J F McCann

Ionisation of atoms by ion impact

Total cross sections are calculated for the ionisation of a hydrogen atom by multicharged fully-stripped ions in the 20-1000 keV amu-1 impact energy range. Distortion is accounted for in the entrance channel (via the eikonal approximation) and in the exit channel (via the continuum distorted-wave approximation). The transition amplitude is calculated in the post form so that the electronic nonorthogonal kinetic energy is treated as the perturbation. It is concluded that of the currently available models this theory is the most successful and versatile over a considerable range of energies and charges. Specifically for ionisation of a hydrogen atom by 50 keV protons the authors present doubly differential cross sections for electrons ejected in the forward direction and singly differential cross sections as a function of emission energy. The question of cusps and peaks in the differential cross sections is considered as is the question of charged scaling of the total cross section.

Vortex shedding and drag in dilute Bose-Einstein condensates

Above a critical velocity, the dominant mechanism of energy transfer between a moving object and a dilute Bose-Einstein condensate is vortex formation. In this paper, we discuss the critical velocity for vortex formation and the link between vortex shedding and drag in both homogeneous and inhomogeneous condensates. We find that at supersonic velocities sound radiation also contributes significantly to the drag force.

Ionization dynamics of laser-driven H2+

We set out aspects of a numerical algorithm used in solving the full-dimensionality time-dependent Schrodinger equation describing the electronic motion of the hydrogen molecular ion driven by an intense, linearly polarized laser pulse aligned along the molecular axis. This algorithm has been implemented within the fixed inter-nuclear separation approximation in a parallel computer code, a brief summary of which is given. Ionization rates are calculated and compared with results from other methods, notably the time-independent Floquet method. Our results compare very favourably with the precise predictions of the Floquet method, although there is some disagreement with other wavepacket calculations. Visualizations of the electron dynamics are also presented in which electron rescattering is observed.

Multi-pulse scheme for enhancing electron localization through vibrational wavepacket manipulation

A novel scheme for enhancing electron localization in intense-field dissociation is outlined. Through manipulation of a bound vibrational wavepacket in the exemplar deuterium molecular ion, simulations demonstrate that the application of multiple phase-locked, few-cycle IR pulses can provide a powerful scheme for directing the molecular dissociation pathway. By tuning the time delay and carrier–envelope–phase for a sequence of pulse interactions, the probability of the electron being localized to a chosen nucleus can be enhanced to above 80%.

Dissociation of H+2 from a short, intense, infrared laser pulse : proton emission spectra and pulse calibration

The proton energy spectrum from photodissociation of the hydrogen molecular ion by short intense pulses of infrared light is calculated. The time-dependent Schrodinger equation is discretized and integrated. For few-cycle pulses one can resolve vibrational structure, arising from the experimental preparation of the molecular ion. We calculate the corresponding energy spectrum and analyse the dependence on the pulse time delay, pulse length and intensity of the laser for λ ~ 790 nm. We conclude that the proton spectrum is a sensitive probe of both the vibrational populations and phases, and allows us to distinguish between adiabatic and nonadiabatic dissociation. Furthermore, the sensitivity of the proton spectrum from H+2 is a practical means of calibrating the pulse. Our results are compared with recent measurements of the proton spectrum for 65 fs pulses using a Ti:Sapphire laser (λ ~ 790 nm) including molecular orientation and focal-volume averaging. Integrating over the laser focal volume, for the intensity I ~ 3 × 1015 W cm−2, we find our results are in excellent agreement with these experiments.The dissociation spectrum of the hydrogen molecular ion by s hort intense pulses of infrared light is calculated. The time-dependent Schrö dinger equation is discretized and integrated in position and momentum space. For few-cycle pu lses one can resolve vibrational structure that commonly arises in the experimental prepara tion of the molecular ion from the neutral molecule. We calculate the corresponding energ y spectrum and analyze the dependence on the pulse time-delay, pulse length, and inten s ty of the laser forλ ∼ 790nm. We conclude that the proton spectrum is a both a sensitive pro be of the vibrational dynamics and the laser pulse. Finally we compare our results with rece nt measurements of the proton spectrum for 55 fs pulses using a Ti:Sapphire laser ( λ ∼ 790nm). Integrating over the laser focal volume, for the intensityI ∼ 3 × 10W cm, we find our results are in excellent agreement with these experiments. To be submitted to J. Phys. B

