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The zero-energy universal properties of scattering between a particle and a dimer that involves an identical particle are investigated for arbitrary scattering angular momenta. For this purpose, we derive an integral equation that generalises the Skorniakov - Ter-Martirosian equation to the case of non-zero angular mo... |
We present a major update to ElecSus, a computer program and underlying model to calculate the electric susceptibility of an alkali-metal atomic vapour. Knowledge of the electric susceptibility of a medium is essential to predict its absorptive and dispersive properties. |
Rydberg-atom ensembles are switched from a weakly- into a strongly-interacting regime via adiabatic transformation of the atoms from an approximately non-polar into a highly dipolar quantum state. The resultant electric dipole-dipole forces are probed using a device akin to a field ion microscope. |
Energy levels and transition rates for electric-dipole, electric-quadrupole, electric-octupole, magnetic-dipole, and magnetic-quadrupole transitions among the levels arising from the $n\ \leq$ 5 configurations in B-like Kr XXXII are calculated by using two state-of-the-art methods, namely, the multi-configuration Dirac... |
We demonstrate a new and efficient laser-locking technique that enables making large frequency jumps while keeping the laser in lock. A diode laser is locked at a variable offset from a Doppler-free spectral feature of rubidium vapor. |
The goal to control short-wavelength radiation for the investigation and manipulation of ultrafast dynamics in quantum systems coevolves with the growing availability of extreme-ultraviolet (XUV) and x-ray sources from high-harmonic generation and free-electron lasers. Here, we present an XUV spatio-spectral phase mod... |
We have developed the capability to determine accurate harmonic spectra for multielectron atoms within time-dependent R-matrix (TDRM) theory. Harmonic spectra can be calculated using the expectation value of the dipole length, velocity or acceleration operator. |
Experimental apparatus and measurement technique are described for precision absorption measurements in sodium - noble gas mixtures. The absolute absorption coefficient is measured in the wavelength range from 425 nm to 760 nm with 2% uncertainty and spectral resolution of 0.02 nm. |
We carry out a systematic study of the static and dynamic polarizabilities of the potassium atom using a first-principles high-precision relativistic all-order method in which all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Recommen... |
We study the effects of higher-order electronic correlations in the systems with particle-hole excited states using a relativistic hybrid method that combines configuration interaction and linearized coupled-cluster approaches. We find the configuration interaction part of the calculation sufficiently complete for eig... |
We renormalize the two-body contact interaction based on the exact solution of two interacting particles in a harmonic trap. This renormalization extends the validity of the contact interaction to large scattering lengths. |
Heavy-atom alkaline earth monofluoride molecules are considered as prospective systems to study spatial parity or spatial parity and time-reversal symmetry violating effects such as the nuclear anapole moment or the electron electric dipole moment. Comprehensive and highly accurate theoretical study of the electronic ... |
The electronic structure of the ground and some excited states of neutral atoms with the nuclear charge numbers $1\leq Z \leq 10$ and their single positive ions are investigated by means of our 2D mesh Hartree-Fock method for strong magnetic fields $0.5\leq \gamma \leq 10000$. For $\gamma=10000$ the ground state confi... |
The frequency dependent polarizabilities of the francium atom are calculated from the available data of energy levels and transition rates. Magic wavelengths for the state insensitive optical dipole trapping are identified from the calculated light shifts of the $7s~^2S_{1/2}$, $7p~^2P_{1/2, 3/2}$ and $8s~^{2}S_{1/2}$... |
Polarization properties of the photons emitted in the two-photon decay of hydrogen-like ions are studied within the framework of the density matrix and second-order perturbation theory. In particular, we derive the polarization correlation function that gives the probability of the (two-photon) coincidence measurement... |
We consider deflection of polarizable molecules by inhomogeneous optical fields, and analyze the role of molecular orientation and rotation in the scattering process. It is shown that molecular rotation induces spectacular rainbow-like features in the distribution of the scattering angle. |
