-optical methods such as homodyne detection.

Coherence properties and quantum state transportation in an optical conveyor belt.

PubMed

Kuhr, S; Alt, W; Schrader, D; Dotsenko, I; Miroshnychenko, Y; Rosenfeld, W; Khudaverdyan, M; Gomer, V; Rauschenbeutel, A; Meschede, D

2003-11-21

We have prepared and detected quantum coherences of trapped cesium atoms with long dephasing times. Controlled transport by an "optical conveyor belt" over macroscopic distances preserves the atomic coherence with slight reduction of coherence time. The limiting dephasing effects are experimentally identified, and we present an analytical model of the reversible and irreversible dephasing mechanisms. Our experimental methods are applicable at the single-atom level. Coherent quantum bit operations along with quantum state transport open the route towards a "quantum shift register" of individual neutral atoms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trubilko, A. I., E-mail: trubilko.andrey@gmail.com

Coherent scattering of a two-level atom in the field of a quantized standing wave of a micromaser is considered under conditions of initial quantum correlation between the atom and the field. Such a correlation can be produced by a broadband parametric source. The interaction leading to scattering of the atom from the nonuniform field occurs in the dispersion limit or in the wing of the absorption line of the atom. Apart from the quantized field, the atom simultaneously interacts with two classical counterpropagating waves with different frequencies, which are acting in the plane perpendicular to the atom’s propagation velocity andmore » to the wavevector of the standing wave. Joint action of the quantized field and two classical waves induces effective two-photon and Raman resonance interaction on the working transition. The effective Hamiltonian of the interaction is derived using the unitary transformation method developed for a moving atom. A strong effect is detected, which makes it possible to distinguish the correlated initial state of the atom and the field in the scattering of atom from the state of independent systems. For all three waves, scattering is not observed when systems with quantum correlation are prepared using a high-intensity parametric source. Conversely, when the atom interacts only with the nonuniform field of the standing wave, scattering is not observed in the case of the initial factorized state.« less

Experimental Observation of One-Dimensional Superradiance Lattices in Ultracold Atoms

NASA Astrophysics Data System (ADS)

Chen, Liangchao; Wang, Pengjun; Meng, Zengming; Huang, Lianghui; Cai, Han; Wang, Da-Wei; Zhu, Shi-Yao; Zhang, Jing

2018-05-01

We measure the superradiant emission in a one-dimensional (1D) superradiance lattice (SL) in ultracold atoms. Resonantly excited to a superradiant state, the atoms are further coupled to other collectively excited states, which form a 1D SL. The directional emission of one of the superradiant excited states in the 1D SL is measured. The emission spectra depend on the band structure, which can be controlled by the frequency and intensity of the coupling laser fields. This work provides a platform for investigating the collective Lamb shift of resonantly excited superradiant states in Bose-Einstein condensates and paves the way for realizing higher dimensional superradiance lattices.

Potential energy surfaces for atomic oxygen reactions: Formation of singlet and triplet biradicals as primary reaction products with unsaturated organic molecules

NASA Technical Reports Server (NTRS)

Jaffe, Richard L.

1987-01-01

The experimental study of the interaction of atomic oxygen with organic polymer films under LEO conditions has been hampered by the inability to conduct detailed experiments in situ. As a result, studies of the mechanism of oxygen atom reactions have relied on laboratory O-atom sources that do not fully reproduce the orbital environment. For example, it is well established that only ground electronic state O atoms are present at LEO, yet most ground-based sources are known to produce singlet O atoms and molecules and ions in addition to O(3P). Engineers should not rely on such facilities unless it can be demonstrated either that these different O species are inert or that they react in the same fashion as ground state atoms. Ab initio quantum chemical calculations have been aimed at elucidating the biradical intermediates formed during the electrophilic addition of ground and excited-state O atoms to carbon-carbon double bonds in small olefins and aromatic molecules. These biradicals are critical intermediates in any possible insertion, addition and elimination reaction mechanisms. Through these calculations, we will be able to comment on the relative importance of these pathways for O(3P) and O(1D) reactions. The reactions of O atoms with ethylene and benzene are used to illustrate the important features of the mechanisms of atomic oxygen reaction with unsaturated organic compounds and polymeric materials.

Tunable ion-photon entanglement in an optical cavity.

PubMed

Stute, A; Casabone, B; Schindler, P; Monz, T; Schmidt, P O; Brandstätter, B; Northup, T E; Blatt, R

2012-05-23

Proposed quantum networks require both a quantum interface between light and matter and the coherent control of quantum states. A quantum interface can be realized by entangling the state of a single photon with the state of an atomic or solid-state quantum memory, as demonstrated in recent experiments with trapped ions, neutral atoms, atomic ensembles and nitrogen-vacancy spins. The entangling interaction couples an initial quantum memory state to two possible light-matter states, and the atomic level structure of the memory determines the available coupling paths. In previous work, the transition parameters of these paths determined the phase and amplitude of the final entangled state, unless the memory was initially prepared in a superposition state (a step that requires coherent control). Here we report fully tunable entanglement between a single (40)Ca(+) ion and the polarization state of a single photon within an optical resonator. Our method, based on a bichromatic, cavity-mediated Raman transition, allows us to select two coupling paths and adjust their relative phase and amplitude. The cavity setting enables intrinsically deterministic, high-fidelity generation of any two-qubit entangled state. This approach is applicable to a broad range of candidate systems and thus is a promising method for distributing information within quantum networks.

Rydberg dressing of atoms in optical lattices

NASA Astrophysics Data System (ADS)

Macrı, T.; Pohl, T.

2014-01-01

We study atoms in optical lattices whose electronic ground state is off-resonantly coupled to a highly excited state with strong binary interactions. We present a time-dependent treatment of the resulting quantum dynamics, which—contrary to recent predictions [36 Li, Ates, and Lesanovsky, Phys. Rev. Lett. 110, 213005 (2013), 10.1103/PhysRevLett.110.213005]—proves that the strong repulsion between the weakly admixed Rydberg states does not lead to atomic trap loss. This finding provides an important basis for creating and manipulating coherent long-range interactions in optical lattice experiments.

Entanglement Evolution of Jaynes-Cummings Model in Resonance Case and Non-resonance Case

NASA Astrophysics Data System (ADS)

Cheng, Jing; Chen, Xi; Shan, Chuan-Jia

2018-06-01

We investigate the entanglement evolution of a two-level atom and a quantized single model electromagnetic filed in the resonance and non-resonance cases. The effects of the initial state, detuning degree, photon number on the entanglement are shown in detail. The results show that the atom-cavity entanglement state appears with periodicity. The increasing of the photon number can make the period of quantum entanglement be shorter. In the non-resonant case, if we choose the suitable initial state the entanglement of atom-cavity can be 1.0

Dissipation-based entanglement via quantum Zeno dynamics and Rydberg antiblockade

NASA Astrophysics Data System (ADS)

Shao, X. Q.; Wu, J. H.; Yi, X. X.

2017-06-01

A scheme is proposed for dissipative generation of maximally entanglement between two Rydberg atoms in the context of cavity QED. The spontaneous emission of atoms combined with quantum Zeno dynamics and the Rydberg antiblockade guarantees a unique steady solution of the master equation of the system, which just corresponds to the antisymmetric Bell state |S > . The convergence rate can be accelerated by the ground-state blockade mechanism of Rydberg atoms. Meanwhile the effect of cavity decay is suppressed by the Zeno requirement, leading to a steady-state fidelity about 90 % as the single-atom cooperativity parameter C ≡g2/(κ γ ) =10 , and this restriction is further relaxed to C =5.2 once the quantum-jump-based feedback control is exploited.

Adiabatic Quantum Computing via the Rydberg Blockade

NASA Astrophysics Data System (ADS)

Keating, Tyler; Goyal, Krittika; Deutsch, Ivan

2012-06-01

We study an architecture for implementing adiabatic quantum computation with trapped neutral atoms. Ground state atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study the performance of a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. We model a realistic architecture, including the effects of magnetic level structure, with qubits encoded into the clock states of ^133Cs, effective B-fields implemented through microwaves and light shifts, and atom-atom coupling achieved by excitation to a high-lying Rydberg level. Including the fundamental effects of photon scattering we find a high fidelity for the two-qubit implementation.

Ultrafast Pulse Sequencing for Fast Projective Measurements of Atomic Hyperfine Qubits

NASA Astrophysics Data System (ADS)

Ip, Michael; Ransford, Anthony; Campbell, Wesley

2015-05-01

Projective readout of quantum information stored in atomic hyperfine structure typically uses state-dependent CW laser-induced fluorescence. This method requires an often sophisticated imaging system to spatially filter out the background CW laser light. We present an alternative approach that instead uses simple pulse sequences from a mode-locked laser to affect the same state-dependent excitations in less than 1 ns. The resulting atomic fluorescence occurs in the dark, allowing the placement of non-imaging detectors right next to the atom to improve the qubit state detection efficiency and speed. We also discuss methods of Doppler cooling with mode-locked lasers for trapped ions, where the creation of the necessary UV light is often difficult with CW lasers.

First-principles study on interlayer state in alkali and alkaline earth metal atoms intercalated bilayer graphene

NASA Astrophysics Data System (ADS)

Kaneko, Tomoaki; Saito, Riichiro

2017-11-01

Energetics and electronic structures of alkali metal (Li, Na, K, Rb, and Cs) and alkaline earth metal (Be, Mg, Ca, Sr, and Ba) atoms intercalated bilayer graphene are systematically investigated using first-principles calculations based on density functional theory. Formation of alkali and alkaline earth metal atoms intercalated bilayer graphene is exothermic except for Be and Mg. The interlayer state between two graphene layers is occupied for K, Rb, Cs, Ca, Sr, and Ba. We find that the energetic position of the interlayer states between bilayer graphene monotonically shifts downward with increasing of interlayer distance. The interlayer distances of more than 4.5 Å and 4.0 Å, respectively, are necessary for the occupation of the interlayer state in bilayer graphene for alkali and alkaline earth metal atoms, which is almost independent of the intercalant metal species. We discuss the relevance to occurrence of superconductivity for the metal intercalated bilayer graphene in terms of the occupation of the interlayer state and the phonon frequency of metal ions.

Ultrafast state detection and 2D ion crystals in a Paul trap

NASA Astrophysics Data System (ADS)

Ip, Michael; Ransford, Anthony; Campbell, Wesley

2016-05-01

Projective readout of quantum information stored in atomic qubits typically uses state-dependent CW laser-induced fluorescence. This method requires an often sophisticated imaging system to spatially filter out the background CW laser light. We present an alternative approach that instead uses simple pulse sequences from a mode-locked laser to affect the same state-dependent excitations in less than 1 ns. The resulting atomic fluorescence occurs in the dark, allowing the placement of non-imaging detectors right next to the atom to improve the qubit state detection efficiency and speed. We also study 2D Coulomb crystals of atomic ions in an oblate Paul trap. We find that crystals with hundreds of ions can be held in the trap, potentially offering an alternative to the use of Penning traps for the quantum simulation of 2D lattice spin models. We discuss the classical physics of these crystals and the metastable states that are supported in 2D. This work is supported by the US Army Research Office.

Quantum Gas Microscope for Fermionic Atoms

NASA Astrophysics Data System (ADS)

Okan, Melih; Cheuk, Lawrence; Nichols, Matthew; Lawrence, Katherine; Zhang, Hao; Zwierlein, Martin

2016-05-01

Strongly interacting fermions define the properties of complex matter throughout nature, from atomic nuclei and modern solid state materials to neutron stars. Ultracold atomic Fermi gases have emerged as a pristine platform for the study of many-fermion systems. In this poster we demonstrate the realization of a quantum gas microscope for fermionic 40 K atoms trapped in an optical lattice and the recent experiments which allows one to probe strongly correlated fermions at the single atom level. We combine 3D Raman sideband cooling with high- resolution optics to simultaneously cool and image individual atoms with single lattice site resolution at a detection fidelity above 95%. The imaging process leaves the atoms predominantly in the 3D motional ground state of their respective lattice sites, inviting the implementation of a Maxwell's demon to assemble low-entropy many-body states. Single-site resolved imaging of fermions enables the direct observation of magnetic order, time resolved measurements of the spread of particle correlations, and the detection of many-fermion entanglement. NSF, AFOSR-PECASE, AFOSR-MURI on Exotic Phases of Matter, ARO-MURI on Atomtronics, ONR, a Grant from the Army Research Office with funding from the DARPA OLE program, and the David and Lucile Packard Foundation.

Quantum-projection-noise-limited interferometry with coherent atoms in a Ramsey-type setup

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doering, D.; McDonald, G.; Debs, J. E.

2010-04-15

Every measurement of the population in an uncorrelated ensemble of two-level systems is limited by what is known as the quantum projection noise limit. Here, we present quantum-projection-noise-limited performance of a Ramsey-type interferometer using freely propagating coherent atoms. The experimental setup is based on an electro-optic modulator in an inherently stable Sagnac interferometer, optically coupling the two interfering atomic states via a two-photon Raman transition. Going beyond the quantum projection noise limit requires the use of reduced quantum uncertainty (squeezed) states. The experiment described demonstrates atom interferometry at the fundamental noise level and allows the observation of possible squeezing effectsmore » in an atom laser, potentially leading to improved sensitivity in atom interferometers.« less

Polarization insensitive frequency conversion for an atom-photon entanglement distribution via a telecom network.

