Geometrical perspective on spin-lattice density-functional theory.

A recently developed viewpoint on the fundamentals of density-functional theory for finite interacting spin-lattice systems that centers around the notion of degeneracy regions is presented. It allows for an entirely geometrical description of the Hohenberg-Kohn theorem and v-representability. The phenomena receive exemplification by an Anderson impurity model and other small-lattice examples.

Longitudinal associations between depressive symptoms and cell deformability: do glucocorticoids play a role?

Cell deformability of all major blood cell types is increased in depressive disorders (DD). Furthermore, impaired glucocorticoid secretion is associated with DD, as well as depressive symptoms in general and known to alter cell mechanical properties. Nevertheless, there are no longitudinal studies examining accumulated glucocorticoid output and depressive symptoms regarding cell deformability.

Information as a resource: Can perceived information process quality in the workplace contribute to more optimism in times of crisis?

Against the background of Job Demands-Resources and Conservation of Resources theory and research on organizational communication, this prospective study among n = 312 employees explores the significant role of perceived information process quality (PIPQ) in enhancing employees' optimism during the COVID-19 pandemic. It thereby contributes to a deeper understanding of the factors influencing employee optimism in challenging contexts. In this study, PIPQ is defined by the availability of timely information, clarity, and consistency in the information provided.

Evaluation of the point sampling method and inter-comparison of remote emission sensing systems for screening real-world car emissions.

Emissions from internal combustion vehicles are currently not properly monitored throughout their life cycle. Remote emission sensing (RES) is a technology that can measure emissions under real driving conditions without contact. Current light extinction based RES systems are capable of providing emission factors for various gases, but lack accuracy for particulate matter (PM).

Exchange-only virial relation from the adiabatic connection.

The exchange-only virial relation due to Levy and Perdew is revisited. Invoking the adiabatic connection, we introduce the exchange energy in terms of the right-derivative of the universal density functional w.r.

Exchange energies with forces in density-functional theory.

We propose exchanging the energy functionals in ground-state density-functional theory with physically equivalent exact force expressions as a new promising route toward approximations to the exchange-correlation potential and energy. In analogy to the usual energy-based procedure, we split the force difference between the interacting and auxiliary Kohn-Sham system into a Hartree, an exchange, and a correlation force. The corresponding scalar potential is obtained by solving a Poisson equation, while an additional transverse part of the force yields a vector potential.

The Structure of the Density-Potential Mapping. Part II: Including Magnetic Fields.

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just one-body particle density. In this Part II of a series of two articles, we aim at clarifying the status of this theorem within different extensions of DFT including magnetic fields. We will in particular discuss current-density-functional theory (CDFT) and review the different formulations known in the literature, including the conventional paramagnetic CDFT and some nonstandard alternatives.

Weakened Topological Protection of the Quantum Hall Effect in a Cavity.

We study the quantum Hall effect in a two-dimensional homogeneous electron gas coupled to a quantum cavity field. As initially pointed out by Kohn, Galilean invariance for a homogeneous quantum Hall system implies that the electronic center of mass (c.m.

Exhaustion and cardiovascular risk factors: the role of vagally-mediated heart rate variability.

Purpose: Exhaustion symptoms are known to be associated with cardiovascular disease (CVD) risk; however, the underlying mechanisms remain unclear. Autonomic imbalance, as indicated by reductions in vagally-mediated heart rate variability (vmHRV), appears to be a valid candidate for such a biological link, as it has been associated with both exhaustion symptoms and CVD risk and mortality.

Methods: The present study examined a potential mediation of vmHRV on the association between exhaustion symptoms and self-reported CVD risk factors as well as the age dependency of this mediation in a large, heterogeneous sample of the Dresden Burnout Study (N = 388; 72.

The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory.

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review aims at clarifying the status of the Hohenberg-Kohn theorem within DFT and Part II at different extensions of the theory that include magnetic fields. We collect evidence that the Hohenberg-Kohn theorem does not so much form the basis of DFT, but is rather the consequence of a more comprehensive mathematical framework.

Work values across generations: Development of the New Work Values Scale (NWVS) and examination of generational differences.

The "battle for talent" requires organizations to more strongly focus on employer branding strategies, and, thus, on work values or work orientations of potential candidates. We therefore developed and validated the (Study 1;  = 316), a brief, 28-item, rating scale that covers a broad set of both, instrumental and symbolic, values, relevant for the appraisal of an employers' attractiveness. We also applied the scale to a sample representative to the German online population, to explore the controversially discussed generational differences in work values (Study 2;  = 956).

Depressive symptoms are negatively associated with hair N-arachidonoylethanolamine (anandamide) levels: A cross-lagged panel analysis of four annual assessment waves examining hair endocannabinoids and cortisol.

Background: The endocannabinoid system (ECS) is increasingly being recognized as key regulatory system coupled with the glucocorticoid system implicated in the pathophysiology of major depressive disorder (MDD). However, prior studies examining the ECS in MDD have been inconclusive, of small sample size or of cross-sectional nature limiting interpretation of causal inferences or time-dependent effects.