Strong field processes in the non-relativistic regime are insensitive to the electron spin, i.e. the observables appear to be independent of this electron property. This does not have to be the case for several active electrons where Pauli principle may affect the their dynamics. |
We describe experiments and associated quantum simulations involving the production of ultracold $^{87}$Rb$_{2}$ molecules with nanosecond pulses of frequency-chirped light. With appropriate chirp parameters, the formation is dominated by coherent processes. |
We present measurements of the hyperfine splitting in the Yb-173 $6s6p~^1P_1^{\rm o} (F^{\prime}=3/2,7/2)$ states that disagree significantly with those measured previously by Das and Natarajan [Phys. Rev. A 76, 062505 (2007)]. We point out inconsistencies in their measurements and suggest that their error is due to o... |
The metastable ^{2}F_{7/2} and ^{2}D_{3/2} states of Yb^{+} are of interest for applications in metrology and quantum information and also act as dark states in laser cooling. These metastable states are commonly repumped to the ground state via the 638.6 nm ^{2}F_{7/2} -- ^{1}D[5/2]_{5/2} and 935.2 nm ^{2}D_{3/2} -- ... |
Compared to purely atomic collisions, ultracold collisions involving molecules have the potential to support a much larger number of Fano-Feshbach resonances due to the huge amount of ro-vibrational states available. In order to handle such ultracold atom-molecule collisions, we formulate a theory that incorporates th... |
The quadratic Zeeman shift coefficient of 3P0 clock state for strontium is determined in theory and experiment. In theory, we derived the expression of the quadratic Zeeman shift of 3P0 clock state for 88Sr and 87Sr in the weak-magnetic-field approximation. |
Recent advances in the high sensitivity spectroscopy have made it possible, in combination with accurate theoretical predictions, to observe for the first time very weak electric quadrupole transitions in a polar polyatomic molecule of water. Here we present accurate theoretical predictions of the complete quadrupole ... |
We investigate the phenomenon of bistability in a thermal gas of cesium atoms excited to Rydberg states. We present both measurements and a numerical model of the phenomena based on collisions. |
This table is a compilation of experimental values of magnetic hyperfine anomaly in atomic and ionic systems. The last extensive compilation was published in 1984 by Buttgenbach (Hyperfine Interactions 20, (1984) p 1) and the aim here is to make an up to date compilation. |
We present a review of two methods used to model recent LCLS experimental results for the 3C/3D line intensity ratio of Fe XVII (Bernitt et al. 2012), the time-dependent collisional-radiative method and the density-matrix approach. These are described and applied to a two-level atomic system excited by an X-ray free e... |
Ionization of acetylene by linearly-polarized, vacuum ultraviolet (VUV) laser pulses is modelled using time-dependent density functional theory. Several laser wavelengths are considered including one that produces direct ionization to the first excited cationic state while another excites the molecules to a Rydberg se... |
Two-atom systems in small traps are of fundamental interest, first of all for understanding the role of interactions in degenerate cold gases and for the creation of quantum gates in quantum information processing with single-atom traps. One of the key quantities is the inelastic relaxation (decay) time when one of th... |
The state-resolved differential cross sections for both the 1s2 1S0 - 1s2s 1S0 monopolar transition and the 1s2 1S0 - 1s2p 1P1 dipolar transition of atomic helium have been measured over a large momentum transfer region by the high-resolution inelastic X-ray scattering (IXS) for the first time. The almost perfect matc... |
We describe a $^{3}$He-$^{129}$Xe comagnetometer operating in stemless anodically bonded cells with a 6 mm$^3$ volume and a $^{129}$Xe spin coherence time of 300 sec. We use a $^{87}$Rb pulse-train magnetometer with co-linear pump and probe beams to study the nuclear spin frequency shifts caused by spin polarization o... |
Optical atomic clocks have demonstrated revolutionary advances in precision timekeeping, but their applicability to the real world is critically dependent on whether such clocks can operate outside a laboratory setting. The challenge to clock portability stems from the many obstacles not only in miniaturizing the unde... |
Spin-orbit interactions lead to small energy gaps between the outer-most $p_{1/2}$ and $p_{3/2}$ shells of noble gas atoms. Strong-field pulses tunnel-ionize an electron out of either shell resulting in spin-orbit-driven hole motion. |
