Tunneling Ionization Rates from Arbitrary Potential Wells

We present a practical numerical technique for calculating tunneling ionization rates from arbitrary 1-D potential wells in the presence of a linear external potential by determining the widths of the resonances in the spectral density, rho(E), adiabatically connected to the field-free bound states. While this technique applies to more general external potentials, we focus on the ionization of electrons from atoms and molecules by DC electric fields, as this has an important and immediate impact on the understanding of the multiphoton ionization of molecules in strong laser fields.Comment: 13 pages, 7 figures, LaTe

Broadband laser cooling of trapped atoms with ultrafast pulses

We demonstrate broadband laser cooling of atomic ions in an rf trap using ultrafast pulses from a modelocked laser. The temperature of a single ion is measured by observing the size of a time-averaged image of the ion in the known harmonic trap potential. While the lowest observed temperature was only about 1 K, this method efficiently cools very hot atoms and can sufficiently localize trapped atoms to produce near diffraction-limited atomic images

Slow Light in Doppler Broadened Two level Systems

We show that the propagation of light in a Doppler broadened medium can be slowed down considerably eventhough such medium exhibits very flat dispersion. The slowing down is achieved by the application of a saturating counter propagating beam that produces a hole in the inhomogeneous line shape. In atomic vapors, we calculate group indices of the order of 10^3. The calculations include all coherence effects.Comment: 6 pages, 5 figure

Beyond Implications and Applications: the Story of ‘Safety by Design’

Using long-term anthropological observations at the Center for Biological and Environmental Nanotechnology in Houston, Texas, the article demonstrates in detail the creation of new objects, new venues and new modes of veridiction which have reoriented the disciplines of materials chemistry and nanotoxicology. Beginning with the confusion surrounding the meaning of ‘implications’ and ‘applications’ the article explores the creation of new venues (CBEN and its offshoot the International Council on Nanotechnology); it then demonstrates how the demands for a responsible, safe or ethical science were translated into new research and experiment in and through these venues. Finally it shows how ‘safety by design’ emerged as a way to go beyond implications and applications, even as it introduced a whole new array of controversies concerning its viability, validity and legitimacy

Resonant enhancements of high-order harmonic generation

Solving the one-dimensional time-dependent Schr\"odinger equation for simple model potentials, we investigate resonance-enhanced high-order harmonic generation, with emphasis on the physical mechanism of the enhancement. By truncating a long-range potential, we investigate the significance of the long-range tail, the Rydberg series, and the existence of highly excited states for the enhancements in question. We conclude that the channel closings typical of a short-range or zero-range potential are capable of generating essentially the same effects.Comment: 7 pages revtex, 4 figures (ps files

Extreme ultraviolet interferometry measurements with high-order harmonics

We demonstrate that high-order harmonics generated by short, intense laser pulses in gases provide an interesting radiation source for extreme ultraviolet interferometry, since they are tunable, coherent, of short pulse duration, and simple to manipulate. Harmonics from the 9th to the 15th are used to measure the thickness of an aluminum layer. The 11th harmonic is used to determine the spatial distribution of the electron density of a plasma produced by a 300-ps laser. Electronic densities higher than 2-10(20) electrons/cm(3) are measured. (C) 2000 Optical Society of America. OCIS codes: 190.0190, 190.4160, 190.7110, 120.3180, 140.7240, 350.4500

Predicting toxicity through computers: a changing world

The computational approaches used to predict toxicity are evolving rapidly, a process hastened on by the emergence of new ways of describing chemical information. Although this trend offers many opportunities, new regulations, such as the European Community's 'Registration, Evaluation, Authorisation and Restriction of Chemicals' (REACH), demand that models be ever more robust

Time-dependent calculation of ionization in Potassium at mid-infrared wavelengths

We study the dynamics of the Potassium atom in the mid-infrared, high intensity, short laser pulse regime. We ascertain numerical convergence by comparing the results obtained by the direct expansion of the time-dependent Schroedinger equation onto B-Splines, to those obtained by the eigenbasis expansion method. We present ionization curves in the 12-, 13-, and 14-photon ionization range for Potassium. The ionization curve of a scaled system, namely Hydrogen starting from the 2s, is compared to the 12-photon results. In the 13-photon regime, a dynamic resonance is found and analyzed in some detail. The results for all wavelengths and intensities, including Hydrogen, display a clear plateau in the peak-heights of the low energy part of the Above Threshold Ionization (ATI) spectrum, which scales with the ponderomotive energy Up, and extends to 2.8 +- 0.5 Up.Comment: 15 two-column pages with 15 figures, 3 tables. Accepted for publication in Phys. Rev A. Improved figures, language and punctuation, and made minor corrections. We also added a comparison to the ADK theor

Characterisation of data resources for in silico modelling: benchmark datasets for ADME properties.

Introduction: The cost of in vivo and in vitro screening of ADME properties of compounds has motivated efforts to develop a range of in silico models. At the heart of the development of any computational model are the data; high quality data are essential for developing robust and accurate models. The characteristics of a dataset, such as its availability, size, format and type of chemical identifiers used, influence the modelability of the data. Areas covered: This review explores the usefulness of publicly available ADME datasets for researchers to use in the development of predictive models. More than 140 ADME datasets were collated from publicly available resources and the modelability of 31selected datasets were assessed using specific criteria derived in this study. Expert opinion: Publicly available datasets differ significantly in information content and presentation. From a modelling perspective, datasets should be of adequate size, available in a user-friendly format with all chemical structures associated with one or more chemical identifiers suitable for automated processing (e.g. CAS number, SMILES string or InChIKey). Recommendations for assessing dataset suitability for modelling and publishing data in an appropriate format are discussed