Search results for "diatom"
showing 10 items of 156 documents
Ecotoxicity assessment of natural attenuation effects at a historical dumping site in the western Baltic Sea.
2005
During the late 1950s and early 1960s of the past century, industrial waste material highly enriched in various contaminants (heavy metals, PAHs) was dumped in the inner Mecklenburg Bay, western Baltic Sea. Large-scale shifts in the spatial distribution of heavy metals in surface sediments were mapped by geochemical monitoring in the mid-1980s and 12 years later in 1997. A further study in 2001 was designed to investigate the small-scale spatial distribution of contaminants inside, on top of, and around the historical dumping ground and to examine possible effects to benthic organisms (Arctica islandica, microbiological toxicity tests). The site is located within an area characterized by a …
Control of Electron Motion in a Molecular Ion: Dynamical Creation of a Permanent Electric Dipole
2007
The dynamics of a diatomic one-dimensional homonuclear molecule driven by a two-laser field is investigated beyond the usual fixed nuclei approximation. The dynamics of the nuclei is treated by means of Newton equations of motion; the full quantum description is used for the single active electron. The first laser pulse (pump) excites vibrations of the nuclei, while the second very short pulse (probe) has the role of confining the electron around one of the nuclei. We show how to use the radiation scattered in these conditions by the molecule to achieve real-time control of the molecular dynamics.
Coastal Evolution in a Mediterranean Microtidal Zone: Mid to Late Holocene Natural Dynamics and Human Management of the Castellò Lagoon, NE Spain
2016
We present a palaeoenvironmental study of the Castelló lagoon (NE Spain), an important archive for understanding long-term interactions between dynamic littoral ecosystems and human management. Combining geochemistry, mineralogy, ostracods, diatoms, pollen, non-pollen palynomorphs, charcoal and archaeo-historical datasets we reconstruct: 1) the transition of the lagoon from a marine to a marginal environment between ~3150 cal BC to the 17th century AD; 2) fluctuations in salinity; and 3) natural and anthropogenic forces contributing to these changes. From the Late Neolithic to the Medieval period the lagoon ecosystem was driven by changing marine influence and the land was mainly exploited …
Responses of marine benthic microalgae to elevated CO2
2011
Increasing anthropogenic CO emissions to the atmosphere are causing a rise in pCO concentrations in the ocean surface and lowering pH. To predict the effects of these changes, we need to improve our understanding of the responses of marine primary producers since these drive biogeochemical cycles and profoundly affect the structure and function of benthic habitats. The effects of increasing CO levels on the colonisation of artificial substrata by microalgal assemblages (periphyton) were examined across a CO gradient off the volcanic island of Vulcano (NE Sicily). We show that periphyton communities altered significantly as CO concentrations increased. CO enrichment caused significant increa…
A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory
2009
A modified ansatz for explicitly correlated coupled-cluster wave functions with a single correlation factor is set forward. It is based on the fixed amplitude ansatz of Ten-no [Chem. Phys. Lett. 398, 56 (2004)] to which an extra term is added that allows for the explicitly correlated description of singly excited configurations. The new approach has been implemented for coupled-cluster singles and doubles with the aid of automated techniques. Numerical results are presented for vertical excitation energies, and ground and excited state equilibrium distances and harmonic frequencies of diatomics. The new approach is shown to provide a nearly unbiased description of ground and predominantly s…
Strictly correlated electrons approach to excitation energies of dissociating molecules
2019
In this work we consider a numerically solvable model of a two-electron diatomic molecule to study a recently proposed approximation based on the density functional theory of so-called strictly correlated electrons (SCE). We map out the full two-particle wave function for a wide range of bond distances and interaction strengths and obtain analytic results for the two-particle states and eigenenergies in various limits of strong and weak interactions, and in the limit of large bond distance. We then study the so-called Hartree-exchange-correlation (Hxc) kernel of time-dependent density functional theory which is a key ingredient in calculating excitation energies. We study an approximation b…
Diatom stratigraphy and long-term dissolved silica concentrations in the Baltic Sea
2008
Abstract In many parts of the world coastal waters with anthropogenic eutrophication have experienced a gradual depletion of dissolved silica (DSi) stocks. This could put pressure on spring bloom diatom populations, e.g. by limiting the intensity of blooms or by causing shifts in species composition. In addition, eutrophication driven enhanced diatom growth is responsible for the redistribution of DSi from the water phase to the sediments, and changes in the growth conditions may be reflected in the sediment diatom stratigraphy. To test for changes in diatom communities we have analyzed four sediment cores from the Baltic Sea covering approximately the last 100 years. The sediment cores ori…
Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion
2008
The low-energy capture of a dipolar diatomic molecule in an adiabatically isolated electronic state with a good quantum number Hund’s coupling case a by an ion occurs adiabatically with respect to rotational transitions of the diatom. However, the capture dynamics may be nonadiabatic with respect to transitions between the pair of the -doubling states belonging to the same value of the intrinsic angular momentum j. In this work, nonadiabatic transition probabilities are calculated which define the -doubling j-specific capture rate coefficients. It is shown that the transition from linear to quadratic Stark effect in the ion-dipole interaction, which damps the T �1/2 divergence of the captur…
Collisional line broadening and line shifting in N2-CO2 mixture studied by inverse Raman spectroscopy
1990
Abstract Collisional effects in the Raman Q-branch of N 2 perturbed by CO 2 have been studied by high-resolution stimulated Raman spectroscopy. The Raman spectra recorded in the 0.3–1.0 atm and 295–1000 K pressure and temperature ranges are fitted with a theoretical profile taking into account line broadening, frequency shift and line mixing due to rotational energy transfers. The data at low density are used as basic data for the modeling of rotationally inelastic rates through sets of adjustable parameters. We have used in this study the two main models developed in the last decade and known as modified exponential gap (MEG) and energy corrected sudden (ECS) laws. Experimental spectra rec…
Dunham coefficients of 14N2 from CARS measurements of high vibrational states in a low-pressure discharge
1988
Spectroscopic constants of the X1Σg+ ground state of 14N2 are deduced from CARS spectra recorded in a 4 Torr d.c. N2 glow discharge. Vibrational states up to ν = 14 have been observed but only the 11 lower levels which have a good signal-to-noise ratio have been processed. The Dunham constants that were deduced yield vibrational band centre positions in good agreement with those of Lofthus and Krupenie.