We investigate here ground state properties of atoms, in which substitute fermions -- electrons by bosons, e.g. $\pi $ - meson. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. |
The intrinsic radiative lifetimes of the $5d^{10}6s$ $^{2}\text{S}_{1/2}$ and $5d^{9}6s^{2}$ $^{2}\text{D}_{3/2}$ bound excited states in the platinum anion $\text{Pt}^{-}$ have been studied at cryogenic temperatures at the Double ElectroStatic Ion Ring Experiment (DESIREE) facility at Stockholm University. The intrin... |
We have developed an atom interferometer providing a full inertial base. This device uses two counter-propagating cold-atom clouds that are launched in strongly curved parabolic trajectories. |
We propose a method for laser cooling and trapping a substantial class of polar molecules, and in particular titanium (II) oxide (TiO). This method uses pulsed electric fields to nonadiabatically remix the ground-state magnetic sublevels of the molecule, allowing us to build a magneto-optical trap (MOT) based on a qua... |
The energy dependence of the nonradiative electron capture cross-section is discussed in the relativistic domain. A simple analytic expression is obtained for inner-shell transitions using second-order perturbation theory. |
A glass ultrahigh vacuum chamber with rubidium alkali metal dispensers and non-evaporable getter pumps has been developed and used to create a cold atomic sample in a chamber that operates with only passive vacuum pumps. The ion-mass spectrum of evaporated gases from the alkali metal dispenser has been recorded as a f... |
A compact resonance ionization mass spectrometer is developed using two laser diodes and a quadrupole mass spectrometer to perform trace element analysis of potassium. With the help of a narrow linewidth of the laser diode, the isotope shifts of $^{40}{\rm K}$ and $^{41}{\rm K}$ of the 405 nm line with respect to $^{3... |
Atomic spin sensors are essential for beyond-the-standard-model exploration, biomagnetic measurement, and quantum navigation. While the traditional DC mode spin-exchange relaxation-free (SERF) comagnetometer achieves ultrahigh sensitivity, further improvements require suppressing technical noise and surpassing standar... |
The super-algebraic structure of a generalized version of the Jaynes-Cummings model is investigated. We find that a Z2 graded extension of the so(2,1) Lie algebra is the underlying symmetry of this model. |
We report on the demonstration of Doppler-free polarization spectroscopy of the D2 line of 6Li atoms. Counterintuitively, the presence of an Ar buffer gas, in a certain pressure range, causes a drastic enhancement of the polarization rotation signal. |
The present paper explores possible features of electron elastic scattering off endohedral fullerenes $A$@C$_{60}$. It focuses on how dynamical polarization of the encapsulated atom $A$ by an incident electron might alter scattering off $A$@C$_{60}$ compared to the static-atom-$A$ case, as well as how the C$_{60}$ con... |
We report on studies of simultaneous continuous-wave mirrorless lasing on multiple optical transitions, realized by pumping hot cesium vapor with laser light resonant with the 6$S_{1/2}\rightarrow 8$P$_{3/2}$ transition. The multiplicity of decay paths for the excited atoms to their ground state is responsible for the... |
We calibrate the distorted wave Born approximation (DWBA) for electron impact excitation processes empirically. Differential cross sections (DCS) for the excitation of the $2p^53s$, $2p^53p$,$2p^54s$, and $2p^54p$ configurations of Ne and the $3p^54s$ and $3p^54p$ configurations of Ar by electron impact are calculated... |
We discuss the role of light absorption by pairs of atoms (radiative collisions) in the context of a model for an atom laser. The model is applied to the case of VSCPT cooling of metastable triplet helium. |
We describe the current status of high-precision ab initio calculations of the spectra of molecular hydrogen ions (H_2^+ and HD^+) and of two experiments for vibrational spectroscopy. The perspectives for a comparison between theory and experiment at a level of 1 ppb are considered. |
Systems of interacting classical harmonic oscillators have received considerable attention in the last years as analog models for describing electromagnetically induced transparency (EIT) and associated phenomena. We review these models and investigate their validity for a variety of physical systems using two- and th... |
We present an investigation on the resonances of a doubly excited helium atom in a strong magnetic field covering the regime B = 0-100 a.u. A full-interaction approach which is based on an anisotropic Gaussian basis set of one-particle functions being nonlinearly optimized for each field strength is employed. Accurate... |
