Atomic and molecular complex resonances from real eigenvalues using standard (hermitian) electronic structure calculations

Complex eigenvalues, resonances, play an important role in large variety of fields in physics and chemistry. For example, in cold molecular collision experiments and electron scattering experiments, autoionizing and pre-dissociative metastable resonances are generated. However, the computation of complex resonance eigenvalues is difficult, since it requires severe modifications of standard electronic structure codes and methods. Here we show how resonance eigenvalues, positions and widths, can be calculated using the standard, widely used, electronic-structure packages. Our method enables the calculations of the complex resonance eigenvalues by using analytical continuation procedures (such as Pad\'{e}). The key point in our approach is the existence of narrow analytical passages from the real axis to the complex energy plane. In fact, the existence of these analytical passages relies on using finite basis sets. These passages become narrower as the basis set becomes more complete, whereas in the exact limit, these passages to the complex plane are closed. As illustrative numerical examples we calculated the autoionization resonances of helium, hydrogen anion and hydrogen molecule. We show that our results are in an excellent agreement with the results obtained by other theoretical methods and with available experimental results

Gravitational wave generation from bubble collisions in first-order phase transitions: an analytic approach

Gravitational wave production from bubble collisions was calculated in the early nineties using numerical simulations. In this paper, we present an alternative analytic estimate, relying on a different treatment of stochasticity. In our approach, we provide a model for the bubble velocity power spectrum, suitable for both detonations and deflagrations. From this, we derive the anisotropic stress and analytically solve the gravitational wave equation. We provide analytical formulae for the peak frequency and the shape of the spectrum which we compare with numerical estimates. In contrast to the previous analysis, we do not work in the envelope approximation. This paper focuses on a particular source of gravitational waves from phase transitions. In a companion article, we will add together the different sources of gravitational wave signals from phase transitions: bubble collisions, turbulence and magnetic fields and discuss the prospects for probing the electroweak phase transition at LISA.Comment: 48 pages, 14 figures. v2 (PRD version): calculation refined; plots redone starting from Fig. 4. Factor 2 in GW energy spectrum corrected. Main conclusions unchanged. v3: Note added at the end of paper to comment on the new results of 0901.166

Gravitational waves from stochastic relativistic sources: primordial turbulence and magnetic fields

The power spectrum of a homogeneous and isotropic stochastic variable, characterized by a finite correlation length, does in general not vanish on scales larger than the correlation scale. If the variable is a divergence free vector field, we demonstrate that its power spectrum is blue on large scales. Accounting for this fact, we compute the gravitational waves induced by an incompressible turbulent fluid and by a causal magnetic field present in the early universe. The gravitational wave power spectra show common features: they are both blue on large scales, and peak at the correlation scale. However, the magnetic field can be treated as a coherent source and it is active for a long time. This results in a very effective conversion of magnetic energy in gravitational wave energy at horizon crossing. Turbulence instead acts as a source for gravitational waves over a time interval much shorter than a Hubble time, and the conversion into gravitational wave energy is much less effective. We also derive a strong constraint on the amplitude of a primordial magnetic field when the correlation length is much smaller than the horizon.Comment: Replaced with revised version accepted for publication in Phys Rev

Pain management during labor

Recent studies investigating the management of analgesia in childbirth have demonstrated that pain relief can be started early in labor with no negative consequences. Also of particular importance are studies showing that automated delivery of large boluses of diluted local anesthetic with opioids might be more effective than continuous background infusion of these drugs in patient-controlled epidural analgesia

The stochastic gravitational wave background from turbulence and magnetic fields generated by a first-order phase transition

We analytically derive the spectrum of gravitational waves due to magneto-hydrodynamical turbulence generated by bubble collisions in a first-order phase transition. In contrast to previous studies, we take into account the fact that turbulence and magnetic fields act as sources of gravitational waves for many Hubble times after the phase transition is completed. This modifies the gravitational wave spectrum at large scales. We also model the initial stirring phase preceding the Kolmogorov cascade, while earlier works assume that the Kolmogorov spectrum sets in instantaneously. The continuity in time of the source is relevant for a correct determination of the peak position of the gravitational wave spectrum. We discuss how the results depend on assumptions about the unequal-time correlation of the source and motivate a realistic choice for it. Our treatment gives a similar peak frequency as previous analyses but the amplitude of the signal is reduced due to the use of a more realistic power spectrum for the magneto-hydrodynamical turbulence. For a strongly first-order electroweak phase transition, the signal is observable with the space interferometer LISA.Comment: 46 pages, 17 figures. Replaced with revised version accepted for publication in JCA

Boost-rotation symmetric type D radiative metrics in Bondi coordinates

The asymptotic properties of the solutions to the Einstein-Maxwell equations with boost-rotation symmetry and Petrov type D are studied. We find series solutions to the pertinent set of equations which are suitable for a late time descriptions in coordinates which are well adapted for the description of the radiative properties of spacetimes (Bondi coordinates). By calculating the total charge, Bondi and NUT mass and the Newman-Penrose constants of the spacetimes we provide a physical interpretation of the free parameters of the solutions. Additional relevant aspects on the asymptotics and radiative properties of the spacetimes considered, such as the possible polarization states of the gravitational and electromagnetic field, are discussed through the way