PubMed

Ikuta, Rikizo; Kobayashi, Toshiki; Kawakami, Tetsuo; Miki, Shigehito; Yabuno, Masahiro; Yamashita, Taro; Terai, Hirotaka; Koashi, Masato; Mukai, Tetsuya; Yamamoto, Takashi; Imoto, Nobuyuki

2018-05-21

Long-lifetime quantum storages accessible to the telecom photonic infrastructure are essential to long-distance quantum communication. Atomic quantum storages have achieved subsecond storage time corresponding to 1000 km transmission time for a telecom photon through a quantum repeater algorithm. However, the telecom photon cannot be directly interfaced to typical atomic storages. Solid-state quantum frequency conversions fill this wavelength gap. Here we report on the experimental demonstration of a polarization-insensitive solid-state quantum frequency conversion to a telecom photon from a short-wavelength photon entangled with an atomic ensemble. Atom-photon entanglement has been generated with a Rb atomic ensemble and the photon has been translated to telecom range while retaining the entanglement by our nonlinear-crystal-based frequency converter in a Sagnac interferometer.

Dual species entanglement of Rb and Cs qubits with Rydberg blockade for crosstalk free qubit measurements

NASA Astrophysics Data System (ADS)

Baker, Kevin; Yu, Zhaoning; Ebert, Matthew; Sun, Yuan; Saffman, Mark

2016-05-01

One of the outstanding challenges facing neutral atom qubit approaches to quantum computation is suppression of crosstalk between proximal qubits due to scattered light that is generated during optical pumping and measurement operations. We have recently proposed a dual species approach to solving this challenge whereby computational qubits encoded in Cs atoms are entangled with Rb atoms via an interspecies Rydberg interaction. The quantum state of a Cs atom can then be readout by measuring the state of a Rb atom. The difference in resonant wavelengths of the two species effectively suppresses crosstalk. We will present progress towards experimental demonstration of dual species entanglement using Rb and Cs atoms cotrapped in a single beam optical trap. Work supported by the ARL CDQI.

Cryogenic and Simulated Fuel Jet Breakup in Argon, Helium and Nitrogen Gas Flows

NASA Technical Reports Server (NTRS)

Ingebo, Robert D.

1995-01-01

Two-phase flow atomization of liquid nitrogen jets was experimentally investigated. They were co-axially injected into high-velocity gas flows of helium, nitrogen and argon, respectively, and atomized internally inside a two-fluid fuel nozzle. Cryogenic sprays with relatively high specific surface areas were produced, i.e., ratios of surface area to volume were fairly high. This was indicated by values of reciprocal Sauter mean diameters, RSMD's, as measured with a scattered- light scanning instrument developed at NASA Lewis Research Center. Correlating expressions were derived for the three atomizing gases over a gas temperature range of 111 to 422 K. Also, the correlation was extended to include waterjet breakup data that had been previously obtained in simulating fuel jet breakup in sonic velocity gas flow. The final correlating expression included a new dimensionless molecular-scale acceleration group. It was needed to correlate RSMD data, for LN2 and H2O sprays, with the fluid properties of the liquid jets and atomizing gases used in this investigation.

Excitation of atoms and ions in plasmas by ultra-short electromagnetic pulses

NASA Astrophysics Data System (ADS)

Astapenko, V. A.; Sakhno, S. V.; Svita, S. Yu; Lisitsa, V. S.

2017-02-01

The problem of atoms and ions diagnostics in rarefied and dense plasmas by ultrashort laser pulses (USP) is under consideration. The application of USP provides: 1) excitation from ground states due to their carrier frequency high enough, 2) penetration into optically dense media due to short pulses duration. The excitation from ground atomic states increases sharply populations of excited atomic states in contrast with standard laser induced fluorescence spectroscopy based on radiative transitions between excited atomic states. New broadening parameter in radiation absorption, namely inverse pulse duration time 1/τ appears in addition to standard line-shape width in the profile G(ω). The Lyman-beta absorption spectra for USP are calculated for Holtsmark static broadening mechanism. Excitation of highly charged H-like ions in hot plasmas is described by both Gaussian shapes for Doppler broadening and pulse spectrum resulting in analytical absorption line-shape. USP penetration into optically thick media and corresponding excitation probability are calculated. It is shown a great effect of USP duration on excitation probabilities in optically thick media. The typical situations for plasma diagnostics by USP are discussed in details.

dParFit: A computer program for fitting diatomic molecule spectral data to parameterized level energy expressions

NASA Astrophysics Data System (ADS)

Le Roy, Robert J.

2017-01-01

This paper describes FORTRAN program dParFit, which performs least-squares fits of diatomic molecule spectroscopic data involving one or more electronic states and one or more isotopologues, to parameterized expressions for the level energies. The data may consist of any combination of microwave, infrared or electronic vibrotational bands, fluorescence series or binding energies (from photo-association spectroscopy). The level energies for each electronic state may be described by one of: (i) band constants {Gv ,Bv ,Dv , … } for each vibrational level, (ii) generalized Dunham expansions, (iii) pure near-dissociation expansions (NDEs), (iv) mixed Dunham/NDE expressions, or (v) individual term values for each distinct level of each isotopologue. Different representations may be used for different electronic states and/or for different types of constants in a given fit (e.g., Gv and Bv may be represented one way and centrifugal distortion constants another). The effect of Λ-doubling or 2Σ splittings may be represented either by band constants (qvB or γvB, qvD or γvD, etc.) for each vibrational level of each isotopologue, or by using power series expansions in (v + 1/2) to represent those constants. Fits to Dunham or NDE expressions automatically incorporate normal first-order semiclassical mass scaling to allow combined analyses of multi-isotopologue data. In addition, dParFit may fit to determine atomic-mass-dependent terms required to account for breakdown of the Born-Oppenheimer and first-order semiclassical approximations. In any of these types of fits, one or more subsets of these parameters for one or more of the electronic states may be held fixed, while a limited parameter set is varied. The program can also use a set of read-in constants to make predictions and calculate deviations [ycalc -yobs ] for any chosen input data set, or to generate predictions of arbitrary data sets.

Entanglement-Enhanced Phase Estimation without Prior Phase Information

NASA Astrophysics Data System (ADS)

Colangelo, G.; Martin Ciurana, F.; Puentes, G.; Mitchell, M. W.; Sewell, R. J.

2017-06-01

We study the generation of planar quantum squeezed (PQS) states by quantum nondemolition (QND) measurement of an ensemble of Rb 87 atoms with a Poisson distributed atom number. Precise calibration of the QND measurement allows us to infer the conditional covariance matrix describing the Fy and Fz components of the PQS states, revealing the dual squeezing characteristic of PQS states. PQS states have been proposed for single-shot phase estimation without prior knowledge of the likely values of the phase. We show that for an arbitrary phase, the generated PQS states can give a metrological advantage of at least 3.1 dB relative to classical states. The PQS state also beats, for most phase angles, single-component-squeezed states generated by QND measurement with the same resources and atom number statistics. Using spin squeezing inequalities, we show that spin-spin entanglement is responsible for the metrological advantage.

Composite pulses for interferometry in a thermal cold atom cloud

NASA Astrophysics Data System (ADS)

Dunning, Alexander; Gregory, Rachel; Bateman, James; Cooper, Nathan; Himsworth, Matthew; Jones, Jonathan A.; Freegarde, Tim

2014-09-01

Atom interferometric sensors and quantum information processors must maintain coherence while the evolving quantum wave function is split, transformed, and recombined, but suffer from experimental inhomogeneities and uncertainties in the speeds and paths of these operations. Several error-correction techniques have been proposed to isolate the variable of interest. Here we apply composite pulse methods to velocity-sensitive Raman state manipulation in a freely expanding thermal atom cloud. We compare several established pulse sequences, and follow the state evolution within them. The agreement between measurements and simple predictions shows the underlying coherence of the atom ensemble, and the inversion infidelity in a ˜80μK atom cloud is halved. Composite pulse techniques, especially if tailored for atom interferometric applications, should allow greater interferometer areas, larger atomic samples, and longer interaction times, and hence improve the sensitivity of quantum technologies from inertial sensing and clocks to quantum information processors and tests of fundamental physics.

Acceleration of metal-atom diffusion in electric field at metal/insulator interfaces: First-principles study

NASA Astrophysics Data System (ADS)

Nagasawa, Riki; Asayama, Yoshihiro; Nakayama, Takashi

2018-04-01

Metal-atom diffusion from metal electrodes into SiO2 in electric fields was studied using first-principles calculations. It was shown in the case without electric field that the diffusion barrier of a metal atom is mainly made of the cohesive energy of bulk metal layers, while the shape of the diffusion potential reflects the hybridization of the metal-atom state with metal-induced gap states (MIGSs) and the electron transfer between the metal atom and the electrode. We found that the metal-atom diffusion is markedly accelerated by the applied electric field, such that the diffusion barrier ϕB(E) decreases almost linearly with increasing electric field strength E. By analyzing the physical origins of the metal-atom diffusion, we derived the universal formula to estimate the diffusion barrier in the electric field, which is closely related to MIGSs.

Coherent quantum depletion of an interacting atom condensate

PubMed Central

Kira, M.

2015-01-01

Sufficiently strong interactions promote coherent quantum transitions in spite of thermalization and losses, which are the adversaries of delicate effects such as reversibility and correlations. In atomic Bose–Einstein condensates (BECs), strong atom–atom interactions can eject atoms from the BEC to the normal component, yielding quantum depletion instead of temperature depletion. A recent experiment has already been verified to overcome losses. Here I show that it also achieves coherent quantum-depletion dynamics in a BEC swept fast enough from weak to strong atom–atom interactions. The elementary coherent process first excites the normal component into a liquid state that evolves into a spherical shell state, where the atom occupation peaks at a finite momentum to shield 50% of the BEC atoms from annihilation. The identified coherent processes resemble ultrafast semiconductor excitations expanding the scope of BEC explorations to many-body non-equilibrium studies. PMID:25767044

Thermodynamic properties of fullerite C70

NASA Astrophysics Data System (ADS)

Rekhviashvili, S. Sh.

2017-08-01

A new expression for the isochoric heat capacity and the equation of state of fullerite C70 are obtained in the framework of a quantum-statistical method. Analogs of the Debye law and Dulong-Petit law for this fullerite are formulated. Fullerene C70 molecules are modeled by isotropic quantum oscillators under the assumption that their nonsphericity weakly influences the thermodynamic properties of the condensed phase. The intramolecular oscillations of carbon atoms are described using the Debye theory and the cold contribution to the free energy of fullerite is calculated using the Lennard-Jones pair potential for fullerene molecules. A comparison of the proposed theory to experiment shows good agreement.

Effects of atomic explosions on the frequency of tornadoes in the United States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, D.L.

1951-01-01

The increase in tornadoes reported in the United States during the past few years is ascribed to better reporting procedures rather than the presence of atomic debris. Maps showing the distribution of fall-out in the United States during the first and second halves of May, 1953, are given.

From single magnetic adatoms on superconductors to coupled spin chains

NASA Astrophysics Data System (ADS)

Franke, Katharina J.

Magnetic adsorbates on conventional s-wave superconductors lead to exchange interactions that induce Yu-Shiba-Rusinov (YSR) states inside the superconducting energy gap. Here, we employ tunneling spectroscopy at 1.1 K to investigate magnetic atoms and chains on superconducting Pb surfaces. We show that individual Manganese (Mn) atoms give rise to a distinct number of YSR-states. The single-atom junctions are stable over several orders of magnitude in conductance. We identify single-electron tunneling as well as Andreev processes. When the atoms are brought into sufficiently close distance, the Shiba states hybridize, thus giving rise to states with bonding and anti-bonding character. It has been shown that the Pb(110) surface supports the self-assembly of Fe chains, which exhibit fingerprints of Majorana bound states. Using superconducting tips, we resolve a rich subgap structure including peaks at zero energy and low-energy resonances, which overlap with the putative Majorana states. We gratefully acknowledge funding by the Deutsche Forschungsgemeinschaft through collaborative research Grant Sfb 658, and through Grant FR2726/4, as well by the European Research Council through Consolidator Grant NanoSpin.

Relativistic potential energy surfaces of initial oxidations of Si(100) by atomic oxygen: The importance of surface dimer triplet state

NASA Astrophysics Data System (ADS)

Kim, Tae-Rae; Shin, Seokmin; Choi, Cheol Ho

2012-06-01

The non-relativistic and relativistic potential energy surfaces (PESs) of the symmetric and asymmetric reaction paths of Si(100)-2×1 oxidations by atomic oxygen were theoretically explored. Although only the singlet PES turned out to exist as a major channel leading to "on-dimer" product, both the singlet and triplet PESs leading to "on-top" products are attractive. The singlet PESs leading to the two surface products were found to be the singlet combinations (open-shell singlet) of the low-lying triplet state of surface silicon dimer and the ground 3P state of atomic oxygen. The triplet state of the "on-top" product can also be formed by the ground singlet state of the surface silicon dimer and the same 3P oxygen. The attractive singlet PESs leading to the "on-dimer" and "on-top" products made neither the intersystem crossings from triplet to singlet PES nor high energy 1D of atomic oxygen necessary. Rather, the low-lying triplet state of surface silicon dimer plays an important role in the initial oxidations of silicon surface.

Real-space imaging of a topologically protected edge state with ultracold atoms in an amplitude-chirped optical lattice

PubMed Central

Leder, Martin; Grossert, Christopher; Sitta, Lukas; Genske, Maximilian; Rosch, Achim; Weitz, Martin

2016-01-01

To describe a mobile defect in polyacetylene chains, Su, Schrieffer and Heeger formulated a model assuming two degenerate energy configurations that are characterized by two different topological phases. An immediate consequence was the emergence of a soliton-type edge state located at the boundary between two regions of different configurations. Besides giving first insights in the electrical properties of polyacetylene materials, interest in this effect also stems from its close connection to states with fractional charge from relativistic field theory. Here, using a one-dimensional optical lattice for cold rubidium atoms with a spatially chirped amplitude, we experimentally realize an interface between two spatial regions of different topological order in an atomic physics system. We directly observe atoms confined in the edge state at the intersection by optical real-space imaging and characterize the state as well as the size of the associated energy gap. Our findings hold prospects for the spectroscopy of surface states in topological matter and for the quantum simulation of interacting Dirac systems. PMID:27767054

Semiclassical approach to atomic decoherence by gravitational waves

NASA Astrophysics Data System (ADS)

Quiñones, D. A.; Varcoe, B. T. H.

