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Natural occupation numbers: When do they vanish?

The non-vanishing of the natural orbital occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix-potential mapping for nonlocal potentials in reduced density matrix functional theory and for the validity of the extended Koopmans' Theorem. On the basis of Weyl's theorem we give a connection between the differentiability properties of the ground state wave function and the rate at which the natural occupations approach zero when ordered as a descending series. We show, in particular, that the presence of a Coulomb cusp in the wave function leads, in general, to a power law decay of the natural occupations, whereas infinitely differentiable wave-functions typically have natural occupations that decay exponentially. We analyze for a number of explicit examples of two-particle systems that in case the wave function is non-analytic at its spatial diagonal (for instance, due to the presence of a Coulomb cusp) the natural orbital occupations are non-vanishing. We further derive a more general criterium for the non-vanishing of NO occupations for two-particle wave functions with a certain separability structure. On the basis of this criterium we show that for a two-particle system of harmonically confined electrons with a Coulombic interaction (the so-called Hookium) the natural orbital occupations never vanish.

physics.atom-ph↗

An atom trap trace analysis system for measuring krypton contamination in xenon dark matter detectors

We have developed an atom trap trace analysis (ATTA) system to measure Kr in Xe at the part per trillion (ppt) level, a prerequisite for the sensitivity achievable with liquid xenon dark matter detectors beyond the current generation. Since Ar and Kr have similar laser cooling wavelengths, the apparatus has been tested with Ar to avoid contamination prior to measuring Xe samples. A radio-frequency (RF) plasma discharge generates a beam of metastable atoms which is optically collimated, slowed, and trapped using standard magneto-optical techniques. Based on the measured overall system efficiency of $1.2 \times 10^{-8}$ (detection mode) we expect the ATTA system to reach the design goal sensitivity to ppt concentrations of Kr in Xe in $<2$ hours.

physics.atom-ph↗

Off-resonance energy absorption in a linear Paul trap due to mass selective resonant quenching

Linear Paul r.f. ion traps (LPT) are used in many experimental studies such as mass spectrometry, atom-ion collisions and ion-molecule reactions. Mass selective resonant quenching (MSRQ) is implemented in LPT either to identify a charged particle's mass or to remove unwanted ions from a controlled experimental environment. In the latter case, MSRQ can introduce undesired heating to co-trapped ions of different mass, whose secular motion is off resonance with the quenching ac field, which we call off-resonance energy absorption (OREA). We present simulations and experimental evidence that show that the OREA increases exponentially with the number of ions loaded into the trap and with the amplitude of the off-resonance external ac field.

physics.atom-ph↗

Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random phase wavefunctions

Two-photon photoassociation of hot magnesium atoms by femtosecond laser pulses, creating electronically excited magnesium dimer molecules, is studied from first principles, combining \textit{ab initio} quantum chemistry and molecular quantum dynamics. This theoretical framework allows for rationalizing the generation of molecular rovibrational coherence from thermally hot atoms [L. Rybak \textit{et al.}, Phys. Rev. Lett. {\bf 107}, 273001 (2011)]. Random phase thermal wave functions are employed to model the thermal ensemble of hot colliding atoms. Comparing two different choices of basis functions, random phase wavefunctions built from eigenstates are found to have the fastest convergence for the photoassociation yield. The interaction of the colliding atoms with a femtosecond laser pulse is modeled non-perturbatively to account for strong-field effects.

quant-ph↗

A scalable, fast and multichannel arbitrary waveform generator

This article reports on development of a multichannel arbitrary waveform generator (MAWG), which simultaneously generates arbitrary voltage waveforms on 24 independent channels with a dynamic update rate of up to 25 Msps. A real-time execution of a single waveform and/or sequence of multiple waveforms in succession, with a user programmable arbitrary sequence order is provided under the control of a stand-alone sequencer circuit implemented using an FPGA. The device is operated using an internal clock and can be synced to other devices by means of the TTL pulses. The device can be used for output voltages in the range of up to +-9 V with a drift rate below +-10 uV/min and a maximum deviation less than +-300 uVpp over a period of two hours.

