Doppler cooling of gallium atoms: 2. Simulation in complex multilevel systems

This paper derives a general procedure for the numerical solution of the Lindblad equations that govern the coherences arising from multicoloured light interacting with a multilevel system. A systematic approach to finding the conservative and dissipative terms is derived and applied to the laser cooling of p-block elements. An improved numerical method is developed to solve the time-dependent master equation and results are presented for transient cooling processes. The method is significantly more robust, efficient and accurate than the standard method and can be applied to a broad range of atomic and molecular systems. Radiation pressure forces and the formation of dynamic dark states are studied in the gallium isotope 66Ga.

Electron shell contributions to gamma-ray spectra of positron annihilation in noble gases

Gamma-ray positron annihilation spectra of the noble gases are simulated using computational chemistry tools for the bound electron wavefunctions and plane-wave approximation for the low-energy positron. The present annihilation line shapes, i.e. the full width at half maximum, Delta epsilon, of the gamma-ray annihilation spectra for He and Ar (valence) agree well with available independent atomic calculations using a different algorithm. For other noble gases they achieve moderate agreement with the experimental measurements. It is found that the contributions of various atomic electron shells to the spectra depend significantly on their principal quantum number n and orbital angular momentum quantum number l. The present study further reveals that the outermost ns electrons of the noble gases exhibit spectral line shapes in close agreement with those measured, indicating (as expected) that the measurements are not due to a simple sum over the momentum densities for all atomic electrons. The robust nature of the present approach makes it possible for us to proceed to more complex molecular systems using the tools of modern computational chemistry.

Many-body theory of gamma spectra from positron-atom annihilation

A many-body theory approach to the calculation of gamma spectra of positron annihilation on many-electron atoms is developed. We evaluate the first-order correlation correction to the annihilation vertex and perform numerical calculations for the noble gas atoms. Extrapolation with respect to the maximal orbital momentum of the intermediate electron and positron states is used to achieve convergence. The inclusion of correlation corrections improves agreement with experimental gamma spectra.

Photo-double detachment from the F- ion

The correlated process of photodetaching two electrons from the F- ion following the absorption of a single photon has been investigated over an energy range 20-62 eV. In the experiment, a beam of photons from the Advanced Light Source was collinearly merged with a counter-propagating beam of F- ions from a sputter ion source. The F+ ions produced in the interaction region were detected, and the normalized signal was used to monitor the relative cross section for the double-detachment reaction. An absolute scale for the cross section was established by measuring the spatial overlap of the two beams and by determining the efficiency for collection and detection of the F+ ions. The measured cross section is compared with R-matrix and random phase approximation calculations. These calculations show that the Auger decay of the 2s2p(6) core-excited state of the F atom plays a minor role in the production of F+ ions and that double detachment is likely to be dominated by simultaneous correlated ejection of two valence electrons at energies well above threshold.

Three-photon detachment of electrons from the fluorine negative ion

Absolute three-photon detachment cross sections are calculated for the fluorine negative ion within the lowest-order perturbation theory. The Dyson equation of the atomic many-body theory is used to obtain the ground-state 2p wavefunction with correct asymptotic behaviour, corresponding to the true (experimental) binding energy. We show that in accordance with the adiabatic theory this is crucial for obtaining absolute values of the multiphoton cross sections. Comparisons with other calculations and experimental data are presented.

Eigenvalues of the time-delay matrix in overlapping resonances

We discuss the properties of the lifetime or the time-delay matrix Q(E) for multichannel scattering, which is related to the scattering matrix S(E) by Q = i?S(dS†/dE). For two overlapping resonances occurring at energies E with widths G(? = 1, 2), with an energy-independent background, only two eigenvalues of Q(E) are proved to be different from zero and to show typical avoided-crossing behaviour. These eigenvalues are expressible in terms of the four resonance parameters (E , G) and a parameter representing the strength of the interaction of the resonances. An example of the strong and weak interaction in an overlapping double resonance is presented for the positronium negative ion. When more than two resonances overlap (? = 1, ..., N), no simple representation of each eigenvalue has been found. However, the formula for the trace of the Q-matrix leads to the expression d(E) = -?arctan[(G/2)/(E - E)] + d(E) for the eigenphase sum d(E) and the background eigenphase sum d(E), in agreement with the known form of the state density. The formulae presented in this paper are useful in a parameter fitting of overlapping resonances. © 2006 IOP Publishing Ltd.

Ab initio potentials of F + Li-2 accessible at ultracold temperatures

Ab initio calculations for the strongly exoergic Li-2 + F harpoon reaction are presented using density-functional theory, complete active space self-consistent field, and multireference configuration interaction methods to argue that this reaction would be an ideal candidate for investigation with ultracold molecules. The lowest six states are calculated with the aug-correlation-consistent polarized valence triple-zeta basis set and at least two can be accessed by a ground rovibronic Li-2 molecule with zero collision energy at all reaction geometries. The large reactive cross section (characteristic of harpoon reactions) and chemiluminescent products are additional attractive features of these reactions.

Ultra-fast spin dynamics in the 2s2p^2 configuration of C^+ studied by time-dependent R-matrix theory

We employ time-dependent R-matrix theory to study ultra-fast dynamics in the doublet 2s2p(2) configuration of C+ for a total magnetic quantum number M = 1. In contrast to the dynamics observed for M = 0, ultra-fast dynamics for M = 1 is governed by spin dynamics in which the 2s electron acts as a flag rather than a spectator electron. Under the assumption that m(S) = 1/2, m(2s) = 1/2 allows spin dynamics involving the two 2p electrons, whereas m(2s) = -1/2 prevents spin dynamics of the two 2p electrons. For a pump-probe pulse scheme with (h) over bar omega(pump) = 10.9 eV and (h) over bar omega(probe) = 16.3 eV and both pulses six cycles long, little sign of spin dynamics is observed in the total ionization probability. Signs of spin dynamics can be observed, however, in the ejected-electron momentum distributions. We demonstrate that the ejected-electron momentum distributions can be used for unaligned targets to separate the contributions of initial M = 0 and M = 1 levels. This would, in principle, allow unaligned target ions to be used to obtain information on the different dynamics in the 2s2p(2) configuration for the M = 0 and M = 1 levels from a single experime

Application of a picosecond laser plasma continuum light source to a dual-laser plasma photoabsorption experiment

The characteristics of an extreme-ultraviolet (XUV) continuum light source and its application to a dual-laser plasma (DLP) photoabsorption experiment are described. The continuum emitting plasma was formed by focusing a 7 ps, 248 nm, 15 mJ laser pulse onto a number of selected targets known to be good XUV continuum emitters (Sm, W, Au and Pb), while the second absorbing plasma was produced by a 15 ns, 1064 nm, 300 mi pulse. The duration of the continuum emission for these plasmas has a mean value of similar to 150 ps, but depends on both the target material and the picosecond laser pulse energy. Using this picosecond DLP set-up we have been able to measure the photoabsorption spectrum of an actinide ion (thorium) for the first time.