2018-01-01

A new heuristic model of interaction of an atomic system with a gravitational wave (GW) is proposed. In it, the GW alters the local electromagnetic field of the atomic nucleus, as perceived by the electron, changing the state of the system. The spectral decomposition of the wave function is calculated, from which the energy is obtained. The results suggest a shift in the difference of the atomic energy levels, which will induce a small detuning to a resonant transition. The detuning increases with the quantum numbers of the levels, making the effect more prominent for Rydberg states. We performed calculations on the Rabi oscillations of atomic transitions, estimating how they would vary as a result of the proposed effect.

Pseudospectral calculation of helium wave functions, expectation values, and oscillator strength

NASA Astrophysics Data System (ADS)

Grabowski, Paul E.; Chernoff, David F.

2011-10-01

We show that the pseudospectral method is a powerful tool for finding precise solutions of Schrödinger’s equation for two-electron atoms with general angular momentum. Realizing the method’s full promise for atomic calculations requires special handling of singularities due to two-particle Coulomb interactions. We give a prescription for choosing coordinates and subdomains whose efficacy we illustrate by solving several challenging problems. One test centers on the determination of the nonrelativistic electric dipole oscillator strength for the helium 11S→21P transition. The result achieved, 0.27616499(27), is comparable to the best in the literature. The formally equivalent length, velocity, and acceleration expressions for the oscillator strength all yield roughly the same accuracy. We also calculate a diverse set of helium ground-state expectation values, reaching near state-of-the-art accuracy without the necessity of implementing any special-purpose numerics. These successes imply that general matrix elements are directly and reliably calculable with pseudospectral methods. A striking result is that all the relevant quantities tested in this paper—energy eigenvalues, S-state expectation values and a bound-bound dipole transition between the lowest energy S and P states—converge exponentially with increasing resolution and at roughly the same rate. Each individual calculation samples and weights the configuration space wave function uniquely but all behave in a qualitatively similar manner. These results suggest that the method has great promise for similarly accurate treatment of few-particle systems.

Broadband photon-photon interactions mediated by cold atoms in a photonic crystal fiber

PubMed Central

Litinskaya, Marina; Tignone, Edoardo; Pupillo, Guido

2016-01-01

We demonstrate theoretically that photon-photon attraction can be engineered in the continuum of scattering states for pairs of photons propagating in a hollow-core photonic crystal fiber filled with cold atoms. The atoms are regularly spaced in an optical lattice configuration and the photons are resonantly tuned to an internal atomic transition. We show that the hard-core repulsion resulting from saturation of the atomic transitions induces bunching in the photonic component of the collective atom-photon modes (polaritons). Bunching is obtained in a frequency range as large as tens of GHz, and can be controlled by the inter-atomic separation. We provide a fully analytical explanation for this phenomenon by proving that correlations result from a mismatch of the quantization volumes for atomic excitations and photons in the continuum. Even stronger correlations can be observed for in-gap two-polariton bound states. Our theoretical results use parameters relevant for current experiments and suggest a simple and feasible way to induce interactions between photons. PMID:27170160

Observation of dynamic atom-atom correlation in liquid helium in real space

DOE PAGES

Dmowski, W.; Diallo, S. O.; Lokshin, K.; ...

2017-05-04

Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom–atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose–Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDFmore » peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom–atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.« less

Observation of dynamic atom-atom correlation in liquid helium in real space

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dmowski, W.; Diallo, S. O.; Lokshin, K.

Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom–atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose–Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDFmore » peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom–atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.« less

Quantum optical tests of complementarity: Quantum eraser and the decoherence time of a local measurement process

NASA Astrophysics Data System (ADS)

Abranyos, Yonatan

1999-10-01

Quantum optical tests of the fundamental principles of quantum mechanics, in particular, complementarity, entanglement and non-locality, are the central themes of this dissertation. A which-path experiment is implemented based on a recent experiment by Eichmann et al. [1] involving two four-level atoms. In the version considered here a continuous Broad Band Excitation field drives the two trapped atoms and, depending on the type of scattering, information about which atom scattered the light is stored in the internal degrees of the atoms. Entanglement of the atoms-photon system is intimately connected to the availability of ``which way'' information. The quantum eraser disentangles the atoms-photon system and consequently ``which way'' information is lost leading to interference. Two different experimental schemes based on the Eichmann et al. experiment are proposed for the implementation of the quantum eraser. The quantum eraser schemes erase the ``which way'' information and interference is observed in the second order correlation function. With a slight modification of the experiment, a scheme that allows to verify recently derived inequalities by Englert [2] in connection with distinguishability and visibility in a two-way interferometer is proposed. These inequalities, in some sense, can be regarded as quantifying the notion of wave-particle duality. The visibility of interference depends on the detected polarization direction of the scattered light, and a reading out of the internal atomic states of one of the two atoms provides for partial ``which way'' information or distinguishability of the two different paths. Finally, the quantum eraser is used to measure the decoherence time of a local measurement process. The experiment proposed is similar to the quantum eraser setup and contains the complete measurement process of system-meter-environment interaction. The decoherence time is quantitatively expressed in the amount of reduction of the visibility in the second order correlation function. In addition, it explores how we can cast the question of quantum coherence of mesoscopic or macroscopic systems with a quantum eraser or in general interference experiments.

Resonance interaction energy between two entangled atoms in a photonic bandgap environment.

PubMed

Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia

2018-03-26

We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.

Interface architecture determined electrocatalytic activity of Pt on vertically oriented TiO(2) nanotubes.

PubMed

Rettew, Robert E; Allam, Nageh K; Alamgir, Faisal M

2011-02-01

The surface atomic structure and chemical state of Pt is consequential in a variety of surface-intensive devices. Herein we present the direct interrelationship between the growth scheme of Pt films, the resulting atomic and electronic structure of Pt species, and the consequent activity for methanol electro-oxidation in Pt/TiO(2) nanotube hybrid electrodes. X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) measurements were performed to relate the observed electrocatalytic activity to the oxidation state and the atomic structure of the deposited Pt species. The atomic structure as well as the oxidation state of the deposited Pt was found to depend on the pretreatment of the TiO(2) nanotube surfaces with electrodeposited Cu. Pt growth through Cu replacement increases Pt dispersion, and a separation of surface Pt atoms beyond a threshold distance from the TiO(2) substrate renders them metallic, rather than cationic. The increased dispersion and the metallic character of Pt results in strongly enhanced electrocatalytic activity toward methanol oxidation. This study points to a general phenomenon whereby the growth scheme and the substrate-to-surface-Pt distance dictates the chemical state of the surface Pt atoms, and thereby, the performance of Pt-based surface-intensive devices.

An electron of helium atom under a high-intensity laser field

NASA Astrophysics Data System (ADS)

Falaye, Babatunde James; Sun, Guo-Hua; Adepoju, Adenike Grace; Liman, Muhammed S.; Oyewumi, K. J.; Dong, Shi-Hai

2017-02-01

We scrutinize the behavior of eigenvalues of an electron in a helium (He) atom as it interacts with electric field directed along the z-axis and is exposed to linearly polarized intense laser field radiation. To achieve this, we freeze one electron of the He atom at its ionic ground state and the motion of the second electron in the ion core is treated via a more general case of screened Coulomb potential model. Using the Kramers-Henneberger (KH) unitary transformation, which is the semiclassical counterpart of the Block-Nordsieck transformation in the quantized field formalism, the squared vector potential that appears in the equation of motion is eliminated and the resultant equation is expressed in the KH frame. Within this frame, the resulting potential and the corresponding wave function are expanded in Fourier series and using Ehlotzky’s approximation, we obtain a laser-dressed potential to simulate intense laser field. By fitting the more general case of screened Coulomb potential model into the laser-dressed potential, and then expanding it in Taylor series up to O≤ft({{r}4},α 09\\right) , we obtain the solution (eigenvalues and wave function) of an electron in a He atom under the influence of external electric field and high-intensity laser field, within the framework of perturbation theory formalism. We found that the variation in frequency of laser radiation has no effect on the eigenvalues of a He electron for a particular electric field intensity directed along z-axis. Also, for a very strong external electric field and an infinitesimal screening parameter, the system is strongly bound. This work has potential application in the areas of atomic and molecular processes in external fields including interactions with strong fields and short pulses.

Reaction Kinetics of Hydrogen Atom Abstraction from C4-C6 Alkenes by the Hydrogen Atom and Methyl Radical.

PubMed

Wang, Quan-De; Liu, Zi-Wu

2018-06-14

Alkenes are important ingredients of realistic fuels and are also critical intermediates during the combustion of a series of other fuels including alkanes, cycloalkanes, and biofuels. To provide insights into the combustion behavior of alkenes, detailed quantum chemical studies for crucial reactions are desired. Hydrogen abstractions of alkenes play a very important role in determining the reactivity of fuel molecules. This work is motivated by previous experimental and modeling evidence that current literature rate coefficients for the abstraction reactions of alkenes are still in need of refinement and/or redetermination. In light of this, this work reports a theoretical and kinetic study of hydrogen atom abstraction reactions from C4-C6 alkenes by the hydrogen (H) atom and methyl (CH 3 ) radical. A series of C4-C6 alkene molecules with enough structural diversity are taken into consideration. Geometry and vibrational properties are determined at the B3LYP/6-31G(2df,p) level implemented in the Gaussian-4 (G4) composite method. The G4 level of theory is used to calculate the electronic single point energies for all species to determine the energy barriers. Conventional transition state theory with Eckart tunneling corrections is used to determine the high-pressure-limit rate constants for 47 elementary reaction rate coefficients. To faciliate their applications in kinetic modeling, the obtained rate constants are given in the Arrhenius expression and rate coefficients for typical reaction classes are recommended. The overall rate coefficients for the reaction of H atom and CH 3 radical with all the studied alkenes are also compared. Branching ratios of these reaction channels for certain alkenes have also been analyzed.

Efficient multiparticle entanglement via asymmetric Rydberg blockade.

PubMed

Saffman, M; Mølmer, K

2009-06-19

We present an efficient method for producing N particle entangled states using Rydberg blockade interactions. Optical excitation of Rydberg states that interact weakly, yet have a strong coupling to a second control state is used to achieve state dependent qubit rotations in small ensembles. On the basis of quantitative calculations, we predict that an entangled quantum superposition state of eight atoms can be produced with a fidelity of 84% in cold Rb atoms.

Experimental apparatus for overlapping a ground-state cooled ion with ultracold atoms

NASA Astrophysics Data System (ADS)

Meir, Ziv; Sikorsky, Tomas; Ben-shlomi, Ruti; Akerman, Nitzan; Pinkas, Meirav; Dallal, Yehonatan; Ozeri, Roee

2018-03-01

Experimental realizations of charged ions and neutral atoms in overlapping traps are gaining increasing interest due to their wide research application ranging from chemistry at the quantum level to quantum simulations of solid state systems. In this paper, we describe our experimental system in which we overlap a single ground-state cooled ion trapped in a linear Paul trap with a cloud of ultracold atoms such that both constituents are in the ?K regime. Excess micromotion (EMM) currently limits atom-ion interaction energy to the mK energy scale and above. We demonstrate spectroscopy methods and compensation techniques which characterize and reduce the ion's parasitic EMM energy to the ?K regime even for ion crystals of several ions. We further give a substantial review on the non-equilibrium dynamics which governs atom-ion systems. The non-equilibrium dynamics is manifested by a power law distribution of the ion's energy. We also give an overview on the coherent and non-coherent thermometry tools which can be used to characterize the ion's energy distribution after single to many atom-ion collisions.

Effect of gradual ordering of Ge/Sb atoms on chemical bonding: A proposed mechanism for the formation of crystalline Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Singh, Janpreet; Singh, Gurinder; Kaura, Aman; Tripathi, S. K.

2018-04-01

Using first principle calculations, we study the atomic arrangement and bonding mechanism in the crystalline phase of Ge2Sb2Te5 (GST). It is found that the stability of GST depends on the gradual ordering of Ge/Sb atoms. The configurations with different concentration of Ge/Sb in layers have been analyzed by the partial density of state, electron localization function and Bader charge distribution. The s and p-states of Ge atom alter with different stacking configurations but there is no change in Sb and Te atom states. Our findings show that the bonding between Ge-Te is not only responsible for the stability of GST alloy but can also predict which composition can show generic features of phase change material. As the number of Ge atoms near to vacancy layer decreases, Ge donates more charge. A growth model has been proposed for the formation of crystalline phase which justifies the structure models proposed in the literature.

Entanglement Criteria of Two Two-Level Atoms Interacting with Two Coupled Modes

NASA Astrophysics Data System (ADS)

Baghshahi, Hamid Reza; Tavassoly, Mohammad Kazem; Faghihi, Mohammad Javad

2015-08-01

In this paper, we study the interaction between two two-level atoms and two coupled modes of a quantized radiation field in the form of parametric frequency converter injecting within an optical cavity enclosed by a medium with Kerr nonlinearity. It is demonstrated that, by applying the Bogoliubov-Valatin canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes-Cummings model. Then, under particular initial conditions for the atoms (in a coherent superposition of its ground and upper states) and the fields (in a standard coherent state) which may be prepared, the time evolution of state vector of the entire system is analytically evaluated. In order to understand the degree of entanglement between subsystems (atom-field and atom-atom), the dynamics of entanglement through different measures, namely, von Neumann reduced entropy, concurrence and negativity is evaluated. In each case, the effects of Kerr nonlinearity and detuning parameter on the above measures are numerically analyzed, in detail. It is illustrated that the amount of entanglement can be tuned by choosing the evolved parameters, appropriately.

