Quasi-classical rate coefficient calculations for the rotational (de)excitation of H2O by H2

The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of H2O by H2 molecules is the process of most interest in interstellar space. To determine rate coefficients for rotational de-excitation among the lowest 45 para and 45 ortho rotational levels of H2O colliding with both para and ortho-H2 in the temperature range 20-2000 K. Rate coefficients are calculated on a recent high-accuracy H2O-H2 potential energy surface using quasi-classical trajectory calculations. Trajectories are sampled by a canonical Monte-Carlo procedure. H2 molecules are assumed to be rotationally thermalized at the kinetic temperature. By comparison with quantum calculations available for low lying levels, classical rates are found to be accurate within a factor of 1-3 for the dominant transitions, that is those with rates larger than a few 10^{-12}cm^{3}s^{-1}. Large velocity gradient modelling shows that the new rates have a significant impact on emission line fluxes and that they should be adopted in any detailed population model of water in warm and hot environments.Comment: 8 pages, 2 figures, 1 table (the online material (4 tables) can be obtained upon request to [email protected]

Collisional excitation of water by hydrogen atoms

We present quantum dynamical calculations that describe the rotational excitation of H$_2$O due to collisions with H atoms. We used a recent, high accuracy potential energy surface, and solved the collisional dynamics with the close-coupling formalism, for total energies up to 12 000 cm$^{-1}$. From these calculations, we obtained collisional rate coefficients for the first 45 energy levels of both ortho- and para-H$_2$O and for temperatures in the range T = 5-1500 K. These rate coefficients are subsequently compared to the values previously published for the H$_2$O / He and H$_2$O / H$_2$ collisional systems. It is shown that no simple relation exists between the three systems and that specific calculations are thus mandatory

Rotational Excitation of HC_3N by H_2 and He at low temperatures

Rates for rotational excitation of HC3N by collisions with He atoms and H2 molecules are computed for kinetic temperatures in the range 5-20K and 5-100K, respectively. These rates are obtained from extensive quantum and quasi-classical calculations using new accurate potential energy surfaces (PES)

Upper bound on the density of Ruelle resonances for Anosov flows

Using a semiclassical approach we show that the spectrum of a smooth Anosov vector field V on a compact manifold is discrete (in suitable anisotropic Sobolev spaces) and then we provide an upper bound for the density of eigenvalues of the operator (-i)V, called Ruelle resonances, close to the real axis and for large real parts.Comment: 57 page

South America: a reservoir of continental carbon - first estimate of changes since 18,000 yr BP

By using geographic and palaeogeographic sketches established for the present situation (before recent deforestation) and for the glacial maximum (about 15,000-18,000 BP) we can estimate the possible total biomass (phytomass) of the South American continent. According to the biomass density used in this first estimate for ten major ecosystems, the results show a possible increase from 140 Gt of carbon (glacial maximum) to 214 Gt C (preindustrial) for the phytomass, and 120 to 180 Gt C for the soils. These preliminary results are possibly only a 60 or 70 percent approximate estimate and could be modified with computation using other palaeogeographic models or another biomass density. It is therefore to underline the urgent need of more field biomass measurements, ecosystems mappings, and palaeostudies to evaluate the part of South America as a future possible sink for the atmospheric carbon dioxide. The Amazonian forest makes of South America an important continental reservoir of carbon for the planet Earth. This continent represents consequently a key zone for the research and knowledge of changes in the biogeochemical cycle of carbon. In order to evaluate more precisely the role it plays we estimated the approximate quantities of carbon in the total phytomass and the carbon in soils for each of the ecosystems represented in Figure 1, both for Present and Last Glacial Maximum landscapes

Collisional excitation of doubly and triply deuterated ammonia ND2_2H and ND3_3 by H2_2

The availability of collisional rate coefficients is a prerequisite for an accurate interpretation of astrophysical observations, since the observed media often harbour densities where molecules are populated under non--LTE conditions. In the current study, we present calculations of rate coefficients suitable to describe the various spin isomers of multiply deuterated ammonia, namely the ND$_2$H and ND$_3$ isotopologues. These calculations are based on the most accurate NH$_3$--H$_2$ potential energy surface available, which has been modified to describe the geometrical changes induced by the nuclear substitutions. The dynamical calculations are performed within the close--coupling formalism and are carried out in order to provide rate coefficients up to a temperature of $T$ = 50K. For the various isotopologues/symmetries, we provide rate coefficients for the energy levels below $\sim$ 100 cm$^{-1}$. Subsequently, these new rate coefficients are used in astrophysical models aimed at reproducing the NH$_2$D, ND$_2$H and ND$_3$ observations previously reported towards the prestellar cores B1b and 16293E. We thus update the estimates of the corresponding column densities and find a reasonable agreement with the previous models. In particular, the ortho--to--para ratios of NH$_2$D and NHD$_2$ are found to be consistent with the statistical ratios

