New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3

New basis sets of the atomic natural orbital (ANO) type have been developed for the lanthanide atoms La-Lu. The ANOs have been obtained from the average density matrix of the ground and lowest excited states of the atom, the positive ions, and the atom in an electric field. Scalar relativistic effects are included through the use of a Douglas-Kroll-Hess Hamiltonian. Multiconfigurational wave functions have been used with dynamic correlation included using second-order perturbation theory (CASSCF/CASPT2). The basis sets are applied in calculations of ionization energies and some excitation energies. Computed ionization energies have an accuracy better than 0.1 eV in most cases. Two molecular applications are inluded as illustration: the cerium diatom and the LuF3 molecule. In both cases it is shown that 4f orbitals are not involved in the chemical bond in contrast to an earlier claim for the latter molecule.

Historiografisk metafiktion och faktion : Romantikens berättelse om den förstenade gruvdrängen Fet-Mats i två postmoderna versioner

Fet-Mats är den gruvdräng som omkom och försvann i en rasolycka i Falu koppargruva under 1670-talet och vars kropp upptäcktes välbevarad, med fortfarande ungdomligt utseende, mer än fyra årtionden senare 1719. Han igenkändes då av sin trolovade - nu en gammal gumma. På grund av den märkligt bibehållna kroppen och det hisnande ögonblick då den åldrade kvinnan återsåg sin ungdoms kärlek, blev Fet-Mats och hans historia snabbt känd, även internationellt. Den spreds under 1800- och 1900-talen i Europa som novell och poesi, dramatik och opera. Även idag berättas historien om Fet-Mats både utomlands och i Sverige. Intresset för historien är rentav i växande. Orsaken härtill är omdaningen under senare år av Falu gruva från storindustri till musealt världsarv, från malmbrytning till turistorienterad upplevelseindustri. Fet-Mats-berättelsen bildar centrum i denna upplevelseindustri. I mitt paper diskuteras detta förhållande samt den nutida Fet-Mats-epikens karakteristika i ett semiotiskt, narratologiskt och tematiskt perspektiv. Jag finner bl.a. att Fet-Mats-berättandet idag, på ett annat sätt än tidigare, äger en flermedial karaktär och formulerar det postmoderna tillståndets centrala tematik: representationens kris. Jag fokuserar särskilt på två berättelser med anknytning till Fet-Mats-motivet: Julian Barnes historiografiska metafiktion The Story of Mats Israelson (2004) och det dramadokumentära seriealbumet Fet-Mats: en gruvdrängs hemska öde (2005).

A diatom record of late Holocene climate variation in the northern range of Yellowstone National Park, USA

The changes in diatom species composition in a sediment core from Crevice Lake, Yellowstone National Park, spanning the past 2550 yr, were used to reconstruct long-term limnological and ecological conditions that may be related to late Holocene climate variability. Planktic forms dominate the fossil diatom assemblages throughout this record, but changes in species dominance indicate varying nutrient levels over time, particularly phosphorus. The changes in the nutrient concentrations in the lake were probably driven by changes in temperature and wind strength that affected the duration of watercolumn mixing and thus the extent of nutrient recycling from deep waters. Prior to 2100 cal before present (BP), Stephanodiscus minutulus and Synedra tenera dominated, suggesting long cool springs with extensive regeneration of phosphorus from the hypolimnion that resulted from isothermal mixing. From 2100 to 800 cal BP, these species were replaced by Cyclotella michiganiana and Cyclotella bodanica. These species are characteristic of lower nutrient concentrations and are interpreted here to reflect warm summers with long periods of thermal stratification. From 800 to 50 cal BP, S. minutulus dominated the diatom assemblage, suggesting a return to lengthy mixing during spring. The most dramatic late Holocene changes in the fossil diatom assemblages occurred during the transition from the Medieval Period to the Little Ice Age, approximately 800 cal BP.