Ultralong-range Rydberg Molecules: Investigation of a Novel Binding Mechanism

NASA Astrophysics Data System (ADS)

Butscher, Björn; Bendkowsky, Vera; Nipper, Johannes; Balewski, Jonathan; Shaffer, James P.; Löw, Robert; Pfau, Tilman

2010-03-01

For highly excited Rydberg atoms, the scattering of the Rydberg electron from a nearby polarizable ground state atom can generate an attractive mean-field potential which is able to bind the ground state atom to the Rydberg atom within the Rydberg electron wave function at binding energies ranging from a few MHz to hundreds of MHz[1]. We present spectroscopic data on the observation of various bound states including the vibrational ground and excited states of rubidium dimers Rb(5S)-Rb(nS) as well as those of trimer states. Furthermore, we show calculations that reproduce the observed binding energies remarkably well and reveal that some of the excited states are purely bound by quantum reflection at a shape resonance for p-wave scattering [2]. To further characterize the coherent excitation of the molecular states, we performed echo experiments. [0pt] [1] V. Bendkowsky, B. Butscher, J. Nipper, J. P. Shaffer, R. Löw, T. Pfau, Nature 458, 1005 (2009); [2] V. Bendkowsky, B. Butscher, J. Nipper, J. Balewski, J. P. Shaffer, R. Löw, T. Pfau, W. Li, J. Stanojevic, T. Pohl,and J. M. Rost, arXiv:0912.4058 (2009)

Helium in chirped laser fields as a time-asymmetric atomic switch

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaprálová-Žďánská, Petra Ruth, E-mail: kapralova@jh-inst.cas.cz; J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 182 23 Prague 8; Moiseyev, Nimrod, E-mail: nimrod@tx.technion.ac.il

2014-07-07

Tuning the laser parameters exceptional points in the spectrum of the dressed laser helium atom are obtained. The weak linearly polarized laser couples the ground state and the doubly excited P-states of helium. We show here that for specific chirped laser pulses that encircle an exceptional point one can get the time-asymmetric phenomenon, where for a negative chirped laser pulse the ground state is transformed into the doubly excited auto-ionization state, while for a positive chirped laser pulse the resonance state is not populated and the neutral helium atoms remains in the ground state as the laser pulse is turnedmore » off. Moreover, we show that the results are very sensitive to the closed contour we choose. This time-asymmetric state exchange phenomenon can be considered as a time-asymmetric atomic switch. The optimal time-asymmetric switch is obtained when the closed loop that encircles the exceptional point is large, while for the smallest loops, the time-asymmetric phenomenon does not take place. A systematic way for studying the effect of the chosen closed contour that encircles the exceptional point on the time-asymmetric phenomenon is proposed.« less

Properties of atomic pairs produced in the collision of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Ziń, Paweł; Wasak, Tomasz

2018-04-01

During a collision of Bose-Einstein condensates correlated pairs of atoms are emitted. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities, demonstration of Einstein-Podolsky-Rosen correlations, or sub-shot-noise atomic interferometry. Usually, a theoretical description of the collision relies either on stochastic numerical methods or on analytical treatments involving various approximations. Here, we investigate elastic scattering of atoms from colliding elongated Bose-Einstein condensates within the Bogoliubov method, carefully controlling performed approximations at every stage of the analysis. We derive expressions for the one- and two-particle correlation functions. The obtained formulas, which relate the correlation functions to the condensate wave function, are convenient for numerical calculations. We employ the variational approach for condensate wave functions to obtain analytical expressions for the correlation functions, whose properties we analyze in detail. We also present a useful semiclassical model of the process and compare its results with the quantum one. The results are relevant for recent experiments with excited helium atoms, as well as for planned experiments aimed at investigating the nonclassicality of the system.

Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling.

PubMed

Kosicki, Maciej Bartosz; Kędziera, Dariusz; Żuchowski, Piotr Szymon

2017-06-01

We investigate the energetics of the atom exchange reaction in the SrF + alkali-metal atom and CaF + alkali-metal atom systems. Such reactions are possible only for collisions of SrF and CaF with the lithium atoms, while they are energetically forbidden for other alkali-metal atoms. Specifically, we focus on SrF interacting with Li, Rb, and Sr atoms and use ab initio methods to demonstrate that the SrF + Li and SrF + Sr reactions are barrierless. We present potential energy surfaces for the interaction of the SrF molecule with the Li, Rb, and Sr atoms in their energetically lowest-lying electronic spin states. The obtained potential energy surfaces are deep and exhibit profound interaction anisotropies. We predict that the collisions of SrF molecules in the rotational or Zeeman excited states most likely have a strong inelastic character. We discuss the prospects for the sympathetic cooling of SrF and CaF molecules using ultracold alkali-metal atoms.

The interaction of excited atoms and few-cycle laser pulses

PubMed Central

Calvert, J. E.; Xu, Han; Palmer, A. J.; Glover, R. D.; Laban, D. E.; Tong, X. M.; Kheifets, A. S.; Bartschat, K.; Litvinyuk, I. V.; Kielpinski, D.; Sang, R. T.

2016-01-01

This work describes the first observations of the ionisation of neon in a metastable atomic state utilising a strong-field, few-cycle light pulse. We compare the observations to theoretical predictions based on the Ammosov-Delone-Krainov (ADK) theory and a solution to the time-dependent Schrödinger equation (TDSE). The TDSE provides better agreement with the experimental data than the ADK theory. We optically pump the target atomic species and measure the ionisation rate as the a function of different steady-state populations in the fine structure of the target state which shows significant ionisation rate dependence on populations of spin-polarised states. The physical mechanism for this effect is unknown. PMID:27666403

Topological bound states of a quantum walk with cold atoms

NASA Astrophysics Data System (ADS)

Mugel, Samuel; Celi, Alessio; Massignan, Pietro; Asbóth, János K.; Lewenstein, Maciej; Lobo, Carlos

2016-08-01

We suggest a method for engineering a quantum walk, with cold atoms as walkers, which presents topologically nontrivial properties. We derive the phase diagram, and show that we are able to produce a boundary between topologically distinct phases using the finite beam width of the applied lasers. A topologically protected bound state can then be observed, which is pinned to the interface and is robust to perturbations. We show that it is possible to identify this bound state by averaging over spin sensitive measures of the atom's position, based on the spin distribution that these states display. Interestingly, there exists a parameter regime in which our system maps on to the Creutz ladder.

The interaction of excited atoms and few-cycle laser pulses.

PubMed

Calvert, J E; Xu, Han; Palmer, A J; Glover, R D; Laban, D E; Tong, X M; Kheifets, A S; Bartschat, K; Litvinyuk, I V; Kielpinski, D; Sang, R T

2016-09-26

This work describes the first observations of the ionisation of neon in a metastable atomic state utilising a strong-field, few-cycle light pulse. We compare the observations to theoretical predictions based on the Ammosov-Delone-Krainov (ADK) theory and a solution to the time-dependent Schrödinger equation (TDSE). The TDSE provides better agreement with the experimental data than the ADK theory. We optically pump the target atomic species and measure the ionisation rate as the a function of different steady-state populations in the fine structure of the target state which shows significant ionisation rate dependence on populations of spin-polarised states. The physical mechanism for this effect is unknown.

Driving many distant atoms into high-fidelity steady state entanglement via Lyapunov control.

PubMed

Li, Chuang; Song, Jie; Xia, Yan; Ding, Weiqiang

2018-01-22

Based on Lyapunov control theory in closed and open systems, we propose a scheme to generate W state of many distant atoms in the cavity-fiber-cavity system. In the closed system, the W state is generated successfully even when the coupling strength between the cavity and fiber is extremely weak. In the presence of atomic spontaneous emission or cavity and fiber decay, the photon-measurement and quantum feedback approaches are proposed to improve the fidelity, which enable efficient generation of high-fidelity W state in the case of large dissipation. Furthermore, the time-optimal Lyapunov control is investigated to shorten the evolution time and improve the fidelity in open systems.

Microcavities coupled to multilevel atoms

NASA Astrophysics Data System (ADS)

Schmid, Sandra Isabelle; Evers, Jörg

2011-11-01

A three-level atom in the Λ configuration coupled to a microcavity is studied. The two transitions of the atom are assumed to couple to different counterpropagating mode pairs in the cavity. We analyze the dynamics both in the strong-coupling and the bad-cavity limits. We find that, compared to a two-level setup, the third atomic state and the additional control field modes crucially modify the system dynamics and enable more advanced control schemes. All results are explained using appropriate dressed-state and eigenmode representations. As potential applications, we discuss optical switching and turnstile operations and detection of particles close to the resonator surface.

Dynamical Casimir-Polder force on a partially dressed atom near a conducting wall

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messina, Riccardo; Vasile, Ruggero; Passante, Roberto

2010-12-15

We study the time evolution of the Casimir-Polder force acting on a neutral atom in front of a perfectly conducting plate, when the system starts its unitary evolution from a partially dressed state. We solve the Heisenberg equations for both atomic and field quantum operators, exploiting a series expansion with respect to the electric charge and an iterative technique. After discussing the behavior of the time-dependent force on an initially partially dressed atom, we analyze a possible experimental scheme to prepare the partially dressed state and the observability of this new dynamical effect.

Projectile n distributions following charge transfer of Ar+ and Na+ in a Na Rydberg target

NASA Astrophysics Data System (ADS)

MacAdam, K. B.; Gray, L. G.; Rolfes, R. G.

1990-11-01

The n distributions produced by charge transfer of Ar+ and Na+ ions in a target of Na(nl) Rydberg atoms were extensively measured at intermediate velocities. The 60-2100-eV ions bombarded a laser-excited atomic-beam target. The projectiles were neutralized by capture into Rydberg states of Ar and Na and were analyzed by field ionization in an inhomogeneous-field detector whose response over states and energies was carefully mapped. The choice of initially prepared Na states, 24d, 25s, 28d, 29s, 33d, and 34s, allowed a comparison of l=0 and >=2 targets at nearly equal binding energies over a range of reduced velocity v~=0.187 to 1.95. Capture populates m sublevels broadly, not merely m~=0. Overlapping contributions from adiabatic and diabatic modes of field ionization were accommodated in the analysis, which used a maximum-entropy-principle parametric form to fit the observed final-state distributions. The peak of the distributions, nmax, shifts upward from a value less than the initial state ni to a value one to three units higher than ni at v~ between 0.7 and 0.9 and ultimately shifts downward below ni as v~ is further increased. The distributions become significantly sharper where the maximum upward shift occurs. Two ratios were defined to express the widths of final-state distributions in relative terms, one measuring the spread of orbital kinetic energy and the other the spread of Bohr-orbit velocity. By these ratios a universal behavior over energies, states, and projectile species is observed, and small differences between l=0 and >=2 targets may be seen. A theoretical understanding of the present results, which span velocities where both molecular and perturbative theories are normally used, will require a quantal formulation that models the free-ranging response that is a hallmark of the high-quantum-number limit.

Absolute rate expressions for hydrogen atom abstraction from molybdenum hydrides by carbon-centered radicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franz, J.A.; Linehan, J.C.; Birnbaum, J.C.

1999-10-27

A new family of basis rate expressions for hydrogen atom abstraction by primary, secondary, and tertiary alkyl radicals in dodecane and benzyl radical in benzene from the molybdenum hydride Cp*Mo-(CO){sub 3}H and for reactions of a primary alkyl radical with CpMo(CO){sub 3}H in dodecane are reported (Cp* = {eta}{sup 5}-pentamethylcyclopentadienyl, Cp = {eta}{sup 5}-cyclopentadienyl). Rate expressions for reaction of primary, secondary, and tertiary radical clocks with Cp*Mo(CO){sub 3}H were as follows: for hex-5-enyl, log(k/M{sup {minus}1} s{sup {minus}1}) = (9.27 {+-} 0.13) {minus} (1.36 {+-} 0.22)/{theta}, {theta} = 2.303RT kcal/mol; for hept-6-en-2-yl, log(k/M{sup {minus}1} s{sup {minus}1}) = (9.12 {+-} 0.42) {minus}more » (1.91 {+-} 0.74)/{theta}; and for 2-methylhept-6-en-2-yl, log(k/M{sup {minus}1} s{sup {minus}1}) = (9.36 {+-} 0.18) {minus} (3.19 {+-} 0.30)/{theta} (errors are 2{sigma}). Hydrogen atom abstraction from CpMo(CO){sub 3}H by hex-5-enyl is described by log(k/M{sup {minus}1} s{sup {minus}1}) = (9.53 {+-} 0.34) {minus} (1.24 {+-} 0.62)/{theta}. Relative rate constants for 1{degree}:2{degree}:3{degree} alkyl radicals were found to be 26:7:1 at 298 K. Benzyl radical was found to react 1.4 times faster than tertiary alkyl radical. The much higher selectivities for CP*Mo(CO){sub 3}H than those observed for main group hydrides (Bu{sub 3}SnH, PhSeH, PhSH) with alkyl radicals, together with the very fast benzyl hydrogen-transfer rate, suggest the relative unimportance of simple enthalpic effects and the dominance of steric effects for the early transition-state hydrogen transfers. Hydrogen abstraction from Cp*Mo(CO){sub 3}H by benzyl radicals is described by log(k/M{sup {minus}1} s{sup {minus}1}) = (8.89 {+-} 0.22) {minus} (2.31 {+-} 0.33)/{theta}.« less

State-dependent fluorescence of neutral atoms in optical potentials

NASA Astrophysics Data System (ADS)

Martinez-Dorantes, M.; Alt, W.; Gallego, J.; Ghosh, S.; Ratschbacher, L.; Meschede, D.

