Thermal seasons in northern Europe in projected future climate

Global warming acts to prolong thermal summers and shorten winters. In this work, future changes in the lengths and timing of four thermal seasons in northern Europe, with threshold temperatures 0 and 10 degrees C, are derived from bias-adjusted output data from 23 CMIP5 global climate models. Three future periods and two Representative Concentration Pathway (RCP) scenarios are discussed. The focus is on the period 2040-2069 under RCP4.5, which approximately corresponds to a 2 degrees C global warming relative to the preindustrial era. By the period 2040-2069, the average length of the thermal summer increases by nearly 30 days relative to 1971-2000, and the thermal winter shortens by 30-60 days. The timing of the thermal springs advances while autumns delay. Within the model ensemble, there is a high linear correlation between the modelled annual-mean temperature increase and shifts in the thermal seasons. Thermal summers lengthen by about 10 days and winters shorten by 10-24 days per 1 degrees C of local warming. In the mid-21st century, about two-thirds of all summers (winters) are projected to be very long (very short) according to the baseline-period standards, with an anomaly greater than 20 days relative to the late-20th century temporal mean. The proportion of years without a thermal winter increases remarkably in the Baltic countries and southern Scandinavian peninsula. Implications of the changing thermal seasons on nature and human society are discussed in a literature review.Peer reviewe

Towards High Performance Relativistic Electronic Structure Modelling: The EXP-T Program Package

Modern challenges arising in the fields of theoretical and experimental physics require new powerful tools for high-precision electronic structure modelling; one of the most perspective tools is the relativistic Fock space coupled cluster method (FS-RCC). Here we present a new extensible implementation of the FS-RCC method designed for modern parallel computers. The underlying theoretical model, algorithms and data structures are discussed. The performance and scaling features of the implementation are analyzed. The software developed allows to achieve a completely new level of accuracy for prediction of properties of atoms and molecules containing heavy and superheavy nuclei

Sequential decoupling of negative-energy states in Douglas-Kroll-Hess theory

Here, we review the historical development, current status, and prospects of Douglas--Kroll--Hess theory as a quantum chemical relativistic electrons-only theory.Comment: 15 page

Low back pain and widespread pain predict sickness absence among industrial workers

BACKGROUND: The prevalence of musculoskeletal disorders (MSD) in the aluminium industry is high, and there is a considerable work-related fraction. More knowledge about the predictors of sickness absence from MSD in this industry will be valuable in determining strategies for prevention. The aim of this study was to analyse the relative impact of body parts, psychosocial and individual factors as predictors for short- and long-term sickness absence from MSD among industrial workers. METHODS: A follow-up study was conducted among all the workers at eight aluminium plants in Norway. A questionnaire was completed by 5654 workers at baseline in 1998. A total of 3320 of these participated in the follow-up study in 2000. Cox regression analysis was applied to investigate the relative impact of MSD in various parts of the body and of psychosocial and individual factors reported in 1998 on short-term and long-term sickness absence from MSD reported in 2000. RESULTS: MSD accounted for 45% of all working days lost the year prior to follow-up in 2000. Blue-collar workers had significantly higher risk than white-collar workers for both short- and long-term sickness absence from MSD (long-term sickness absence: RR = 3.04, 95% CI 2.08–4.45). Widespread and low back pain in 1998 significantly predicted both short- and long-term sickness absence in 2000. In addition, shoulder pain predicted long-term sickness absence. Low social support predicted short-term sickness absence (RR = 1.28, 95% CI 1.11–1.49). CONCLUSIONS: Reducing sickness absence from MSD among industrial workers requires focusing on the working conditions of blue-collar workers and risk factors for low back pain and widespread pain. Increasing social support in the work environment may have effects in reducing short-term sickness absence from MSD

The four-component two-particle propagator for the calculation of double-ionization spectra of heavy-element compounds: I. Method

International audienceIn this work we present a new four-component implementation of the two-particle (2p) propagator as a powerful tool for calculating double ionization spectra of systems containing heavy elements. The 2p-propagator approach provides immediate access to the complete final state distribution of doubly ionized systems together with a detailed configurational information of each final state. This information is vital for the analysis of electronic decay processes as radiationless relaxation mechanisms after an initial core hole ionization and for the simulation of Auger spectra. The capabilities of the four-component realization is first demonstrated at the xenon atom and the bromine molecule for which experimental results are available. It turns out that a relativistic treatment is required for an adequate description of the experimental findings. In this first paper we focus on the electronic structure described by the 2p-propagator and will later on apply this method to the calculation of Auger spectra and electronic decay processes in heavy systems

New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides

This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic Hamiltonians that are frequently applied to account for relativistic effects. Then, we scrutinize various quantum chemistry methods that approximate the $N$-electron wave function. In this respect, we will review the most popular single- and multi-reference approaches that have been developed to model the multi-reference nature of heavy element compounds and their ground- and excited-state electronic structures. Specifically, we introduce various flavors of post-Hartree--Fock methods and optimization schemes like the complete active space self-consistent field method, the configuration interaction approach, the Fock-space coupled cluster model, the pair-coupled cluster doubles ansatz, also known as the antisymmetric product of 1 reference orbital geminal, and the density matrix renormalization group algorithm. Furthermore, we will illustrate how concepts of quantum information theory provide us with a qualitative understanding of complex electronic structures using the picture of interacting orbitals. While modern quantum chemistry facilitates a quantitative description of atoms and molecules as well as their properties, concepts of quantum information theory offer new strategies for a qualitative interpretation that can shed new light onto the chemistry of complex molecular compounds.Comment: 43 pages, 3 figures, Version of Recor

Quaternion symmetry in relativistic molecular calculations: The Dirac–Hartree–Fock method

International audienceA symmetry scheme based on the irreducible corepresentations of the full symmetry group of a molecular system is presented for use in relativistic calculations. Consideration of time-reversal symmetry leads to a reformulation of the Dirac-Hartree-Fock equations in terms of quaternion algebra. Further symmetry reductions due to molecular point group symmetry are then manifested by a descent to complex or real algebra. Spatial symmetry will be restricted to D 2h and subgroups, and it will be demonstrated that the Frobenius-Schur test can be used to characterize these groups as a whole. The resulting symmetry scheme automatically provides maximum point group and time-reversal symmetry reduction of the computational effort, also when the Fock matrix is constructed in a scalar basis, that is, from the same type of electron repulsion integrals over symmetry-adapted scalar basis functions as in nonrelativistic theory. An illustrative numerical example is given showing symmetry reductions comparable to the nonrelativistic case