Mesodictyon, A New Fossil Genus of the Centric Diatom Family Thalassiosiraceae from the Miocene Chalk Hills Formation, Western Snake River Plain, Idaho

Three new centric diatom species assigned to a new genus are described from Miocene lacustrine deposits of Idaho. Species of the new genus, Mesodictyon, have the areola cribrum in the middle of the loculus, strutted processes and radiating, non-fasciculated striae. The strutted processes of M. magnum (diameter 60-150 μm) have long (2-3 μm) tubular extensions. The strutted processes of M. fovis (diameter 14-80 μm) are in distinct pits near the junction of the face and mantle. The valve face of M. undulatum (diameter 10-44 μm) is weakly tangentially undulate. Preliminary evidence indicates that Mesodictyon has a wide geographic distribution and may be a useful biostratigraphic marker.

Thalassiosira praeoestrupii- A New Diatom Species for Recognizing the Miocene/Pliocene Epoch Boundary in Coastal California

A new diatom species, Thalassiosira praeoestrupii Dumont, Baldauf and Barron, is described. The first occurrence of T. praeoestrupii in coastal California diatom-bearing outcrops occurs between the last occurrence of Rouxia californica at 6.0 Ma, and the first occurrence of Thalassiosira oestrupii at 5.1 Ma. The latter two species have customarily been used to identify the Miocene/Pliocene boundary. Paleomagnetic studies at Santa Cruz, California, demonstrate that the first occurrence of T. praeoestrupii coincides with the top of magnetic polarity Chron 5, which closely approximates the Miocene/Pliocene Epoch boundary.

Diatom stratigraphy of the lower Pliocene part of the Sisquoc Formation, Harris Grade section, California

Lower Pliocene diatoms were studied from the Sisquoc Formation and lowermost Foxen Mudstone, exposed along Hams Grade north of Lompoc, California, to refine the diatom biostratigraphy of post-Monterey Formation sediments in California. Sixty-seven diatom taxa were identified in the 25 samples examined from the 790-m thick (2950-ft) section. The diatoms are assignable to the uppermost Nitzschia reinholdii Zone and Thalassiosira oestrupii Zone of Damn (1981), and five tentative subzones for local correlation are proposed. Regional correlations and taxon occurrence are discussed, and the base of the Nitzschia reinholdii Zone is redefined as at the last occurrence of Thalassionema schraderi.

Actinocyclus ingens var. nodus : a New, Stratigraphically Useful Diatom of the Circum-North Pacific

Actinocyclus ingens var, nodus Baldauf, n, var., is a morphologically distinct variety of the Miocene diatom A. ingens Ranray. The last occurrence of this new taxon approximates the top of the lower Middle Miocene Denticula Iauta Zone in the circum-North Pacific. Its first occurrence appears to be in the lower part of the D. fauta zone and possibly lies close to the Lower Miocene-Middle Miocene boundary.

The potentially toxic diatom Pseudo-nitzschia H. Peragallo in the Parana and Santa Catarina States, Southern Brazil

A taxonomic survey of the diatom Pseudo-nitzschia H. Peragallo was carried out in the Parana and Santa Catarina coasts, Southern Brazil. Samples were taken in various localities along the coastline using vertical hauls from the bottom to the surface. Electron microscopy revealed five species: the potentially toxic P. australis Frenguelli, P calliantha Lundholm, Moestrup & Has le, P multiseries (Has le) Has le and P pungens (Grunow ex Cleve) Has le (plus P pungens var. cingulata Villac), and the non-toxic P linea Lundholm, Has le & G. A. Fryxell. Southern Brazilian strains of P. calliantha and P multiseries have previously been shown to be toxic, raising concerns about a potential contamination of mussels and oysters being commercially grounded in the region. High morphological variability was observed in valve characters of P calliantha and P pungens, in some cases confirmed in the literature. In P calliantha there was a conspicuous differentiation in two morphotypes separated from each other by the width and the shape of the valve, and the density of the poroids. P linea has not previously been found in Brazilian waters, and P pungens var. cingulata is a new record in Western Atlantic waters. Future investigations using molecular techniques will elucidate whether the genetic variability corresponds to the morphological variation and unveil the possible existence of semicryptic species of Pseudo-nitzschia inhabiting the South Brazilian coast.