2018-02-01

Recently we have demonstrated scalable, nondestructive, and high-fidelity detection of the internal state of 87Rb neutral atoms in optical dipole traps using state-dependent fluorescence imaging [M. Martinez-Dorantes, W. Alt, J. Gallego, S. Ghosh, L. Ratschbacher, Y. Völzke, and D. Meschede, Phys. Rev. Lett. 119, 180503 (2017), 10.1103/PhysRevLett.119.180503]. In this paper we provide experimental procedures and interpretations to overcome the detrimental effects of heating-induced trap losses and state leakage. We present models for the dynamics of optically trapped atoms during state-dependent fluorescence imaging and verify our results by comparing Monte Carlo simulations with experimental data. Our systematic study of dipole force fluctuations heating in optical traps during near-resonant illumination shows that off-resonant light is preferable for state detection in tightly confining optical potentials.

First-principles study of Au-decorated carbon nanotubes

NASA Astrophysics Data System (ADS)

Ju, Weiwei; Li, Tongwei; Zhou, Qingxiao; Li, Haisheng; Li, Xiaohong

2018-07-01

The electronic structures and spin-orbit (SO) coupling of carbon nanotubes with adsorbed Au atoms are investigated based on density functional theory. Three kinds of zigzag single-walled CNT (8,0), (10,0) and (12,0) are selected. The Au atoms prefer to adsorb on the top of C atoms. The adsorption of Au atoms can introduce impurity states in the band gap, modifying the electronic properties of systems. Furthermore, the influence of SO coupling on these impurity states is also explored. Considerable SO splitting (∼130 meV) can be obtained. We find that the SO splitting decreases with the increase of the concentration of Au atoms, which can be ascribed to the interaction between Au atoms, suppressing the SO splitting. Our work provides imperative understanding on the electronic properties and SO coupling effect in Au-decorated CNTs.

Observation of ground-state quantum beats in atomic spontaneous emission.

PubMed

Norris, D G; Orozco, L A; Barberis-Blostein, P; Carmichael, H J

2010-09-17

We report ground-state quantum beats in spontaneous emission from a continuously driven atomic ensemble. Beats are visible only in an intensity autocorrelation and evidence spontaneously generated coherence in radiative decay. Our measurement realizes a quantum eraser where a first photon detection prepares a superposition and a second erases the "which path" information in the intermediate state.

Entanglement dynamics in a Kerr spacetime

NASA Astrophysics Data System (ADS)

Menezes, G.

2018-04-01

We consider the entanglement dynamics between two-level atoms in a rotating black hole background. In our model the two-atom system is envisaged as an open system coupled with a massless scalar field prepared in one of the physical vacuum states of interest. We employ the quantum master equation in the Born-Markov approximation in order to describe the time evolution of the atomic subsystem. We investigate two different states of motion for the atoms, namely static atoms and also stationary atoms with zero angular momentum. The purpose of this work is to expound the impact on the creation of entanglement coming from the combined action of the different physical processes underlying the Hawking effect and the Unruh-Starobinskii effect. We demonstrate that, in the scenario of rotating black holes, the degree of quantum entanglement is significantly modified due to the phenomenon of superradiance in comparison with the analogous cases in a Schwarzschild spacetime. In the perspective of a zero angular momentum observer (ZAMO), one is allowed to probe entanglement dynamics inside the ergosphere, since static observers cannot exist within such a region. On the other hand, the presence of superradiant modes could be a source for violation of complete positivity. This is verified when the quantum field is prepared in the Frolov-Thorne vacuum state. In this exceptional situation, we raise the possibility that the loss of complete positivity is due to the breakdown of the Markovian approximation, which means that any arbitrary physically admissible initial state of the two atoms would not be capable to hold, with time evolution, its interpretation as a physical state inasmuch as negative probabilities are generated by the dynamical map.

Two photon excitation of atomic oxygen

NASA Technical Reports Server (NTRS)

Pindzola, M. S.

1977-01-01

A standard perturbation expansion in the atom-radiation field interaction is used to calculate the two photon excitation cross section for 1s(2) 2s(2) 2p(4) p3 to 1s(2) 2s(2) 2p(3) (s4) 3p p3 transition in atomic oxygen. The summation over bound and continuum intermediate states is handled by solving the equivalent inhomogeneous differential equation. Exact summation results differ by a factor of 2 from a rough estimate obtained by limiting the intermediate state summation to one bound state. Higher order electron correlation effects are also examined.

Quantum phases of a three-level matter-radiation interaction model using SU(3) coherent states with different cooperation numbers

NASA Astrophysics Data System (ADS)

Quezada, L. F.; Nahmad-Achar, E.

2018-06-01

We use coherent states as trial states for a variational approach to study a system of a finite number of three-level atoms interacting in a dipolar approximation with a one-mode electromagnetic field. The atoms are treated as semidistinguishable using different cooperation numbers and representations of SU(3). We focus our analysis on the quantum phases of the system as well as the behavior of the most relevant observables near the phase transitions. The results are computed for all three possible configurations (Ξ , Λ , and V ) of the three-level atoms.

Intensity-modulated polarizabilities and magic trapping of alkali-metal and divalent atoms in infrared optical lattices

NASA Astrophysics Data System (ADS)

Topcu, Turker; Derevianko, Andrei

2014-05-01

Long range interactions between neutral Rydberg atoms has emerged as a potential means for implementing quantum logical gates. These experiments utilize hyperfine manifold of ground state atoms to act as a qubit basis, while exploiting the Rydberg blockade mechanism to mediate conditional quantum logic. The necessity for overcoming several sources of decoherence makes magic wavelength trapping in optical lattices an indispensable tool for gate experiments. The common wisdom is that atoms in Rydberg states see trapping potentials that are essentially that of a free electron, and can only be trapped at laser intensity minima. We show that although the polarizability of a Rydberg state is always negative, the optical potential can be both attractive or repulsive at long wavelengths (up to ~104 nm). This opens up the possibility of magic trapping Rydberg states with ground state atoms in optical lattices, thereby eliminating the necessity to turn off trapping fields during gate operations. Because the wavelengths are near the CO2 laser band, the photon scattering and the ensuing motional heating is also reduced compared to conventional traps near low lying resonances, alleviating an important source of decoherence. This work was supported by the National Science Foundation (NSF) Grant No. PHY-1212482.

Atomic solid state energy scale: Universality and periodic trends in oxidation state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pelatt, Brian D.; Kokenyesi, Robert S.; Ravichandran, Ram

2015-11-15

The atomic solid state energy (SSE) scale originates from a plot of the electron affinity (EA) and ionization potential (IP) versus band gap (E{sub G}). SSE is estimated for a given atom by assessing an average EA (for a cation) or an average IP (for an anion) for binary inorganic compounds having that specific atom as a constituent. Physically, SSE is an experimentally-derived average frontier orbital energy referenced to the vacuum level. In its original formulation, 69 binary closed-shell inorganic semiconductors and insulators were employed as a database, providing SSE estimates for 40 elements. In this contribution, EA and IPmore » versus E{sub G} are plotted for an additional 92 compounds, thus yielding SSE estimates for a total of 64 elements from the s-, p-, d-, and f-blocks of the periodic table. Additionally, SSE is refined to account for its dependence on oxidation state. Although most cations within the SSE database are found to occur in a single oxidation state, data are available for nine d-block transition metals and one p-block main group metal in more than one oxidation state. SSE is deeper in energy for a higher cation oxidation state. Two p-block main group non-metals within the SSE database are found to exist in both positive and negative oxidation states so that they can function as a cation or anion. SSEs for most cations are positioned above −4.5 eV with respect to the vacuum level, and SSEs for all anions are positioned below. Hence, the energy −4.5 eV, equal to the hydrogen donor/acceptor ionization energy ε(+/−) or equivalently the standard hydrogen electrode energy, is considered to be an absolute energy reference for chemical bonding in the solid state. - Highlights: • Atomic solid-state energies are estimated for 64 elements from experimental data. • The relationship between atomic SSEs and oxidation state is assessed. • Cations are positioned above and absolute energy of −4.5 eV and anions below.« less

V. S. Lebedev and I. L. Beigman, Physics of Highly Excited Atoms and Ions

NASA Astrophysics Data System (ADS)

Mewe, R.

1999-07-01

This book contains a comprehensive description of the basic principles of the theoretical spectroscopy and experimental spectroscopic diagnostics of Rydberg atoms and ions, i.e., atoms in highly excited states with a very large principal quantum number (n≫1). Rydberg atoms are characterized by a number of peculiar physical properties as compared to atoms in the ground or a low excited state. They have a very small ionization potential (∝1/n2), the highly excited electron has a small orbital velocity (∝1/n), the radius (∝n2) is very large, the excited electron has a long orbital period (∝n3), and the radiation lifetime is very long (∝n3-5). At the same time the R. atom is very sensitive to perturbations from external fields in collisions with charged and neutral targets. In recent years, R. atoms have been observed in laboratory and cosmic conditions for n up to ˜1000, which means that the size amounts to about 0.1 mm, ˜106 times that of an atom in the ground state. The scope of this monograph is to familiarize the reader with today's approaches and methods for describing isolated R. atoms and ions, radiative transitions between highly excited states, and photoionization and photorecombination processes. The authors present a number of efficient methods for describing the structure and properties of R. atoms and calculating processes of collisions with neutral and charged particles as well as spectral-line broadening and shift of Rydberg atomic series in gases, cool and hot plasmas in laboratories and in astrophysical sources. Particular attention is paid to a comparison of theoretical results with available experimental data. The book contains 9 chapters. Chapter 1 gives an introduction to the basic properties of R. atoms (ions), Chapter 2 is devoted to an account of general methods describing an isolated Rydberg atom. Chapter 3 is focussed on the recent achievements in calculations of form factors and dipole matrix elements of different types of bound-bound and bound-free radiative transitions. Chapter 4 concentrates on the formulation of basic theoretical methods and physical approaches to collisions involving R. atoms. Chapters 5 to 8 contain a systematic description of major directions and modern techniques in the collision theory of R. atoms and ions with atoms, molecules, electrons, and ions. Finally, Chapter 9 deals with the spectral-line broadening and shift of R. atomic series induced by collisions with neutral and charged particles. A subject index of four pages and 250 references are given. This monograph will be a basic tool and reference for all scientists working in the fields of plasma physics, spectroscopy, physics of electronic and atomic collisions, as well as astrophysics, radio astronomy, and space physics.

High-precision two-dimensional atom localization from four-wave mixing in a double-Λ four-level atomic system

NASA Astrophysics Data System (ADS)

Shui, Tao; Yang, Wen-Xing; Chen, Ai-Xi; Liu, Shaopeng; Li, Ling; Zhu, Zhonghu

2018-03-01

We propose a scheme for high-precision two-dimensional (2D) atom localization via the four-wave mixing (FWM) in a four-level double-Λ atomic system. Due to the position-dependent atom-field interaction, the 2D position information of the atoms can be directly determined by the measurement of the normalized light intensity of output FWM-generated field. We further show that, when the position-dependent generated FWM field has become sufficiently intense, efficient back-coupling to the FWM generating state becomes important. This back-coupling pathway leads to competitive multiphoton destructive interference of the FWM generating state by three supplied and one internally generated fields. We find that the precision of 2D atom localization can be improved significantly by the multiphoton destructive interference and depends sensitively on the frequency detunings and the pump field intensity. Interestingly enough, we show that adjusting the frequency detunings and the pump field intensity can modify significantly the FWM efficiency, and consequently lead to a redistribution of the atoms. As a result, the atom can be localized in one of four quadrants with holding the precision of atom localization.

The 1,5-H-shift in 1-butoxy: A case study in the rigorous implementation of transition state theory for a multirotamer system

NASA Astrophysics Data System (ADS)

Vereecken, Luc; Peeters, Jozef

2003-09-01

The rigorous implementation of transition state theory (TST) for a reaction system with multiple reactant rotamers and multiple transition state conformers is discussed by way of a statistical rate analysis of the 1,5-H-shift in 1-butoxy radicals, a prototype reaction for the important class of H-shift reactions in atmospheric chemistry. Several approaches for deriving a multirotamer TST expression are treated: oscillator versus (hindered) internal rotor models; distinguishable versus indistinguishable atoms; and direct count methods versus degeneracy factors calculated by (simplified) direct count methods or from symmetry numbers and number of enantiomers, where applicable. It is shown that the various treatments are fully consistent, even if the TST expressions themselves appear different. The 1-butoxy H-shift reaction is characterized quantum chemically using B3LYP-DFT; the performance of this level of theory is compared to other methods. Rigorous application of the multirotamer TST methodology in an harmonic oscillator approximation based on this data yields a rate coefficient of k(298 K,1 atm)=1.4×105 s-1, and an Arrhenius expression k(T,1 atm)=1.43×1011 exp(-8.17 kcal mol-1/RT) s-1, which both closely match the experimental recommendations in the literature. The T-dependence is substantially influenced by the multirotamer treatment, as well as by the tunneling and fall-off corrections. The present results are compared to those of simplified TST calculations based solely on the properties of the lowest energy 1-butoxy rotamer.

Graduate Student Support for Quantum Computing With Superconducting Charge States

DTIC Science & Technology

2005-08-31

cavity resonance frequency ωr, the atomic transition frequency Ω, and the strength of the atom- photon coupling g appearing in the Jaynes - Cummings ...the atom through the cavity. In the absence of damping, exact diagonalization of the Jaynes - Cumming Hamiltonian yields the excited eigen- states...cillating terms and omitting damping for the moment, 5 Eq. (16) reduces to the Jaynes - Cummings Hamiltonian (1) with Ω = EJ/~ and the vacuum Rabi frequency

Uranium isotopes quantitatively determined by modified method of atomic absorption spectrophotometry

NASA Technical Reports Server (NTRS)

Lee, G. H.

1967-01-01

Hollow-cathode discharge tubes determine the quantities of uranium isotopes in a sample by using atomic absorption spectrophotometry. Dissociation of the uranium atoms allows a large number of ground state atoms to be produced, absorbing the incident radiation that is different for the two major isotopes.

New Scenario of Dynamical Heterogeneity in Supercooled Liquid and Glassy States of 2D Monatomic System.