Conserved superenergy currents

We exploit once again the analogy between the energy-momentum tensor and the so-called ``superenergy'' tensors in order to build conserved currents in the presence of Killing vectors. First of all, we derive the divergence-free property of the gravitational superenergy currents under very general circumstances, even if the superenergy tensor is not divergence-free itself. The associated conserved quantities are explicitly computed for the Reissner-Nordstrom and Schwarzschild solutions. The remaining cases, when the above currents are not conserved, lead to the possibility of an interchange of some superenergy quantities between the gravitational and other physical fields in such a manner that the total, mixed, current may be conserved. Actually, this possibility has been recently proved to hold for the Einstein-Klein-Gordon system of field equations. By using an adequate family of known exact solutions, we present explicit and completely non-obvious examples of such mixed conserved currents.Comment: LaTeX, 19 pages; improved version adding new content to the second section and some minor correction

The Possibilist Transactional Interpretation and Relativity

A recent ontological variant of Cramer's Transactional Interpretation, called "Possibilist Transactional Interpretation" or PTI, is extended to the relativistic domain. The present interpretation clarifies the concept of 'absorption,' which plays a crucial role in TI (and in PTI). In particular, in the relativistic domain, coupling amplitudes between fields are interpreted as amplitudes for the generation of confirmation waves (CW) by a potential absorber in response to offer waves (OW), whereas in the nonrelativistic context CW are taken as generated with certainty. It is pointed out that solving the measurement problem requires venturing into the relativistic domain in which emissions and absorptions take place; nonrelativistic quantum mechanics only applies to quanta considered as 'already in existence' (i.e., 'free quanta'), and therefore cannot fully account for the phenomenon of measurement, in which quanta are tied to sources and sinks.Comment: Final version with some minor corrections as published in Foundations of Physics. This paper has significant overlap with Chapter 6 of my book on the Transactional Interpretation, forthcoming from Cambridge University Press: http://www.cambridge.org/us/knowledge/isbn/item6860644/?site_locale=en_US (Additional preview material is available at rekastner.wordpress.com) Comments welcom

Borrowing strength from clinical trials in analysing longitudinal data from a treated cohort: investigating the effectiveness of acetylcholinesterase inhibitors in the management of dementia

Abstract Background Health care professionals seek information about effectiveness of treatments in patients who would be offered them in routine clinical practice. Electronic medical records (EMRs) and randomized controlled trials (RCTs) can both provide data on treatment effects; however, each data source has limitations when considered in isolation. Methods A novel modelling methodology which incorporates RCT estimates in the analysis of EMR data via informative prior distributions is proposed. A Bayesian mixed modelling approach is used to model outcome trajectories among patients in the EMR dataset receiving the treatment of interest. This model incorporates an estimate of treatment effect based on a meta-analysis of RCTs as an informative prior distribution. This provides a combined estimate of treatment effect based on both data sources. Results The superior performance of the novel combined estimator is demonstrated via a simulation study. The new approach is applied to estimate the effectiveness at 12 months after treatment initiation of acetylcholinesterase inhibitors in the management of the cognitive symptoms of dementia in terms of Mini-Mental State Examination scores. This demonstrated that estimates based on either trials data only (1.10, SE = 0.316) or cohort data only (1.56, SE = 0.240) overestimated this compared with the estimate using data from both sources (0.86, SE = 0.327). Conclusions It is possible to combine data from EMRs and RCTs in order to provide better estimates of treatment effectiveness. </jats:sec

Chiral molecule candidates for trapped ion spectroscopy by ab-initio calculations: from state preparation to parity violation

Parity non-conservation (PNC) due to the weak interaction is predicted to give rise to enantiomer dependent vibrational constants in chiral molecules, but the phenomenon has so far eluded experimental observation. The enhanced sensitivity of molecules to physics beyond the Standard Model (BSM), has led to substantial advances in molecular precision spectroscopy, and these may be applied to PNC searches as well. Specifically, trapped molecular ion experiments leverage the universality of trapping charged particles to optimize the molecular ion species studied toward BSM searches, but in searches for PNC only a few chiral molecular ion candidates have been proposed so far. Importantly, viable candidates need to be internally cold and their internal state populations should be detectable with high quantum efficiency. To this end, we focus on molecular ions that can be created by near threshold resonant two-photon ionization and detected via state-selective photo-dissociation. Such candidates need to be stable in both charged and neutral chiral versions to be amenable to these methods. Here, we present a collection of suitable chiral molecular ion candidates we have found, including CHDBrI$^+$ and CHCaBrI$^+$, that fulfill these conditions according to our \textit{ab-initio} calculations. We find that organo-metallic species have a low ionization energy as neutrals and relatively high dissociation thresholds. Finally, we compute the magnitude of the PNC values for vibrational transitions for some of these candidates. An experimental demonstration of state preparation and readout for these candidates will be an important milestone toward measuring PNC in chiral molecules for the first time.Comment: 14 pages, 3 figures and supplementary informatio