Vibrational Fano resonances in dipole-bound anions

Stephen T. Edwards, Mark A. Johnson, and John C. Tully

Using photodetachment mass spectrometry, vibrational spectra of gas-phase negative ions and negative ion clusters can be obtained. However, asymmetric line shapes can also result and this paper details a theoretical model to understand and predict the phase and extent of asymmetry.

J. Chem. Phys. 136, 154305 (2012)

Soft repulsive mixtures under gravity: Brazil-nut effect, depletion bubbles, boundary layering, nonequilibrium shaking

Tobias Kruppa, Tim Neuhaus, René Messina, and Hartmut Löwen

The processes of mixing and demixing under settling are still uncertain. The authors consider a binary mixture of particles interacting through long-ranged repulsive forces in gravity by using Monte Carlo and Brownian dynamics computer simulation and mean-field density functional theory to predict the equilibrium density profiles and the nonequilibrium response of the system to oscillatory gravity.

J. Chem. Phys. 136, 134106 (2012)

Dual-etalon frequency-comb cavity ringdown spectrometer

David W. Chandler and Kevin E. Strecker

The authors describe their dual-etalon frequency-comb cavity ringdown spectrometer, which uses a traditional laser light source to generate spectra from a single laser pulse and is capable of recording a spectrum having 300 MHz frequency resolution over the 3 GHz bandwidth of the laser pulse. This apparatus should be useful for high resolution absorption and fluorescence spectroscopy as well as time-resolved, multi-spectral, imaging studies.

J. Chem. Phys. 136, 154201 (2012)

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Perspective on density functional theory

Kieron Burke

Density functional theory (DFT) is a low cost and useful tool for most areas of chemistry and materials science. This paper details the recent progress and ongoing challenges of the technique.

J. Chem. Phys. 136, 150901 (2012)

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Multistage Zeeman deceleration of metastable neon

Alex W. Wiederkehr, Michael Motsch, Stephen D. Hogan, Markus Andrist, Hansjürg Schmutz, Bruno Lambillotte, Josef A. Agner, and Frédéric Merkt

Using a multistage Zeeman decelerator, a supersonic beam of atoms or molecules can be decelerated such that the sample has complete state selectivity and complete angular momentum orientation. Samples produced by multistage Zeeman deceleration can be used in the study of reaction dynamics at low temperatures, in precision spectroscopy, and as starting point for further cooling steps.

J. Chem. Phys. 135, 214202 (2011)

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