PubMed

Van Hoang, Vo; Teboul, Victor; Odagaki, Takashi

2015-12-24

Via analysis of spatiotemporal arrangements of atoms based on their dynamics in supercooled liquid and glassy states of a 2D monatomic system with a double-well Lennard-Jones-Gauss (LJG) interaction potential, we find a new scenario of dynamical heterogeneity. Atoms with the same or very close mobility have a tendency to aggregate into clusters. The number of atoms with high mobility (and size of their clusters) increases with decreasing temperature passing over a maximum before decreasing down to zero. Position of the peak moves toward a lower temperature if mobility of atoms in clusters is lower together with an enhancement of height of the peak. In contrast, the number of atoms with very low mobility or solidlike atoms (and size of their clusters) has a tendency to increase with decreasing temperature and then it suddenly increases in the vicinity of the glass transition temperature leading to the formation of a glassy state. A sudden increase in the number of strongly correlated solidlike atoms in the vicinity of a glass transition temperature (Tg) may be an origin of a drastical increase in viscosity of the glass-forming systems approaching the glass transition. In fact, we find that the diffusion coefficient decays exponentially with a fraction of solidlike atoms exhibiting a sudden decrease in the vicinity of the glass transition region.

Entanglement detection in optical lattices of bosonic atoms with collective measurements

NASA Astrophysics Data System (ADS)

Tóth, Géza

2004-05-01

The minimum requirements for entanglement detection are discussed for a spin chain in which the spins cannot be individually accessed. The methods presented detect entangled states close to a cluster state and a many-body singlet state, and seem to be viable for experimental realization in optical lattices of two-state bosonic atoms. The entanglement criteria are based on entanglement witnesses and on the uncertainty of collective observables.

Experimental generation of tripartite polarization entangled states of bright optical beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Liang; Liu, Yanhong; Deng, Ruijie

The multipartite polarization entangled states of bright optical beams directly associating with the spin states of atomic ensembles are one of the essential resources in the future quantum information networks, which can be conveniently utilized to transfer and convert quantum states across a network composed of many atomic nodes. In this letter, we present the experimental demonstration of tripartite polarization entanglement described by Stokes operators of optical field. The tripartite entangled states of light at the frequency resonant with D1 line of Rubidium atoms are transformed into the continuous variable polarization entanglement among three bright optical beams via an opticalmore » beam splitter network. The obtained entanglement is confirmed by the extended criterion for polarization entanglement of multipartite quantized optical modes.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahms, Rainer N.

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahms, Rainer N., E-mail: Rndahms@sandia.gov

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE PAGES

Dahms, Rainer N.

2016-04-26

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Generation of long-living entanglement between two distant three-level atoms in non-Markovian environments.

PubMed

Li, Chuang; Yang, Sen; Song, Jie; Xia, Yan; Ding, Weiqiang

2017-05-15

In this paper, a scheme for the generation of long-living entanglement between two distant Λ-type three-level atoms separately trapped in two dissipative cavities is proposed. In this scheme, two dissipative cavities are coupled to their own non-Markovian environments and two three-level atoms are driven by the classical fields. The entangled state between the two atoms is produced by performing Bell state measurement (BSM) on photons leaving the dissipative cavities. Using the time-dependent Schördinger equation, we obtain the analytical results for the evolution of the entanglement. It is revealed that, by manipulating the detunings of classical field, the long-living stationary entanglement between two atoms can be generated in the presence of dissipation.

An ultracold potassium Rydberg source for experiments in quantum optics and many-body physics

NASA Astrophysics Data System (ADS)

Conover, Charles; Dupre, Pamela; Tong, Ai Phuong; Sanon, Carlvin; Clarke, Kevin; Doolittle, Brian; Louria, Stephen; Adamson, Philip

2017-04-01

We report on the development of an apparatus for the study of quantum dynamics of Rydberg atoms of potassium. Samples of Rydberg atoms at 1 mK and varying density are excited in a magneto-optical trap of 107 K-39 atoms. The atoms are excited to Rydberg states in a steps from 4s to 5p and from 5p to ns and nd states using stabilized external-cavity diode lasers at 405 nm and 980 nm. Selective field ionization and detection with microchannel plates provides a platform for spectroscopic measurements in potassium, exploration of multiphoton processes, and experiments on cold atom collisions. This research was supported by the National Science Foundation under Grant PHY-1126599.

Microwave-induced three-photon coherence of Rydberg atomic states

NASA Astrophysics Data System (ADS)

Kwak, Hyo Min; Jeong, Taek; Lee, Yoon-Seok; Moon, Han Seb

2016-12-01

We investigate the three-photon coherence (TPC) effects of the Rydberg state in a Doppler-broadened four-level ladder-type atomic system for the 5S1/2(F=3)-5P3/2(F‧=4)-50D5/2-51P3/2 transition of 85Rb atoms. Upon interaction of the Rydberg Rb atom of the ladder-type electromagnetically induced transparency (EIT) scheme with a resonant microwave (MW) field, we numerically analyze the spectral features of the Rydberg TPC from two viewpoints, Autler-Townes splitting (AT-splitting) of the Rydberg EIT and three-photon electromagnetically induced absorption (TPEIA). We determine the criterion to differentiate between AT-splitting of the Rydberg EIT and TPEIA in the Doppler-broadened ladder-type atomic system.

Entanglement evaluation with atomic Fisher information

NASA Astrophysics Data System (ADS)

Obada, A.-S. F.; Abdel-Khalek, S.

2010-02-01

In this paper, the concept of atomic Fisher information (AFI) is introduced. The marginal distributions of the AFI are defined. This quantity is used as a parameter of entanglement and compared with linear and atomic Wehrl entropies of the two-level atom. The evolution of the atomic Fisher information and atomic Wehrl entropy for only the pure state (or dissipation-free) of the Jaynes-Cummings model is analyzed. We demonstrate the connections between these measures.

Entangling atomic spins with a Rydberg-dressed spin-flip blockade

DOE PAGES

Jau, Y. -Y.; Hankin, A. M.; Keating, T.; ...

2015-10-05

Controlling the quantum entanglement between parts of a many-body system is key to unlocking the power of quantum technologies such as quantum computation, high-precision sensing, and the simulation of many-body physics. The spin degrees of freedom of ultracold neutral atoms in their ground electronic state provide a natural platform for such applications thanks to their long coherence times and the ability to control them with magneto-optical fields. However, the creation of strong coherent coupling between spins has been challenging. In this paper, we demonstrate a strong and tunable Rydberg-dressed interaction between spins of individually trapped caesium atoms with energy shiftsmore » of order 1 MHz in units of Planck’s constant. This interaction leads to a ground-state spin-flip blockade, whereby simultaneous hyperfine spin flips of two atoms are inhibited owing to their mutual interaction. Finally, we employ this spin-flip blockade to rapidly produce single-step Bell-state entanglement between two atoms with a fidelity ≥81(2)%.« less

Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy.

PubMed

Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Ding, Lei; Yuan, Tao Li

2016-08-17

The structure and bonding nature of neutral and negatively charged BxAlyH2 (x + y = 7, 8, 9) clusters are investigated with the aid of previously published experimental photoelectron spectra combined with the present density functional theory calculations. The comparison between the experimental photoelectron spectra and theoretical simulated spectra helps to identify the ground state structures. The accuracy of the obtained ground state structures is further verified by calculating their adiabatic electron affinities and vertical detachment energies and comparing them against available experimental data. The results show that the structures of BxAlyH2 transform from three-dimensional to planar structures as the number of boron atoms increases. Moreover, boron atoms tend to bind together forming Bn units. The hydrogen atoms prefer to bind with boron atoms rather than aluminum atoms. The analyses of the molecular orbital on the ground state structures further support the abovementioned results.

Quantum test of the equivalence principle for atoms in coherent superposition of internal energy states

PubMed Central

Rosi, G.; D'Amico, G.; Cacciapuoti, L.; Sorrentino, F.; Prevedelli, M.; Zych, M.; Brukner, Č.; Tino, G. M.

2017-01-01

The Einstein equivalence principle (EEP) has a central role in the understanding of gravity and space–time. In its weak form, or weak equivalence principle (WEP), it directly implies equivalence between inertial and gravitational mass. Verifying this principle in a regime where the relevant properties of the test body must be described by quantum theory has profound implications. Here we report on a novel WEP test for atoms: a Bragg atom interferometer in a gravity gradiometer configuration compares the free fall of rubidium atoms prepared in two hyperfine states and in their coherent superposition. The use of the superposition state allows testing genuine quantum aspects of EEP with no classical analogue, which have remained completely unexplored so far. In addition, we measure the Eötvös ratio of atoms in two hyperfine levels with relative uncertainty in the low 10−9, improving previous results by almost two orders of magnitude. PMID:28569742

Ground Levels and Ionization Energies for the Neutral Atoms

National Institute of Standards and Technology Data Gateway

SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotopemore » effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near room temperature. This expression also holds when a broad protein conformational distribution of D-A equilibrium distances dominates the spread of the D-A vibrational wavefunction.« less

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment.

PubMed

Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near room temperature. This expression also holds when a broad protein conformational distribution of D-A equilibrium distances dominates the spread of the D-A vibrational wavefunction.

Combinatorial effects on clumped isotopes and their significance in biogeochemistry

NASA Astrophysics Data System (ADS)

Yeung, Laurence Y.

2016-01-01

The arrangement of isotopes within a collection of molecules records their physical and chemical histories. Clumped-isotope analysis interrogates these arrangements, i.e., how often rare isotopes are bound together, which in many cases can be explained by equilibrium and/or kinetic isotope fractionation. However, purely combinatorial effects, rooted in the statistics of pairing atoms in a closed system, are also relevant, and not well understood. Here, I show that combinatorial isotope effects are most important when two identical atoms are neighbors on the same molecule (e.g., O2, N2, and D-D clumping in CH4). When the two halves of an atom pair are either assembled with different isotopic preferences or drawn from different reservoirs, combinatorial effects cause depletions in clumped-isotope abundance that are most likely between zero and -1‰, although they could potentially be -10‰ or larger for D-D pairs. These depletions are of similar magnitude, but of opposite sign, to low-temperature equilibrium clumped-isotope effects for many small molecules. Enzymatic isotope-pairing reactions, which can have site-specific isotopic fractionation factors and atom reservoirs, should express this class of combinatorial isotope effect, although it is not limited to biological reactions. Chemical-kinetic isotope effects, which are related to a bond-forming transition state, arise independently and express second-order combinatorial effects related to the abundance of the rare isotope. Heteronuclear moeties (e.g., Csbnd O and Csbnd H), are insensitive to direct combinatorial influences, but secondary combinatorial influences are evident. In general, both combinatorial and chemical-kinetic factors are important for calculating and interpreting clumped-isotope signatures of kinetically controlled reactions. I apply this analytical framework to isotope-pairing reactions relevant to geochemical oxygen, carbon, and nitrogen cycling that may be influenced by combinatorial clumped-isotope effects. These isotopic signatures, manifest as either directly bound isotope ;clumps; or as features of a molecule's isotopic anatomy, are linked to molecular mechanisms and may eventually provide additional information about biogeochemical cycling on environmentally relevant spatial scales.

Interaction-Free Effects Between Distant Atoms

NASA Astrophysics Data System (ADS)

Aharonov, Yakir; Cohen, Eliahu; Elitzur, Avshalom C.; Smolin, Lee

2018-01-01

A Gedanken experiment is presented where an excited and a ground-state atom are positioned such that, within the former's half-life time, they exchange a photon with 50% probability. A measurement of their energy state will therefore indicate in 50% of the cases that no photon was exchanged. Yet other measurements would reveal that, by the mere possibility of exchange, the two atoms have become entangled. Consequently, the "no exchange" result, apparently precluding entanglement, is non-locally established between the atoms by this very entanglement. This quantum-mechanical version of the ancient Liar Paradox can be realized with already existing transmission schemes, with the addition of Bell's theorem applied to the no-exchange cases. Under appropriate probabilities, the initially-excited atom, still excited, can be entangled with additional atoms time and again, or alternatively, exert multipartite nonlocal correlations in an interaction free manner. When densely repeated several times, this result also gives rise to the Quantum Zeno effect, again exerted between distant atoms without photon exchange. We discuss these experiments as variants of interaction-free-measurement, now generalized for both spatial and temporal uncertainties. We next employ weak measurements for elucidating the paradox. Interpretational issues are discussed in the conclusion, and a resolution is offered within the Two-State Vector Formalism and its new Heisenberg framework.

Interaction-Free Effects Between Distant Atoms

NASA Astrophysics Data System (ADS)

Aharonov, Yakir; Cohen, Eliahu; Elitzur, Avshalom C.; Smolin, Lee

2017-12-01

A Gedanken experiment is presented where an excited and a ground-state atom are positioned such that, within the former's half-life time, they exchange a photon with 50% probability. A measurement of their energy state will therefore indicate in 50% of the cases that no photon was exchanged. Yet other measurements would reveal that, by the mere possibility of exchange, the two atoms have become entangled. Consequently, the "no exchange" result, apparently precluding entanglement, is non-locally established between the atoms by this very entanglement. This quantum-mechanical version of the ancient Liar Paradox can be realized with already existing transmission schemes, with the addition of Bell's theorem applied to the no-exchange cases. Under appropriate probabilities, the initially-excited atom, still excited, can be entangled with additional atoms time and again, or alternatively, exert multipartite nonlocal correlations in an interaction free manner. When densely repeated several times, this result also gives rise to the Quantum Zeno effect, again exerted between distant atoms without photon exchange. We discuss these experiments as variants of interaction-free-measurement, now generalized for both spatial and temporal uncertainties. We next employ weak measurements for elucidating the paradox. Interpretational issues are discussed in the conclusion, and a resolution is offered within the Two-State Vector Formalism and its new Heisenberg framework.