We introduce a new linear relation in the isotope shifts of atomic spectroscopy. While the famous King relation is the linear relation among the different transitions, the new one is the linear relation among the different isotope pairs. |
The reported new algorithm determines the exact exchange potential v_x in a iterative way using energy and orbital shifts (ES, OS) obtained - with finite-difference formulas - from the solutions (occupied orbitals and their energies) of the Hartree-Fock-like equation and the Kohn-Sham-like equation, the former used for... |
Within a systematic approach based on the dimensionally regularized nonrelativistic quantum electrodynamics, we derive the complete result for the two-loop correction to order $(\alpha/\pi)^2 (Z \alpha)^4$ for the $g$ factor of an electron bound in an $nS$ state of a hydrogenlike ion. The results obtained significantl... |
We propose a versatile and efficient method to generate a broad class of complex entangled states of many atoms via the detection of a single photon. For an atomic ensemble contained in a strongly coupled optical cavity illuminated by weak single- or multi-frequency light, the atom-light interaction entangles the freq... |
The classical dynamics of a cold atom trapped inside a vertical rotating helical optical tube (HOT) is investigated by taking also into account the gravitational field. The resulting equations of motion are solved numerically. |
We study a method to induce resonant transitions between antihydrogen quantum states above a material surface in the gravitational field of the Earth. The method consists in applying a gradient of magnetic field which is temporally oscillating with the frequency equal to a frequency of a transition between gravitation... |
We consider the final stage of double ionization of $\rm O_2$ molecules by short linearly polarized laser pulses. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons from a molecule takes place are identified. |
The standard Bloch oscillation normally refers to the oscillatory tunneling dynamics of quantum particles in a periodic lattice plus a linear gradient. In this work we theoretically investigate the generalized form of the Bloch oscillation in the presence of additional higher order gradients, and demonstrate that the ... |
Within the framework of the coplanar binary geometry where it is justified to use plane wave solutions for the study of the $(e,2e)$ reaction and in the presence of a circularly polarized laser field, we introduce as a first step the DVRPWBA1 (Dirac-Volkov Plane Wave Born Approximation1) where we take into account only... |
The photoionization of the four-electron beryllium-like isoelectronic series from the neutral to Fe^{+22} has been studied for ground ^1S and metastable ^3P initial states. The wave functions of the final-state (target) ions were built using the CIV3 code. |
We report a computational study of the anion states of the resveratrol (RV) and resorcinol (RS) molecules, also investigating dissociative electron attachment (DEA) pathways. RV has well known beneficial effects in human health, and its antioxidant activity was previously associated with DEA reactions producing H$_2$.... |
Measurements of energy-resolved positron-molecule annihilation show the existence of positron binding and vibrational Feshbach resonances. The existing theory describes this phenomenon successfully for the case of infrared-active vibrational modes which allow dipole coupling between the incident positron and the vibra... |
We experimentally demonstrate electromagnetically induced absorption (EIA) in a vee + ladder system. The experiment is done using the low-lying energy levels of $^{87}$Rb. |
In this work, we report electronic structure calculations aimed at computing the linear optical absorption spectrum, and static dipole polarizablity of a newly proposed boron-based planar aromatic compound borozene (B_12H_6$. For the purpose, we use the semiempirical INDO model Hamiltonian, accompanied by large-scale ... |
We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of the strong relativistic effects. |
In the framework of a simple physical model, we demonstrate the existence of a system of discrete short-lifetime quantum levels for electrons in the potential well of the self-consistent field of charged fullerenes and onion-like structures. For electrons, in the case of positively charged fullerenes and onion-like st... |
We use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including pyrimidines, purines, amino acids, and nucleotides from 10 keV to 10 MeV impact energy. Overall good agreement with experimen... |
