Linear response theory for the multiconfigurational short-range density functional theory (MC-srDFT) model is extended to triplet response with a singlet reference wave function. The triplet linear response equations for MC-srDFT are derived for a general hybrid srGGA functional and implemented in the Dalton program. Triplet excitation energies are benchmarked against the CC3 model of coupled clus

We investigate the full pair-distribution function of a homogeneous suspension of spherical active Brownian particles interacting by a Weeks-Chandler-Andersen potential in two spatial dimensions. The full pair-distribution function depends on three coordinates describing the relative positions and orientations of two particles, the Péclet number specifying the activity of the particles, and their

DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree-Fock, Kohn-Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled cluster theory. At the self-consistent-field level, a

This volume provides a comprehensive discussion and overview of urban resilience, including socio-ecological and economic hazard and disaster resilience. It provides a summary of state of the art thinking on resilience, the different approaches, tools and methodologies for understanding the subject in urban contexts, and brings together related reflections and initiatives.Throughout the different

Field-theory simulation by the complex Langevin method offers an alternative to conventional sampling techniques for exploring the forces driving biomolecular liquid–liquid phase separation. Such simulations have recently been used to study several polyampholyte systems. Here, we formulate a field theory corresponding to the hydrophobic/polar (HP) lattice protein model, with finite same-site repul

BackgroundHypoplastic left heart syndrome is associated with significant morbidity and mortality. We aimed to assess the influence of left ventricular morphology and choice of shunt on adverse outcome in patients with hypoplastic left heart syndrome and stage 1 palliation.Methods and ResultsThis was a retrospective analysis of patients with hypoplastic left heart syndrome with stage 1 palliation b

This article aims to expand the ongoing theoretical debate on the broadened and context-specific notion of politics by offering an empirically nuanced conceptualization of political based on the study of feminist and LGBTI+ activism in Russia, Turkey, and the Scandinavian countries. We use a multi-scalar transnational approach to foreground connectivities across regions to challenge the nation-bou

What do struggles for women’s and LGBTI+ rights in Russia, Turkey and the Scandinavian countries have in common? And what can actors who struggle for rights and justice in these contexts learn from each other? Based on a multisited ethnography of feminist and LGBTI+ activisms across Russia, Turkey and the Scandinavian countries, this Open Access book explores transnational struggles on various lev

BackgroundWasting reflects infections and poor nutrition and affects almost 50 million children at any given time. Wasting comes with immediate risk of mortality and increased risks for long-term negative consequences for development. Children under two are particularly sensitive to undernutrition and infections. We estimated the age patterning in wasting prevalence.MethodsWe calculated wasting pr

Drawing on insights from both rhetorical arena theory and contingency theory of conflict management, this study examines the role of political factors in shaping stakeholder groups’ perceptions and organizational responses and stances in a scansis of a multinational corporation. This study combined qualitative content analysis and semantic network analysis to analyze organizational responses, news

Background: Many blood group antigens are carried by red cell surface proteins, thefunctions of which are not yet fully characterized or in some cases completelyunknown. By investigating red cells with naturally-occurring blood group variants,much has been learnt about the underlying molecules. However, interindividualvariation affecting other molecules than the one(s) of interest may confound oro

The field of molecular phylogenetics is being revolutionized with next-generation sequencing technologies making it possible to sequence large numbers of genomes for non-model organisms ushering us into the era of phylogenomics. The current challenge is no longer how to get enough data, but rather how to analyse the data and how to assess the support for the inferred phylogeny. Here, we focus on o

Basic materials are traded globally and responsible for roughly 22 % of global carbon emissions. It is technically possible for the energy intensive industries (EIIs) that produce these materials to reach zero emission, but at a cost. So far, the fear of carbon leakage has been a barrier for implementing ambitious domestic climate policies that targets theses globally traded commodities. The intro

Pange lingua är en hymn från femhundratalet av Venantius Fortunatus. Den sjöngs under fastetiden och framför allt på långfredagen och återfinns i Den svenska psalmboken, men inte som en regelrätt översättning utan som bearbetningar och förkortningar, i psalmerna 147 och 456. Artikeln ger en bakgrund till hymnens tillkomst och en nyöversättning av hela hymnen.

Detta projekt har syftat till att ge svenska myndigheter och beslutsfattare enbeskrivning av samhällets problem efter ett kraftigt nedfall av långlivade radioaktivaämnen och hur den bästa kombinationen av åtgärder kan väljas för att skyddamänniskor mot bestrålning med hänsyn till ekonomiska, sociala och samhälleligafaktorer. Arbetet med att återställning av ett tätortsområde som berörts av enomfat

Background: Most patients with kidney disease have different degrees of proteinuria. Heavy proteinuria causes nephrotic syndrome. The incidences of nephrotic syndrome in adults are approximately three per 100 000 persons. Although if nephrotic syndrome is rare, it is a serious clinical condition. Little is known about health and wellbeing among patients with nephrotic syndrome. It is important for