How Kondo-holes create intense nanoscale heavy-fermion hybridization disorder

PubMed Central

Hamidian, Mohammad H.; Schmidt, Andrew R.; Firmo, Inês A.; Allan, Milan P.; Bradley, Phelim; Garrett, Jim D.; Williams, Travis J.; Luke, Graeme M.; Dubi, Yonatan; Balatsky, Alexander V.; Davis, J. C.

2011-01-01

Replacing a magnetic atom by a spinless atom in a heavy-fermion compound generates a quantum state often referred to as a “Kondo-hole”. No experimental imaging has been achieved of the atomic-scale electronic structure of a Kondo-hole, or of their destructive impact [Lawrence JM, et al. (1996) Phys Rev B 53:12559–12562] [Bauer ED, et al. (2011) Proc Natl Acad Sci. 108:6857–6861] on the hybridization process between conduction and localized electrons which generates the heavy-fermion state. Here we report visualization of the electronic structure at Kondo-holes created by substituting spinless thorium atoms for magnetic uranium atoms in the heavy-fermion system URu2Si2. At each thorium atom, an electronic bound state is observed. Moreover, surrounding each thorium atom we find the unusual modulations of hybridization strength recently predicted to occur at Kondo-holes [Figgins J, Morr DK (2011) Phys Rev Lett 107:066401]. Then, by introducing the “hybridization gapmap” technique to heavy-fermion studies, we discover intense nanoscale heterogeneity of hybridization due to a combination of the randomness of Kondo-hole sites and the long-range nature of the hybridization oscillations. These observations provide direct insight into both the microscopic processes of heavy-fermion forming hybridization and the macroscopic effects of Kondo-hole doping. PMID:22006302

Theoretical study on the photocatalytic properties of graphene oxide with single Au atom adsorption

NASA Astrophysics Data System (ADS)

Ju, Lin; Dai, Ying; Wei, Wei; Li, Mengmeng; Jin, Cui; Huang, Baibiao

2018-03-01

The photocatalytic properties of graphene oxide (GO) with single Au atom adsorption are studied via the first-principles calculations based on the density functional theory. The present study addresses the origin of enhancement in photocatalytic efficiency of GO derived from single Au atom depositing. Compared with the clean one, the work function of the single Au atom adsorbed GO is lowered due to the charge transfer from Au to GO, indicating enhanced surface activity. The Au atom plays as an electron trapping center and a mediating role in charge transfer from photon excited GO to target species. The photogenerated electron-hole pairs can be separated effectively. For the GO configuration with atomic Au dispersion, there are some states introduced in the band gap, which are predominantly composed of Au 6s states. Through the in-gap state, the photo-generated electron transfer from the valence band of clean GO to the conductive band more easily. In addition, the reduction of the gap in the system is also presented in the current work, which indicates that the single Au atom adsorption improves light absorption for the GO based photocatalyst. These theoretical results are valuable for the future applications of GO materials as photocatalyst for water splitting.

Teleportation of a two-atom entangled state with a thermal cavity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin Lihua; Jin Xingri; Zhang Shou

2005-08-15

We present a scheme to teleport an unknown atomic entangled state in driven cavity QED. In our scheme, the success probability can reach 1.0. In addition, the scheme is insensitive to the cavity decay and the thermal field.

Long-range interactions of hydrogen atoms in excited states. III. n S -1 S interactions for n ≥3

NASA Astrophysics Data System (ADS)

Adhikari, C. M.; Debierre, V.; Jentschura, U. D.

2017-09-01

The long-range interaction of excited neutral atoms has a number of interesting and surprising properties such as the prevalence of long-range oscillatory tails and the emergence of numerically large van der Waals C6 coefficients. Furthermore, the energetically quasidegenerate n P states require special attention and lead to mathematical subtleties. Here we analyze the interaction of excited hydrogen atoms in n S states (3 ≤n ≤12 ) with ground-state hydrogen atoms and find that the C6 coefficients roughly grow with the fourth power of the principal quantum number and can reach values in excess of 240 000 (in atomic units) for states with n =12 . The nonretarded van der Waals result is relevant to the distance range R ≪a0/α , where a0 is the Bohr radius and α is the fine-structure constant. The Casimir-Polder range encompasses the interatomic distance range a0/α ≪R ≪ℏ c /L , where L is the Lamb shift energy. In this range, the contribution of quasidegenerate excited n P states remains nonretarded and competes with the 1 /R2 and 1 /R4 tails of the pole terms, which are generated by lower-lying m P states with 2 ≤m ≤n -1 , due to virtual resonant emission. The dominant pole terms are also analyzed in the Lamb shift range R ≫ℏ c /L . The familiar 1 /R7 asymptotics from the usual Casimir-Polder theory is found to be completely irrelevant for the analysis of excited-state interactions. The calculations are carried out to high precision using computer algebra in order to handle a large number of terms in intermediate steps of the calculation for highly excited states.

Ultracold collisions between Rb atoms and a Sr+ ion

NASA Astrophysics Data System (ADS)

Meir, Ziv; Sikorsky, Tomas; Ben-Shlomi, Ruti; Dallal, Yehonatan; Ozeri, Roee

2015-05-01

In last decade, a novel field emerged, in which ultracold atoms and ions in overlapping traps are brought into interaction. In contrast to the short ranged atom-atom interaction which scales as r-6, atom-ion potential persists for hundreds of μm's due to its lower power-law scaling - r-4. Inelastic collisions between the consistuents lead to spin and charge transfer and also to molecule formation. Elastic collisions control the energy transfer between the ion and the atoms. The study of collisions at the μK range has thus far been impeded by the effect of the ion's micromotion which limited collision energy to mK scale. Unraveling this limit will allow to investigate few partial wave and even S-wave collisions. Our system is capable of trapping Sr+ ions and Rb and Sr atoms and cooling them to their quantum ground state. Atoms and ions are trapped and cooled in separate chambers. Then, the atoms are transported using an optical conveyer belt to overlap the ions. In contrast to other experiments in this field where the atoms are used to sympathetic cool the ion, our system is also capable of ground state cooling the ion before immersing it into the atom cloud. By this method, we would be able to explore heating and cooling dynamics in the ultracold regime.

Description of the atomic disorder (local order) in crystals by the mixed-symmetry method

NASA Astrophysics Data System (ADS)

Dudka, A. P.; Novikova, N. E.

2017-11-01

An approach to the description of local atomic disorder (short-range order) in single crystals by the mixed-symmetry method based on Bragg scattering data is proposed, and the corresponding software is developed. In defect-containing crystals, each atom in the unit cell can be described by its own symmetry space group. The expression for the calculated structural factor includes summation over different sets of symmetry operations for different atoms. To facilitate the search for new symmetry elements, an "atomic disorder expert" was developed, which estimates the significance of tested models. It is shown that the symmetry lowering for some atoms correlates with the existence of phase transitions (in langasite family crystals) and the anisotropy of physical properties (in rare-earth dodecaborides RB12).

Cold nuclear fusion

NASA Astrophysics Data System (ADS)

Tsyganov, E. N.; Bavizhev, M. D.; Buryakov, M. G.; Dabagov, S. B.; Golovatyuk, V. M.; Lobastov, S. P.

2015-07-01

If target deuterium atoms were implanted in a metal crystal in accelerator experiments, a sharp increase in the probability of DD-fusion reaction was clearly observed when compared with the reaction's theoretical value. The electronic screening potential, which for a collision of free deuterium atoms is about 27 eV, reached 300-700 eV in the case of the DD-fusion in metallic crystals. These data leads to the conclusion that a ban must exist for deuterium atoms to be in the ground state 1s in a niche filled with free conduction electrons. At the same time, the state 2p whose energy level is only 10 eV above that of state 1s is allowed in these conditions. With anisotropy of 2p, 3p or above orbitals, their spatial positions are strictly determined in the lattice coordinate system. When filling out the same potential niches with two deuterium atoms in the states 2p, 3p or higher, the nuclei of these atoms can be permanently positioned without creating much Coulomb repulsion at a very short distance from each other. In this case, the transparency of the potential barrier increases dramatically compared to the ground state 1s for these atoms. The probability of the deuterium nuclei penetrating the Coulomb barrier by zero quantum vibration of the DD-system also increases dramatically. The so-called cold nuclear DD-fusion for a number of years was registered in many experiments, however, was still rejected by mainstream science for allegedly having no consistent scientific explanation. Finally, it received the validation. Below, we outline the concept of this explanation and give the necessary calculations. This paper also considers the further destiny of the formed intermediate state of 4He∗.

Quantum theory of an atom in proximity to a superconductor

NASA Astrophysics Data System (ADS)

Le Dall, Matthias; Diniz, Igor; Dias da Silva, Luis G. G. V.; de Sousa, Rogério

2018-02-01

The impact of superconducting correlations on localized electronic states is important for a wide range of experiments in fundamental and applied superconductivity. This includes scanning tunneling microscopy of atomic impurities at the surface of superconductors, as well as superconducting-ion-chip spectroscopy of neutral ions and Rydberg states. Moreover, atomlike centers close to the surface are currently believed to be the main source of noise and decoherence in qubits based on superconducting devices. The proximity effect is known to dress atomic orbitals in Cooper-pair-like states known as Yu-Shiba-Rusinov (YSR) states, but the impact of superconductivity on the measured orbital splittings and optical-noise transitions is not known. Here we study the interplay between orbital degeneracy and particle-number admixture in atomic states, beyond the usual classical spin approximation. We model the atom as a generalized Anderson model interacting with a conventional s -wave superconductor. In the limit of zero on-site Coulomb repulsion (U =0 ), we obtain YSR subgap energy levels that are identical to the ones obtained from the classical spin model. When Δ is large and U >0 , the YSR spectra are no longer quasiparticle-like, and the highly degenerate orbital subspaces are split according to their spin, orbital, and number-parity symmetry. We show that U >0 activates additional poles in the atomic Green's function, suggesting an alternative explanation for the peak splittings recently observed in scanning tunneling microscopy of orbitally-degenerate impurities in superconductors. We describe optical excitation and absorption of photons by YSR states, showing that many additional optical channels open up in comparison to the nonsuperconducting case. Conversely, the additional dissipation channels imply increased electromagnetic noise due to impurities in superconducting devices.

Fast, High-Precision Optical Polarization Synthesizer for Ultracold-Atom Experiments

NASA Astrophysics Data System (ADS)

Robens, Carsten; Brakhane, Stefan; Alt, Wolfgang; Meschede, Dieter; Zopes, Jonathan; Alberti, Andrea

2018-03-01

We present a technique for the precision synthesis of arbitrary polarization states of light with a high modulation bandwidth. Our approach consists of superimposing two laser light fields with the same wavelength, but with opposite circular polarizations, where the phase and the amplitude of each light field are individually controlled. We find that the polarization-synthesized beam reaches a degree of polarization of 99.99%, which is mainly limited by static spatial variations of the polarization state over the beam profile. We also find that the depolarization caused by temporal fluctuations of the polarization state is about 2 orders of magnitude smaller. In a recent work, Robens et al. [Low-Entropy States of Neutral Atoms in Polarization-Synthesized Optical Lattices, Phys. Rev. Lett. 118, 065302 (2017), 10.1103/PhysRevLett.118.065302] demonstrated an application of the polarization synthesizer to create two independently controllable optical lattices which trap atoms depending on their internal spin state. We use ultracold atoms in polarization-synthesized optical lattices to give an independent, in situ demonstration of the performance of the polarization synthesizer.

Handshake electron transfer from hydrogen Rydberg atoms incident at a series of metallic thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gibbard, J. A.; Softley, T. P.

2016-06-21

Thin metallic films have a 1D quantum well along the surface normal direction, which yields particle-in-a-box style electronic quantum states. However the quantum well is not infinitely deep and the wavefunctions of these states penetrate outside the surface where the electron is bound by its own image-charge attraction. Therefore a series of discrete, vacant states reach out from the thin film into the vacuum increasing the probability of electron transfer from an external atom or molecule to the thin film, especially for the resonant case where the quantum well energy matches that of the atom. We show that “handshake” electronmore » transfer from a highly excited Rydberg atom to these thin-film states is experimentally measurable. Thicker films have a wider 1D box, changing the energetic distribution and image-state contribution to the thin film wavefunctions, resulting in more resonances. Calculations successfully predict the number of resonances and the nature of the thin-film wavefunctions for a given film thickness.« less

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

NASA Astrophysics Data System (ADS)

Barklem, P. S.

2018-05-01

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

The Atom in a Molecule: Implications for Molecular Structure and Properties

DTIC Science & Technology

2016-05-23

unlimited. PA Clearance #16075.” Atomic- Product Representations of Molecules Employ “van der Waals” products of atomic states to represent molecules...representation the electrons “stay home” with each nucleus. Atomic fragment operators are well-defined over product representations. Expectation values of...release; distribution unlimited. PA Clearance #16075.” Hamiltonian Matrix in the Atomic- Product Basis Technical Questions Addressed: J. Chem. Phys

Dynamic target ionization using an ultrashort pulse of a laser field

NASA Astrophysics Data System (ADS)

Makarov, D. N.; Matveev, V. I.; Makarova, K. A.

2014-09-01

Ionization processes under the interaction of an ultrashort pulse of an electromagnetic field with atoms in nonstationary states are considered. As an example, the ionization probability of the hydrogen-like atom upon the decay of quasi-stationary state is calculated. The method developed can be applied to complex systems, including targets in collisional states and various chemical reactions.

Teleporting a state inside a single bimodal high-Q cavity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pires, Geisa; Baseia, B.; Avelar, A.T.

2005-06-15

We discuss a simplified scheme to teleport a state from one mode to another of the same bimodal cavity, with these two modes having distinct frequencies and orthogonal polarizations. The scheme employs two two-level (Rydberg) atoms plus classical fields (Ramsey zones) and selective atomic state detectors. The result has potential use for the manipulation of quantum information processing.

In Situ Atomic-Scale Observation of Electrochemical Delithiation Induced Structure Evolution of LiCoO2 Cathode in a Working All-Solid-State Battery.