physics.ins-det↗

Theoretical study of ThO for the electron electric dipole moment search

An experiment to search for the electron electric dipole moment (\eEDM) on the metastable $H^3Δ_1$ state of ThO molecule was proposed and now in the final stage of preparation by the ACME collaboration [http://www.electronedm.org]. To interpret the experiment in terms of \eEDM\ and dimensionless constant $k_{T,P}$ characterizing the strength of the scalar T,P-odd electron-nucleus neutral current interaction, an accurate theoretical study of effective electric field on electron, Eeff, and $W_{T,P}$ constants is required. We report calculation of \Eeff\ (84 GV/cm) and a parameter of T,P-odd scalar neutral currents interaction, $W_{T,P}$ (116 kHz), together with the hyperfine structure constant, molecule frame dipole moment and $H^3Δ_1\to X^1Σ^+$ transition energy, which can serve as a measure of reliability of the obtained \Eeff\ and $W_{T,P}$ values. Besides, our results include a parity assignment and evaluation of the electric-field dependence for the magnetic $g$ factors for the $Ω$-doublets of $H^3Δ_1$.

physics.chem-ph↗

Optimally focused cold atom systems obtained using density-density correlations

Resonant absorption imaging is a common technique for detecting the two-dimensional column density of ultracold atom systems. In many cases, the system's thickness along the imaging direction greatly exceeds the imaging system's depth of field, making the identification of the optimally focused configuration difficult. Here we describe a systematic technique for bringing Bose-Einstein condensates (BEC) and other cold-atom systems into an optimal focus even when the ratio of the thickness to the depth of field is large: a factor of 8 in this demonstration with a BEC. This technique relies on defocus-induced artifacts in the Fourier-transformed density-density correlation function (the power spectral density, PSD). The spatial frequency at which these artifacts first appear in the PSD is maximized on focus; the focusing process therefore both identifies and maximizes the range of spatial frequencies over which the PSD is uncontaminated by finite-thickness effects.

physics.atom-ph↗

Scalar Gravitational Aharonov-Bohm Effect: Generalization of the Gravitational Redshift

The Aharonov-Bohm effect is a quantum mechanical phenomenon that demonstrates how potentials can have observable effects even when the classical fields associated with those potentials are absent. Initially proposed for electromagnetic interactions, this effect has been experimentally confirmed and extensively studied over the years. More recently, the effect has been observed in the context of gravitational interactions using atom interferometry. Additionally, recent predictions suggest that temporal variations in the phase of an electron wave function will induce modulation sidebands in the energy levels of an atomic clock, solely driven by a time-varying scalar gravitational potential [1]. In this study, we consider the atomic clock as a two-level system undergoing continuous Rabi oscillations between the electron's ground and excited state. We assume the photons driving the transition are precisely frequency-stabilized to match the transition, enabling accurate clock comparisons. Our analysis takes into account, that when an atom transitions from its ground state to an excited state, it absorbs energy, increasing its mass according to the mass-energy equivalence principle. Due to the mass difference between the two energy levels, we predict that an atomic clock in an eccentric orbit will exhibit a constant frequency shift relative to a ground clock corresponding to the orbit's average gravitational redshift, with additional modulation sidebands due to the time-varying gravitational potential.