Using the evolutionary algorithm USPEX and DFT+U calculations, we predicted a high-symmetry geometric structure of bare Ti8O12 cluster composed of 8 Ti atoms forming a cube, which O atoms are at midpoints of all of its edges, in excellent agreement with experimental results. Using Natural Bond Orbital analysis, Adapti... |
We study the non-equilibrium coherent spin mixing dynamics in ferromagnetic spin-1 and antiferromagnetic spin-2 thermal gases of ultracold $^{87}$Rb atoms. Long lasting spin population oscillations with magnetic field dependent resonances are observed in both cases. |
The random-phase-approximation (RPA) method with separable residual forces (SRPA) is proposed for the description of multipole electric oscillations of valence electrons in deformed alkali metal clusters. Both the deformed mean field and residual interaction are derived self-consistently from the Kohn-Sham functional.... |
We report the stopping of a molecular oxygen beam, using a series of pulsed electromagnetic coils. A series of coils is fired in a timed sequence to bring the molecules to near-rest, where they are detected with a quadrupole mass spectrometer. |
The solvation process of an alkali ion (Na$^+$, K$^+$, Rb$^+$, Cs$^+$) inside a superfluid $^4$He$_{2000}$ nanodroplet is investigated theoretically using liquid $^4$He time-dependent density functional theory at zero temperature. We simulate both steps of the pump-probe experiment conducted on Na$^+$ [Albrechtsen et ... |
Cryogenic cluster beam experiments have provided crucial insights into the evolution of the metallic state from the atom to the bulk. Surprisingly, one of the most fundamental metallic properties, the ability of a metal to efficiently screen electric fields, is still poorly understood in small clusters. |
Considering C$_{60}$ as a model system for describing field emission from the extremity of a carbon nanotip, we explore electron emission from this fullerene excited by an intense, near-infrared, few-cycle laser pulse ($10^{13}$-$10^{14}~{\rm W/cm}^2$, 912 nm, 8-cycle). To this end, we use time-dependent density funct... |
The dynamic polarizabilities of the 4s, 3d and 4p states of Ca$^+$, are calculated using a relativistic structure model. The wavelengths at which the Stark shifts between different pairs of transitions are zero are computed. |
Light-induced energy confinement in nanoclusters via plasmon excitations influences applications in nanophotonics, photocatalysis, and the design of controlled slow electron sources. The resonant decay of these excitations through the cluster's ionization continuum provides a unique probe of the collective electro... |
We investigate from a practitioner's point of view the computation of the ionization potential (IP) within density functional theory (DFT). DFT with (semi-)local energy-density functionals is plagued by a self-interaction error which hampers the computation of IP from the single-particle energy of the highest occu... |
Helium nanodroplets irradiated by intense near-infrared laser pulses ignite and form highly ionized nanoplasmas even at laser intensities where helium is not directly ionized by the optical field, provided the droplets contain a few dopant atoms. We present a combined theoretical and experimental study of the He nanop... |
Relaxation modes are the collective modes in which all probability deviations from equilibrium states decay with the same relaxation rates. In contrast, a first passage time is the required time for arriving for the first time from one state to another. |
A beam of polar molecules can be focused and transported through an ac electric quadrupole guide. At a given ac frequency, the transmission of the guide depends on the mass-to-dipole-moment (m/\textmu) ratio of the molecular quantum state. |
Low-energy orbital magnetic dipole excitations, known as scissors mode (SM), are studied in alkali metal clusters. Subsequent dynamic and static effects are explored. |
We used Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) to investigate the decay of Ne$_2$ after K-shell photoionization. The breakup into Ne$^{1+}$ / Ne$^{2+}$ shows interatomic Coulombic decay (ICD) occurring after a preceding atomic Auger decay. |
The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. |
The desorption dynamics of rubidium dimers (Rb_2) off the surface of helium nanodroplets induced by laser excitation is studied employing both nanosecond and femtosecond ion imaging spectroscopy. Similarly to alkali metal atoms, we find that the Rb_2 desorption process resembles the dissociation of a diatomic molecule... |
Plane-wave electrons undergo momentum transfer as they scatter off a target in overlapping spherical waves. The transferred momentum leads to target structural information to be encoded in angle and energy differential scattering. |