Methods: In a prospective community-based cohort study including 128 individuals (women: 108), depressive symptoms (PHQ-9) as well as hair cortisol and endocannabinoids were measured annually over four years (T1-T4).

Determining the direction of prediction of the association between parasympathetic dysregulation and exhaustion symptoms.

Stress-related exhaustion symptoms have a high prevalence which is only likely to increase further in the near future. Understanding the physiological underpinnings of exhaustion has important implications for accurate diagnosis and the development of effective prevention and intervention programs. Given its integrative role in stress-regulation, the parasympathetic branch of the autonomic nervous systems has been a valid starting point in the exploration of the physiological mechanisms behind exhaustion.

Density-functional theory on graphs.

The principles of density-functional theory are studied for finite lattice systems represented by graphs. Surprisingly, the fundamental Hohenberg-Kohn theorem is found void, in general, while many insights into the topological structure of the density-potential mapping can be won. We give precise conditions for a ground state to be uniquely v-representable and are able to prove that this property holds for almost all densities.

Humoral and cellular immunity in convalescent COVID-19 people with multiple sclerosis treated with ofatumumab.

Objectives: To report clinical outcome, development of humoral and T-cell mediated immunity in convalescent COVID-19 people with multiple sclerosis (pwMS) treated with ofatumumab in the ALITHIOS study from a single center.

Methods: Testing for SARS-Cov2 IgG antibodies was performed on two occasions with at least three months apart between the two testing. During the second antibody testing, interferon-γ ELISpot was used to assess cellular immunity.

Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light-matter coupling.

Strong light-matter coupling provides a promising path for the control of quantum matter where the latter is routinely described from first principles. However, combining the quantized nature of light with this ab initio tool set is challenging and merely developing as the coupled light-matter Hilbert space is conceptually different and computational cost quickly becomes overwhelming. In this work, we provide a nonperturbative photon-free formulation of quantum electrodynamics (QED) in the long-wavelength limit, which is formulated solely on the matter Hilbert space and can serve as an accurate starting point for such ab initio methods.

Revisiting density-functional theory of the total current density.

Density-functional theory (DFT) requires an extra variable besides the electron density in order to properly incorporate magnetic-field effects. In a time-dependent setting, the gauge-invariant, total current density takes that role. A peculiar feature of the static ground-state setting is, however, that the gauge-dependent paramagnetic current density appears as the additional variable instead.

The moderating effect of cortisol and dehydroepiandrosterone on the relation between sleep and depression or burnout.

For poor sleep quality (SQ) as well as major depressive disorder (MDD) and burnout, a dysregulation of the hypothalamic-pituitary-adrenal (HPA) axis has been identified. Although poor SQ is often reported as an early symptom of MDD or burnout, it is not clear whether HPA axis-related hormones can influence the association between SQ and MDD or burnout. This manuscript addresses this question by examining HPA axis-related hormones as potential moderators influencing the association between SQ and MDD or burnout.

Erratum: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions [Phys. Rev. Lett. 123, 037401 (2019)].

This corrects the article DOI: 10.1103/PhysRevLett.123.

The Influence of Workload and Work Flexibility on Work-Life Conflict and the Role of Emotional Exhaustion.

The purpose of this study is to examine the relationship between contextual work-related factors in terms of job demands (workload-) and job resources (work flexibility-), work-life conflict () and the burnout dimension emotional exhaustion () in a large population-based sample. Building on the job demands resources model (JDRM), we have developed the hypothesis that has an indirect effect on that is mediated by We conducted a secondary analysis using data from the Dresden Burnout Study (DBS, = 4246, mean age (SD) = 42.7 years (10.

Virial Relations for Electrons Coupled to Quantum Field Modes.

In this work, we present a set of virial relations for many electron systems coupled to both classical and quantum fields, described by the Pauli-Fierz Hamiltonian in dipole approximation and using length gauge. Currently, there is growing interest in solutions of this Hamiltonian because of its relevance for describing molecular systems strongly coupled to photonic modes in cavities and in the possible modification of chemical properties of such systems compared to the ones in free space. The relevance of such virial relations is demonstrated by showing a connection to mass renormalization and by providing an exact way to obtain total energies from potentials in the framework of quantum electrodynamical density functional theory.

Depressive symptoms are not associated with long-term integrated testosterone concentrations in hair.

Objectives: The association between depressive symptomatology and endogenous testosterone levels is inconclusive. Large inter- and intra-individual testosterone differences suggest point measurements from saliva or serum to be inadequate to map basal testosterone concentrations highlighting the potential for long-term integrated testosterone levels from hair.

Methods: Using data from a prospective cohort study, a total of 578 participants (74% female) provided complete data on depressive symptomatology, clinical features, and hair samples for quantification of testosterone concentrations at baseline.

Effects of a 6-Week Internet-Based Stress Management Program on Perceived Stress, Subjective Coping Skills, and Sleep Quality.

Occupational stress management intervention programs are known to be effective in preventing stress-related health burden. Two essential mechanisms underlie this effect: (i) a reduction in perceived stress (e.g.