Mechanism of Molecular Orientation by Single-cycle Pulses

Significant molecular orientation can be achieved by time-symmetric single-cycle pulses of zero area, in the THz region. We show that in spite of the existence of a combined time-space symmetry operation, not only large peak instantaneous orientations but also nonzero time-average orientations over a rotational period can be obtained. We show that this unexpected phenomenon is due to interferences among eigenstates of the time-evolution operator, as was described previously for transport phenomena in quantum ratchets. This mechanism also works for sequences of identical pulses, spanning a rotational period. This fact can be used to obtain a net average molecular orientation regardless of the magnitude of the rotational constant.Comment: Published version may be found at (URL:http://link.aip.org/link?/JCP/137/044303). Substantial changes with respect to previous versions, including new titl

Directional States of Symmetric-Top Molecules Produced by Combined Static and Radiative Electric Fields

We show that combined electrostatic and radiative fields can greatly amplify the directional properties, such as axis orientation and alignment, of symmetric top molecules. In our computational study, we consider all four symmetry combinations of the prolate and oblate inertia and polarizability tensors, as well as the collinear and perpendicular (or tilted) geometries of the two fields. In, respectively, the collinear or perpendicular fields, the oblate or prolate polarizability interaction due to the radiative field forces the permanent dipole into alignment with the static field. Two mechanisms are found to be responsible for the amplification of the molecules' orientation, which ensues once the static field is turned on: (a) permanent-dipole coupling of the opposite-parity tunneling doublets created by the oblate polarizability interaction in collinear static and radiative fields; (b) hybridization of the opposite parity states via the polarizability interaction and their coupling by the permanent dipole interaction to the collinear or perpendicular static field. In perpendicular fields, the oblate polarizability interaction, along with the loss of cylindrical symmetry, is found to preclude the wrong-way orientation, causing all states to become high-field seeking with respect to the static field. The adiabatic labels of the states in the tilted fields depend on the adiabatic path taken through the parameter space comprised of the permanent and induced-dipole interaction parameters and the tilt angle between the two field vectors

Improved Spin Dynamics Simulations of Magnetic Excitations

Using Suzuki-Trotter decompositions of exponential operators we describe new algorithms for the numerical integration of the equations of motion for classical spin systems. These techniques conserve spin length exactly and, in special cases, also conserve the energy and maintain time reversibility. We investigate integration schemes of up to eighth order and show that these new algorithms can be used with much larger time steps than a well established predictor-corrector method. These methods may lead to a substantial speedup of spin dynamics simulations, however, the choice of which order method to use is not always straightforward.Comment: J. Mod. Phys. C (in press

Film Review: Narco Cultura – A Tale of Three Cities

This is a film review

The Las Campanas Infra-red Survey. V. Keck Spectroscopy of a large sample of Extremely Red Objects

(Abridged) We present deep Keck spectroscopy, using the DEIMOS and LRIS spectrographs, of a large and representative sample of 67 ``Extremely Red Objects'' (EROs) to H=20.5, with I-H>3.0, in three of the Las Campanas Infrared Survey fields. Spectroscopic redshifts are determined for 44 sources, of which only two are contaminating low mass stars. When allowance is made for incompleteness, the spectroscopic redshift distribution closely matches that predicted earlier on the basis of photometric data. Our spectra are of sufficient quality that we can address the important question of the nature and homogeneity of the z>0.8 ERO population. A dominant old stellar population is inferred for 75% of our spectroscopic sample; a higher fraction than that seen in smaller, less-complete samples with broader photometric selection criteria (e.g. R-K). However, only 28% have spectra with no evidence of recent star formation activity, such as would be expected for a strictly passively-evolving population. More than ~30% of our absorption line spectra are of the `E+A' type with prominent Balmer absorption consistent, on average, with mass growth of 5-15% in the past Gyr. We use our spectroscopic redshifts to improve earlier estimates of the spatial clustering of this population as well as to understand the significant field-to-field variation. Our spectroscopy enables us to pinpoint a filamentary structure at z=1.22 in the Chandra Deep Field South. Overall, our study suggests that the bulk of the ERO population is an established population of clustered massive galaxies undergoing intermittent activity consistent with continued growth over the redshift interval 0.8<z<1.6.Comment: 27 pages, including 14 figures and appendix of spectra (at low resolution). Full resolution paper can be found at http://www.ast.cam.ac.uk/~md . To appear in MNRA

The Social Security Cost of Smoking

Our paper is an examination of the Social Security cost of smoking from an individual point of view. It is well known that smokers have a shorter life expectancy than nonsmokers. This means that by smoking they are giving up potential Social Security benefits. We estimate this cost and consider the effects on the system as a whole. We use mortality ratios, which relate the annual death probabilities of smokers and nonsmokers, and the percentage of smokers in each age group to break down the life tables for men and women born in 1920 into the approximate life tables for smokers and nonsmokers. We then calculate expected Social Security taxes and benefits for each group, using median earnings as a base. We find that smoking costs men about $20,000 and women about$10,000 in expected net benefits. The implication of this for the system as a whole is that the prevalence of smoking has a direct effect on the financial viability of the system; every decrease in the number of smokers in society increases the system's liability. Changes in smoking behavior should be recognized as affecting the system.

Full dimensional (15D) quantum-dynamical simulation of the protonated water-dimer I: Hamiltonian setup and analysis of the ground vibrational state

Quantum-dynamical full-dimensional (15D) calculations are reported for the protonated water dimer (H5O2+) using the multiconfiguration time-dependent Hartree (MCTDH) method. The dynamics is described by curvilinear coordinates. The expression of the kinetic energy operator in this set of coordinates is given and its derivation, following the polyspherical method, is discussed. The PES employed is that of Huang et al. [JCP, 122, 044308, (2005)]. A scheme for the representation of the potential energy surface (PES) is discussed which is based on a high dimensional model representation scheme (cut-HDMR), but modified to take advantage of the mode-combination representation of the vibrational wavefunction used in MCTDH. The convergence of the PES expansion used is quantified and evidence is provided that it correctly reproduces the reference PES at least for the range of energies of interest. The reported zero point energy of the system is converged with respect to the MCTDH expansion and in excellent agreement (16.7 cm-1 below) with the diffusion Monte Carlo result on the PES of Huang et al. The highly fluxional nature of the cation is accounted for through use of curvilinear coordinates. The system is found to interconvert between equivalent minima through wagging and internal rotation motions already when in the ground vibrational-state, i.e., T=0. It is shown that a converged quantum-dynamical description of such a flexible, multi-minima system is possible.Comment: 46 pages, 5 figures, submitted to J. Chem. Phy