quant-ph↗

Radiation trapping and Lévy flights in atomic vapours: an introductory review

Multiple scattering is a process in which a particle is repeatedly deflected by other particles. In an overwhelming majority of cases, the ensuing random walk can successfully be described through Gaussian, or normal, statistics. However, like a (growing) number of other apparently inofensive systems, diffusion of light in dilute atomic vapours eludes this familiar interpretation, exhibiting a superdiffusive behavior. As opposed to normal diffusion, whereby the particle executes steps in random directions but with lengths slightly varying around an average value (like a drunkard whose next move is unpredictable but certain to within a few tens of centimeters), superdiffusion is characterized by sudden abnormally long steps (Lévy flights) interrupting sequences of apparently regular jumps which, although very rare, determine the whole dynamics of the system. The formal statistics tools to describe superdiffusion already exist and rely on stable, well understood distributions. As scientists become aware of, and more familiar with, this non-orthodox possibility of interpretation of random phenomena, new systems are discovered or re-interpreted as following Lévy statistics. Propagation of light in resonant atomic vapours is one of these systems that have been studied for decades and have only recently been shown to be the scene of Lévy flights.

physics.atom-ph↗

Interatomic potentials, electric properties, and spectroscopy of the ground and excited states of the Rb_2 molecule: Ab initio calculations and effect of a non-resonant field

We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio} calculations employing the double electron attachment intermediate Hamiltonian Fock space coupled cluster method restricted to single and double excitations for all electronic states of the Rb$_2$ molecule up to $5s+5d$ dissociation limit of about 26.000$\,$cm$^{-1}$. In order to correctly predict the spectroscopic behavior of Rb$_2$, we have also calculated the electric transition dipole moments, non-adiabatic coupling and spin-orbit coupling matrix elements, and static dipole polarizabilities, using the multireference configuration interaction method. When a molecule is exposed to strong non-resonant light, its rovibrational levels get hybridized. We study the spectroscopic signatures of this effect for transitions between the X$^1Σ_g^+$ electronic ground state and the A$^1Σ_u^+$ and b$^3Π_u$ excited state manifold. The latter is characterized by strong perturbations due to the spin-orbit interaction. We find that for non-resonant field strengths of the order $10^9$W/cm$^2$, the spin-orbit interaction and coupling to the non-resonant field become comparable. The non-resonant field can then be used to control the singlet-triplet character of a rovibrational level.

physics.atom-ph↗

Optical Kerr and Cotton-Mouton effects in atomic gases: a quantum-statistical study

Theory of the birefringence of the refractive index in atomic diamagnetic dilute gases in the presence of static electric (optical Kerr effect) and magnetic (Cotton-Mouton effect) fields is formulated. Quantum-statistical expressions for the second Kerr and Cotton-Mouton virial coefficients, valid both in the low and high temperature regimes, are derived. It is shown that both virial coefficients can rigorously be related to the difference of the fourth derivatives of the thermodynamic (pressure) virial coefficient with respect to the strength of the non-resonant optical fields with parallel and perpendicular polarizations and with respect to the external static (electric or magnetic) field. Semiclassical expansions of the Kerr and Cotton-Mouton coefficients are also considered, and quantum corrections up to and including the second order are derived. Calculations of the second Kerr and Cotton-Mouton virial coefficients of the helium-4 gas at various temperatures are reported. The role of the quantum-mechanical effects and the convergence properties of the semiclassical expansions are discussed. Theoretical results are compared with the available experimental data.

physics.atom-ph↗

Laser cooling of rotation and vibration by optical pumping

We have recently demonstrated that optical pumping methods combined with photoassociation of ultra-cold atoms can produce ultra-cold and dense samples of molecules in their absolute rovibronic ground state. More generally, both the external and internal degrees of freedom can be cooled by addressing selected rovibrational levels on demand. Here, we recall the basic concepts and main steps of our experiments, including the excitation schemes and detection techniques we use to achieve the rovibrational cooling of Cs2 molecules. In addition, we present the determination of formation pathways and a theoretical analysis explaining the experimental observations. These simulations improves the spectroscopic knowledge required to transfer molecules to any desired rovibrational level.

physics.atom-ph↗

VUV Spectroscopic Study of the BB" 1Su+ State of H2

Spectral lines, probing rotational quantum states J'=0,1,2 of the inner well vibrations (v' =< 8) in the BB" 1Su+ state of molecular hydrogen, were recorded in high resolution using a vacuum ultraviolet (VUV) Fourier transform absorption spectrometer in the wavelength range 73-86 nm. Accurate line positions and predissociation widths are determined from a fit to the absorption spectra. Improved values for the line positions are obtained, while the predissociation widths agree well with previous investigations.