One of the long standing problems in quantum chemistry had been the inability to exploit full spatial and spin symmetry of an electronic Hamiltonian belonging to a non-Abelian point group. Here we present a general technique which can utilize all the symmetries of an electronic (magnetic) Hamiltonian to obtain its ful... |
We analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In the case of simple pulses, the peaks in PES re- flect the occupied single-particle levels in combination with the given ... |
Semi-classical molecular dynamics simulations of small rare gas clusters in short laser pulses of 100 nm wavelength were performed. For comparison, the cluster response to 800 nm laser pulses was investigated as well. |
The extreme ultraviolet plasma emission from liquid microsized argon droplets exposed to intense near-infrared laser pulses has been investigated. Emission from the warm dense matter targets is recorded in a spectral range in between 16 and 30 nm at laser intensities of 10^14 W/cm^2. |
We previously predicted [P.A. Hervieux et al., Phys. Rev. A \textbf{95}, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C$_{60}$ acts like a spherical diffractor inducing resonances in the positronium (Ps) formation as a function of the positron impact energy.... |
The optical properties of a weak probe field in a duplicated two-level system are investigated in multiphoton resonance (MPR) condition and beyond it. It is shown that, by changing the relative phase of applied fields, the absorption switches to the amplification without inversion in MPR condition. |
Numerical simulations are presented to validate the possible use of cutting-edge attosecond time- resolved photoelectron spectroscopy to observe in real time the creation of an electronic wavepacket and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few femtoseconds. |
Energies and spatial observables for the $^1\Sigma_g$ state of the hydrogen molecule in magnetic fields parallel to the proton-proton axis are calculated with a guided random walk Feynman-Kac algorithm. We demonstrate that the accuracy of the results and the simplicity of the method may prove it a viable alternative t... |
Almost ten years ago, energetic neutral hydrogen atoms were detected after a strong-field double ionization of H$_2$. This process, called 'frustrated tunneling ionization', occurs when an ionized electron is recaptured after being driven back to its parent ion by the electric field of a femtosecond laser. |
The ^3He^4He_2 three-atomic system is studied on the basis of a hard-core version of the Faddeev differential equations. The binding energy of the ^3He^4He_2 trimer, scattering phase shifts, and the scattering length of a ^3He atom off a ^4He dimer are calculated using the LM2M2 and TTY He-He interatomic potentials. |
Complete dissociation dynamics of low energy electron attachment to nitrogen dioxide around 8.5 eV resonance has been studied using a velocity map imaging (VMI) spectrometer. Besides the three prominent resonant peaks at around 1.4 eV, 3.1 eV, and 8.5 eV, we have found an additional small resonance at the higher energ... |
We briefly review recent applications of the Regge pole analysis to low-energy E less than/equal to 10.0 eV electron elastic collisions with large multi-electron atoms and fullerene molecules. We then conclude with a demonstration of the sensitivity of the Regge pole-calculated Ramsauer-Townsend minima and shape reson... |
A short range force constant model (SRFCM) has been applied for the first time to investigate the phonons in RMnO3 (R = Pr, Eu, Tb, Dy, Ho) perovskites in their orthorhombic phase. The calculations with 17 stretching and bending force constants provide good agreement for the observed Raman frequencies. |
We report on the Doppler-free saturation spectroscopy of the nitrous oxide (N$_2$O) overtone transition at 1.28~$\mu$m. This measurement is performed by the noise-immune cavity-enhanced optical heterodyne molecular spectroscopy (NICE-OHMS) technique based on the quantum-dot (QD) laser. |
The non-relativistic three-body Schrödinger equation of the heteronuclear molecular ion HD$^+$ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or quasibound states $v=0-3$ are calculated for total orbital momenta from 0 to 47. |
Helium nanodroplets are widely used as a cold, weakly interacting matrix for spectroscopy of embedded species. In this work we excite or ionize doped He droplets using synchrotron radiation and study the effect onto the dopant atoms depending on their location inside the droplets (rare gases) or outside at the droplet... |
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