PubMed

Gong, Yue; Zhang, Jienan; Jiang, Liwei; Shi, Jin-An; Zhang, Qinghua; Yang, Zhenzhong; Zou, Dongli; Wang, Jiangyong; Yu, Xiqian; Xiao, Ruijuan; Hu, Yong-Sheng; Gu, Lin; Li, Hong; Chen, Liquan

2017-03-29

We report a method for in situ atomic-scale observation of electrochemical delithiation in a working all-solid-state battery using a state-of-the-art chip based in situ transmission electron microscopy (TEM) holder and focused ion beam milling to prepare an all-solid-state lithium-ion battery sample. A battery consisting of LiCoO 2 cathode, LLZO solid state electrolyte and gold anode was constructed, delithiated and observed in an aberration corrected scanning transmission electron microscope at atomic scale. We found that the pristine single crystal LiCoO 2 became nanosized polycrystal connected by coherent twin boundaries and antiphase domain boundaries after high voltage delithiation. This is different from liquid electrolyte batteries, where a series of phase transitions take place at LiCoO 2 cathode during delithiation. Both grain boundaries become more energy favorable along with extraction of lithium ions through theoretical calculation. We also proposed a lithium migration pathway before and after polycrystallization. This new methodology could stimulate atomic scale in situ scanning/TEM studies of battery materials and provide important mechanistic insight for designing better all-solid-state battery.

Cross Modulation of Two Laser Beams at the Individual-Photon Level

DTIC Science & Technology

2014-09-12

medium, such that the photons travel as slow-light polaritons [15,25,26], whose atomic excitation component can block the transmission of another light...through the ensemble, traveling in the medium as slow-light polaritons , a superposition of a photon and a collective atomic excitation to the state...unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 slow-light polariton , the polariton’s atomic component in state jci reduces

Minima in generalized oscillator strengths for initially excited hydrogen-like atoms

NASA Technical Reports Server (NTRS)

Matsuzawa, M.; Omidvar, K.; Inokuti, M.

1976-01-01

Generalized oscillator strengths for transitions from an initially excited state of a hydrogenic atom to final states (either discrete or continuum) have complicated structures, including minima and shoulders, as functions of the momentum transfer. Extensive calculations carried out in the present work have revealed certain systematics of these structures. Some implications of the minima to the energy dependence of the inner-shell ionization cross section of heavy atoms by proton impact are discussed.

Continuum ionization transition probabilities of atomic oxygen

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Petrosky, V. E.

1974-01-01

The technique of photoelectron spectroscopy was employed in the investigation. Atomic oxygen was produced in a microwave discharge operating at a power of 40 W and at a pressure of approximately 20 mtorr. The photoelectron spectrum of the oxygen with and without the discharge is shown. The atomic states can be clearly seen. In connection with the measurement of the probability for transitions into the various ionic states, the analyzer collection efficiency was determined as a function of electron energy.

Photoionization of atoms and molecules. [of hydrogen, helium, and xenon

NASA Technical Reports Server (NTRS)

Samson, J. A. R.

1976-01-01

A literature review on the present state of knowledge in photoionization is presented. Various experimental techniques that have been developed to study photoionization, such as fluorescence and photoelectron spectroscopy, mass spectroscopy, are examined. Various atoms and molecules were chosen to illustrate these techniques, specifically helium and xenon atoms and hydrogen molecules. Specialized photoionization such as in positive and negative ions, excited states, and free radicals is also treated. Absorption cross sections and ionization potentials are also discussed.

Control of Wannier orbitals for generating tunable Ising interactions of ultracold atoms in an optical lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaba, Kensuke; Tamaki, Kiyoshi; Igeta, Kazuhiro

2014-12-04

In this study, we propose a method for generating cluster states of atoms in an optical lattice. By utilizing the quantum properties of Wannier orbitals, we create an tunable Ising interaction between atoms without inducing the spin-exchange interactions. We investigate the cause of errors that occur during entanglement generations, and then we propose an error-management scheme, which allows us to create high-fidelity cluster states in a short time.

Platinum single-atom and cluster catalysis of the hydrogen evolution reaction

NASA Astrophysics Data System (ADS)

Cheng, Niancai; Stambula, Samantha; Wang, Da; Banis, Mohammad Norouzi; Liu, Jian; Riese, Adam; Xiao, Biwei; Li, Ruying; Sham, Tsun-Kong; Liu, Li-Min; Botton, Gianluigi A.; Sun, Xueliang

2016-11-01

Platinum-based catalysts have been considered the most effective electrocatalysts for the hydrogen evolution reaction in water splitting. However, platinum utilization in these electrocatalysts is extremely low, as the active sites are only located on the surface of the catalyst particles. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their efficiency by utilizing nearly all platinum atoms. Here we report on a practical synthesis method to produce isolated single platinum atoms and clusters using the atomic layer deposition technique. The single platinum atom catalysts are investigated for the hydrogen evolution reaction, where they exhibit significantly enhanced catalytic activity (up to 37 times) and high stability in comparison with the state-of-the-art commercial platinum/carbon catalysts. The X-ray absorption fine structure and density functional theory analyses indicate that the partially unoccupied density of states of the platinum atoms' 5d orbitals on the nitrogen-doped graphene are responsible for the excellent performance.

Platinum single-atom and cluster catalysis of the hydrogen evolution reaction

PubMed Central

Cheng, Niancai; Stambula, Samantha; Wang, Da; Banis, Mohammad Norouzi; Liu, Jian; Riese, Adam; Xiao, Biwei; Li, Ruying; Sham, Tsun-Kong; Liu, Li-Min; Botton, Gianluigi A.; Sun, Xueliang

2016-01-01

Platinum-based catalysts have been considered the most effective electrocatalysts for the hydrogen evolution reaction in water splitting. However, platinum utilization in these electrocatalysts is extremely low, as the active sites are only located on the surface of the catalyst particles. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their efficiency by utilizing nearly all platinum atoms. Here we report on a practical synthesis method to produce isolated single platinum atoms and clusters using the atomic layer deposition technique. The single platinum atom catalysts are investigated for the hydrogen evolution reaction, where they exhibit significantly enhanced catalytic activity (up to 37 times) and high stability in comparison with the state-of-the-art commercial platinum/carbon catalysts. The X-ray absorption fine structure and density functional theory analyses indicate that the partially unoccupied density of states of the platinum atoms' 5d orbitals on the nitrogen-doped graphene are responsible for the excellent performance. PMID:27901129

Radiative process of two entanglement atoms in de Sitter spacetime

NASA Astrophysics Data System (ADS)

Liu, Xiaobao; Tian, Zehua; Wang, Jieci; Jing, Jiliang

2018-05-01

We investigate the radiative processes of a quantum system composed by two identical two-level atoms in the de Sitter spacetime, interacting with a conformally coupled massless scalar field prepared in the de Sitter-invariant vacuum. We discuss the structure of the rate of variations of the atomic energy for two static atoms. Following a procedure developed by Dalibard, Dupont-Roc, and Cohen-Tannoudji, our intention is to identify in a quantitative way the contributions of vacuum fluctuations and the radiation reaction to the generation of quantum entanglement and to the degradation of entangled states. We find that when the distance between two atoms larger than the characteristic length scale, the rate of variation of atomic energy in the de Sitter-invariant vacuum behaves differently compared with that in the thermal Minkowski spacetime. In particular, the generation and degradation of quantum entanglement can be enhanced or inhibited, which are dependent not only on the specific entangled state but also on the distance between the atoms.

Nanothermodynamics of iron clusters: Small clusters, icosahedral and fcc-cuboctahedral structures

NASA Astrophysics Data System (ADS)

Angelié, C.; Soudan, J.-M.

2017-05-01

The study of the thermodynamics and structures of iron clusters has been carried on, focusing on small clusters and initial icosahedral and fcc-cuboctahedral structures. Two combined tools are used. First, energy intervals are explored by the Monte Carlo algorithm, called σ-mapping, detailed in the work of Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. In its flat histogram version, it provides the classical density of states, gp(Ep), in terms of the potential energy of the system. Second, the iron system is described by a potential which is called "corrected EAM" (cEAM), explained in the work of Basire et al. [J. Chem. Phys. 141, 104304 (2014), Paper II]. Small clusters from 3 to 12 atoms in their ground state have been compared first with published Density Functional Theory (DFT) calculations, giving a complete agreement of geometries. The series of 13, 55, 147, and 309 atom icosahedrons is shown to be the most stable form for the cEAM potential. However, the 147 atom cluster has a special behaviour, since decreasing the energy from the liquid zone leads to the irreversible trapping of the cluster in a reproducible amorphous state, 7.38 eV higher in energy than the icosahedron. This behaviour is not observed at the higher size of 309 atoms. The heat capacity of the 55, 147, and 309 atom clusters revealed a pronounced peak in the solid zone, related to a solid-solid transition, prior to the melting peak. The corresponding series of 13, 55, and 147 atom cuboctahedrons has been compared, underscoring the unstability towards the icosahedral structure. This unstability occurs clearly in several steps for the 147 atom cluster, with a sudden transformation at a transition state. This illustrates the concerted icosahedron-cuboctahedron transformation of Buckminster Fuller-Mackay, which is calculated for the cEAM potential. Two other clusters of initial fcc structures with 24 and 38 atoms have been studied, as well as a 302 atom cluster. Each one relaxes towards a more stable structure without regularity. The 38 atom cluster exhibits a nearly glassy relaxation, through a cascade of six metastable states of long life. This behaviour, as that of the 147 atom cluster towards the amorphous state, shows that difficulties to reach ergodicity in the lower half of the solid zone are related to particular features of the potential energy landscape, and not necessarily to a too large size of the system. Comparisons of the cEAM iron system with published results about Lennard-Jones systems and DFT calculations are made. The results of the previous clusters have been combined with that of Paper II to plot the cohesive energy Ec and the melting temperature Tm in terms of the cluster atom number Nat. The Nat -1 /3 linear dependence of the melting temperature (Pawlow law) is observed again for Nat > 150. In contrast, for Nat < 150, the curve diverges strongly from the Pawlow law, giving it an overall V-shape, with a linear increase of Tm when Nat goes from 55 to 13 atoms. Surprisingly, the 38 atom cluster is anomalously below the overall curve.

Kinetic and ab initio theoretical study of hydrogen atom abstraction from thiols by thiyl radicals: Basis rate expressions for reactions of sulfur-centered radicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alnajjar, M.S.; Garrossian, M.S.; Autrey, S.T.

1992-08-20

Arrhenius rate expressions were determined for the abstraction of hydrogen atom from thiophenol and hexanethiol by the octanethiyl radical at 25-100 {degrees}C in nonane. Octanethiyl radicals were produced by steady-state photolysis of octyl thiobenzoate. Analysis of octyl disulfide and octanethiyl radical. For hexanethiol, log (k{sub abs}/K{sub t}{sup 1/2}) = (2.94 {plus_minus} 0.29) - (3.84 {plus_minus}0.41)/0, and for thiophenol, log (k{sub abs}/k{sub 5}{sup 1/2}) = (2.56 {plus_minus} 0.19) - (2.88 {plus_minus} 0.28)/0;0=2.3RT kcal/mol. Combining these expressions with the Smoluchowski expression for self-termination of octanethiyl in nonane, log (k{sub t}{sup 1/2}) = 5.96 - 1.335/0, which employs experimental diffusion coefficients of octanethiolmore » and a spin selection factor {sigma} = 1, yields, for thiophenol, log (k{sub abs}/M{sup {minus}1}s{sup {minus}1}) = (8.52 {plus_minus} 0.18) = (4.22 {plus_minus} 0.27)/0, and for hexanethiol, log (k{sub abs}/M{sup {minus}1} s{sup {minus}1}) = (8.90 {plus_minus} 0.29) = (5.18 {plus_minus} 0.41)/0 (errors are 2{sigma}). The rate of disappearance of octanethiyl/diphenylketyl radical pairs in SDS micelles, determined by nanosecond optical spectroscopy, was found to be unchanged in a 700-G magnetic field, providing evidence for rapid intersystem crossing of sulfur-centered radical pairs and support for the assignment of {sigma} = 1 above. Ab initio electronic structure calculations on the reaction HS{sup {lg_bullet}} + HSH {r_arrow} HSH + {sup {lg_bullet}}SH, performed at SCF and correlated levels, predict an activation barrier of {Delta}H{sub 298} {sup {double_dagger}}= 4.6 kcal/mol, in close agreement with the experimental barrier for the octanethiyl + hexanethiol reactions. 43 refs., 5 figs., 4 tabs.« less

How large are nonadiabatic effects in atomic and diatomic systems?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yubo, E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Tubman, Norm M., E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Ceperley, David M.

2015-09-28

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

How large are nonadiabatic effects in atomic and diatomic systems?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.

2015-09-29

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

Quenches across the self-organization transition in multimode cavities

NASA Astrophysics Data System (ADS)

Keller, Tim; Torggler, Valentin; Jäger, Simon B.; Schütz, Stefan; Ritsch, Helmut; Morigi, Giovanna

2018-02-01

A cold dilute atomic gas in an optical resonator can be radiatively cooled by coherent scattering processes when the driving laser frequency is tuned close to but below the cavity resonance. When the atoms are sufficiently illuminated, their steady state undergoes a phase transition from a homogeneous distribution to a spatially organized Bragg grating. We characterize the dynamics of this self-ordering process in the semi-classical regime when distinct cavity modes with commensurate wavelengths are quasi-resonantly driven by laser fields via scattering by the atoms. The lasers are simultaneously applied and uniformly illuminate the atoms; their frequencies are chosen so that the atoms are cooled by the radiative processes, and their intensities are either suddenly switched or slowly ramped across the self-ordering transition. Numerical simulations for different ramp protocols predict that the system will exhibit long-lived metastable states, whose occurrence strongly depends on the initial temperature, ramp speed, and the number of atoms.