physics.chem-ph↗

Interplay between radiation pressure force and scattered light intensity in the cooperative scattering by cold atoms

The interplay between the superradiant emission of a cloud of cold two-level atoms and the radiation pressure force is discussed. Using a microscopic model of coupled atomic dipoles driven by an external laser, the radiation field and the average radiation pressure force are derived. A relation between the far-field scattered intensity and the force is derived, using the optical theorem. Finally, the scaling of the sample scattering cross section with the parameters of the system is studied.

physics.atom-ph↗

Tunable frequency reference by optical pumping-assisted intracavity V-type electromagnetically induced transparency

A tunable high resolution frequency reference is constructed using the narrowed cavity-linewidth by the optical pumping-assisted V-type electromagnetically induced transparency (EIT). At room temperature, the optical pumping effect will increase the transparency for the V-type EIT and therefore the cavity-linewidth can be narrowed apparently. For the seven EITs observed in our previous study, cavity-linewidth narrowing is observed in all of them. More importantly, we find that the cavity-linewidth can keep at 1.2MHz in a wide frequency range of 100MHz by utilizing the central EIT. This property provides a novel way for constructing high resolution tunable frequency reference via the intracavity EIT.

physics.optics↗

Dissociative recombination measurements of HCl+ using an ion storage ring

We have measured dissociative recombination of HCl+ with electrons using a merged beams configuration at the heavy-ion storage ring TSR located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present the measured absolute merged beams recombination rate coefficient for collision energies from 0 to 4.5 eV. We have also developed a new method for deriving the cross section from the measurements. Our approach does not suffer from approximations made by previously used methods. The cross section was transformed to a plasma rate coefficient for the electron temperature range from T=10 to 5000 K. We show that the previously used HCl+ DR data underestimate the plasma rate coefficient by a factor of 1.5 at T=10 K and overestimate it by a factor of 3.0 at T=300 K. We also find that the new data may partly explain existing discrepancies between observed abundances of chlorine-bearing molecules and their astrochemical models.

astro-ph.IM↗

Relativistic calculations of charge transfer probabilities in U92+ - U91+(1s) collisions using the basis set of cubic Hermite splines

A new approach for solving the time-dependent two-center Dirac equation is presented. The method is based on using the finite basis set of cubic Hermite splines on a two-dimensional lattice. The Dirac equation is treated in rotating reference frame. The collision of U92+ (as a projectile) and U91+ (as a target) is considered at energy E_lab=6 MeV/u. The charge transfer probabilities are calculated for different values of the impact parameter. The obtained results are compared with the previous calculations [I. I. Tupitsyn et al., Phys. Rev. A 82, 042701 (2010)], where a method based on atomic-like Dirac-Sturm orbitals was employed. This work can provide a new tool for investigation of quantum electrodynamics effects in heavy-ion collisions near the supercritical regime.

physics.atom-ph↗

Improved Ni I log(gf) Values and Abundance Determinations in the Photospheres of the Sun and Metal-poor Star HD 84937

Atomic transition probability measurements for 371 Ni I lines in the UV through near IR are reported. Branching fractions from data recorded using a Fourier transform spectrometer and a new echelle spectrograph are combined with published radiative lifetimes to determine these transition probabilities. Generally good agreement is found in comparisons to previously reported Ni I transition probability measurements. Use of the new echelle spectrograph, independent radiometric calibration methods, and independent data analysis routines enable a reduction of systematic errors and overall improvement in transition probability uncertainty over previous measurements. The new Ni I data are applied to high resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to derive new, more accurate Ni abundances. Lines covering a wide range of wavelength and excitation potential are used to search for non-LTE effects.

astro-ph.SR↗