High-energy acceleration phenomena in extreme radiation-plasma interactions

We simulate, using a particle-in-cell code, the chain of acceleration processes at work during the Compton-based interaction of a dilute electron-ion plasma with an extreme-intensity, incoherent gamma-ray flux with a photon density several orders of magnitude above the particle density. The plasma electrons are initially accelerated in the radiative flux direction through Compton scattering. In turn, the charge-separation field from the induced current drives forward the plasma ions to near-relativistic speed and accelerates backwards the non-scattered electrons to energies easily exceeding those of the driving photons. The dynamics of those energized electrons is determined by the interplay of electrostatic acceleration, bulk plasma motion, inverse Compton scattering and deflections off the mobile magnetic fluctuations generated by a Weibel-type instability. The latter Fermi-like effect notably gives rise to a forward-directed suprathermal electron tail. We provide simple analytical descriptions for most of those phenomena and examine numerically their sensitivity to the parameters of the problem

Two-Qubit Separability Probabilities and Beta Functions

Due to recent important work of Zyczkowski and Sommers (quant-ph/0302197 and quant-ph/0304041), exact formulas are available (both in terms of the Hilbert-Schmidt and Bures metrics) for the (n^2-1)-dimensional and (n(n-1)/2-1)-dimensional volumes of the complex and real n x n density matrices. However, no comparable formulas are available for the volumes (and, hence, probabilities) of various separable subsets of them. We seek to clarify this situation for the Hilbert-Schmidt metric for the simplest possible case of n=4, that is, the two-qubit systems. Making use of the density matrix (rho) parameterization of Bloore (J. Phys. A 9, 2059 [1976]), we are able to reduce each of the real and complex volume problems to the calculation of a one-dimensional integral, the single relevant variable being a certain ratio of diagonal entries, nu = (rho_{11} rho_{44})/{rho_{22} rho_{33})$. The associated integrand in each case is the product of a known (highly oscillatory near nu=1) jacobian and a certain unknown univariate function, which our extensive numerical (quasi-Monte Carlo) computations indicate is very closely proportional to an (incomplete) beta function B_{nu}(a,b), with a=1/2, b=sqrt{3}in the real case, and a=2 sqrt{6}/5, b =3/sqrt{2} in the complex case. Assuming the full applicability of these specific incomplete beta functions, we undertake separable volume calculations.Comment: 17 pages, 4 figures, paper is substantially rewritten and reorganized, with the quasi-Monte Carlo integration sample size being greatly increase

On the influence of collisional rate coefficients on the water vapour excitation

Water is a key molecule in many astrophysical studies. Its high dipole moment makes this molecule to be subthermally populated under the typical conditions of most astrophysical objects. This motivated the calculation of various sets of collisional rate coefficients (CRC) for H$_2$O (with He or H$_2$) which are necessary to model its rotational excitation and line emission. We performed accurate non--local non--LTE radiative transfer calculations using different sets of CRC in order to predict the line intensities from transitions that involve the lowest energy levels of H$_2$O (E $<$ 900 K). The results obtained from the different CRC sets are then compared using line intensity ratio statistics. For the whole range of physical conditions considered in this work, we obtain that the intensities based on the quantum and QCT CRC are in good agreement. However, at relatively low H$_2$ volume density ($n$(H$_2$) $<$ 10$^7$ cm$^{-3}$) and low water abundance ($\chi$(H$_2$O) $<$ 10$^{-6}$), these physical conditions being relevant to describe most molecular clouds, we find differences in the predicted line intensities of up to a factor of $\sim$ 3 for the bulk of the lines. Most of the recent studies interpreting early Herschel Space Observatory spectra used the QCT CRC. Our results show that although the global conclusions from those studies will not be drastically changed, each case has to be considered individually, since depending on the physical conditions, the use of the QCT CRC may lead to a mis--estimate of the water vapour abundance of up to a factor of $\sim$ 3