Ultrafast coherent control and quantum encoding of molecular vibrations in D2+ using intense laser pulses

Intense, few-femtosecond pulse technology has enabled studies of the fastest vibrational relaxation processes. The hydrogen group vibrations can be imaged and manipulated using intense infrared pulses. Through numerical simulation, we demonstrate an example of ultrafast coherent control that could be effected with current experimental facilities, and observed using high-resolution time-of-flight spectroscopy. The proposal is a pump-probe-type technique to manipulate the D2+ ion with ultrashort pulse sequences. The simulations presented show that vibrational selection can be achieved through pulse delay. We find that the vibrational system can be purified to a two-level system thus realizing a vibrational qubit. A novel scheme for the selective transfer of population between these two levels, based on a Raman process and conditioned upon the delay time of a second control-pulse is outlined, and may enable quantum encoding with this system.

A discrete time-dependent method for metastable atoms and molecules in intense fields

The full-dimensional time-dependent Schrödinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange mesh methods. The method is applied to calculate the quasienergies and ionization probabilities of atomic and molecular systems in intense static and dynamic electric fields. The gauge invariance and accuracy of the method is established. Applications to multiphoton ionization of positronium, the hydrogen atom and the hydrogen molecular ion are presented. At very high laser intensity, above the saturation threshold, we extend the method using a scaling technique to estimate the quasienergies of metastable states of the hydrogen molecular ion. The results are in good agreement with recent experiments.

Dynamic tunnelling ionization of H2+ in intense fields

Intense-field ionization of the hydrogen molecular ion by linearly polarized light is modelled by direct solution of the fixed-nuclei time-dependent Schrodinger equation and compared with recent experiments. Parallel transitions are calculated using algorithms which exploit massively parallel computers. We identify and calculate dynamic tunnelling ionization resonances that depend on laser wavelength and intensity, and molecular bond length. Results for λ ~ 1064 nm are consistent with static tunnelling ionization. At shorter wavelengths λ ~ 790 nm large dynamic corrections are observed. The results agree very well with recent experimental measurements of the ion spectra. Our results reproduce the single peak resonance and provide accurate ionization rate estimates at high intensities. At lower intensities our results confirm a double peak in the ionization rate as the bond length varies.

Isolated vibrational wavepackets in D 2 + : Defining superposition conditions and wavepacket distinguishability

Tunnel ionization of room-temperature D{sub 2} in an ultrashort (12 femtosecond) near infrared (800 nm) pump laser pulse excites a vibrational wavepacket in the D{sub 2}{sup +} ions; a rotational wavepacket is also excited in residual D{sub 2} molecules. Both wavepacket types are collapsed a variable time later by an ultrashort probe pulse. We isolate the vibrational wavepacket and quantify its evolution dynamics through theoretical comparison. Requirements for quantum computation (initial coherence and quantum state retrieval) are studied using this well-defined (small number of initial states at room temperature, initial wavepacket spatially localized) single-electron molecular prototype by temporally stretching the pump and probe pulses.

Ultracold, radiative charge transfer in hybrid Yb ion-Rb atom traps

Ultracold hybrid ion–atom traps offer the possibility of microscopic manipulation of quantum coherences in the gas using the ion as a probe. However, inelastic processes, particularly charge transfer can be a significant process of ion loss and has been measured experimentally for the + Yb ion immersed in a Rb vapour. We use first-principles quantum chemistry codes to obtain the potential energy curves and dipole moments for the lowest-lying energy states of this complex. Calculations for the radiative decay processes cross sections and rate coefficients are presented for the total decay processes; ν +→ + + ++