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.

From S-matrix theory to strings: Scattering data and the commitment to non-arbitrariness.

The early history of string theory is marked by a shift from strong interaction physics to quantum gravity. The first string models and associated theoretical framework were formulated in the late 1960s and early 1970s in the context of the S-matrix program for the strong interactions. In the mid-1970s, the models were reinterpreted as a potential theory unifying the four fundamental forces.

[A women with papules on her stomach].

A 55-year old woman was seen at the outpatient Dermatology department with orange-red, soft-elastic, asymptomatic papules on her abdomen since five years. A biopsy was positive for Congo-red staining and showed apple-green under bipolarized light. Laboratory work-up showed no systematic amyloidosis.

[A man with grouped papules on his shoulder].

A 58-years old man was seen at the dermatology outpatient clinic because of a spot near his ear. However, during physical examination soft-elastic papules on his left shoulder were visible. As the patient had not undergone additional examination for this, a biopsy was taken.

[A neonate with erythema around the umbilicus].

A 19-day-old healthy girl presented with a livid erythematous patch on the skin around the umbilicus. The umbilical stump detached a week before the presentation. There were no signs of infection.

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.

Fast Green's Function Method for Ultrafast Electron-Boson Dynamics.

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Currently, however, real-time Green's function simulations are either prohibitively expensive due to the cubic scaling with the propagation time or do neglect the feedback of electrons on the bosons, thus violating energy conservation.

Electronic transport in molecular junctions: The generalized Kadanoff-Baym ansatz with initial contact and correlations.

The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green's functions. For finite systems, the limitation of neglecting initial correlations in the conventional GKBA approach has recently been overcome [Karlsson et al., Phys.

DNA methylation markers as a triage test for identification of cervical lesions in a high risk human papillomavirus positive screening cohort.

Objective triage strategies are required to prevent unnecessary referrals for colposcopy in population-based screening programs using primary high-risk human papillomavirus (hrHPV) testing. We have identified several DNA methylation markers with high sensitivity and specificity for detection of high-grade cervical intraepithelial neoplasia or worse (CIN2+) in women referred for colposcopy. Our study assessed diagnostic potential of these methylation markers in a hrHPV-positive screening cohort.

Host-cell DNA methylation patterns during high-risk HPV-induced carcinogenesis reveal a heterogeneous nature of cervical pre-cancer.

Cervical cancer development following a persistent infection with high-risk human papillomavirus (hrHPV) is driven by additional host-cell changes, such as altered DNA methylation. In previous studies, we have identified 12 methylated host genes associated with cervical cancer and pre-cancer (CIN2/3). This study systematically analyzed the onset and DNA methylation pattern of these genes during hrHPV-induced carcinogenesis using a longitudinal in vitro model of hrHPV-transformed cell lines (n = 14) and hrHPV-positive cervical scrapings (n = 113) covering various stages of cervical carcinogenesis.

Genome-wide methylome analysis using MethylCap-seq uncovers 4 hypermethylated markers with high sensitivity for both adeno- and squamous-cell cervical carcinoma.

Background: Cytology-based screening methods for cervical adenocarcinoma (ADC) and to a lesser extent squamous-cell carcinoma (SCC) suffer from low sensitivity. DNA hypermethylation analysis in cervical scrapings may improve detection of SCC, but few methylation markers have been described for ADC. We aimed to identify novel methylation markers for the early detection of both ADC and SCC.

The adiabatic strictly-correlated-electrons functional: kernel and exact properties.

We investigate a number of formal properties of the adiabatic strictly-correlated electrons (SCE) functional, relevant for time-dependent potentials and for kernels in linear response time-dependent density functional theory. Among the former, we focus on the compliance to constraints of exact many-body theories, such as the generalised translational invariance and the zero-force theorem. Within the latter, we derive an analytical expression for the adiabatic SCE Hartree exchange-correlation kernel in one dimensional systems, and we compute it numerically for a variety of model densities.

A hospital-wide system to ensure rapid treatment time across the entire spectrum of emergency percutaneous intervention.

Objectives: This study's aim was to describe a hospital-wide system to deliver rapid door-to-balloon time across the entire spectrum of emergency percutaneous intervention.

Background: Many patients needing emergency PCI are excluded from door-to-balloon public reporting metric; these groups do not achieve door-to-balloon times ≤90 min and have increased mortality rates.

Methods: We prospectively implemented a protocol for patients with STEMI or other emergency indication for catheterization mandating (1) emergency department physician or cardiologist activation of the catheterization lab and (2) immediate patient transfer to an immediately available catheterization lab by an in-house nursing transfer team.

Many-body Green's function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer.

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model.

Many-body Green's function theory for electron-phonon interactions: Ground state properties of the Holstein dimer.

We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found.

Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory.

In this work we review the mapping from densities to potentials in quantum mechanics, which is the basic building block of time-dependent density-functional theory and the Kohn-Sham construction. We first present detailed conditions such that a mapping from potentials to densities is defined by solving the time-dependent Schrödinger equation. We specifically discuss intricacies connected with the unboundedness of the Hamiltonian and derive the local-force equation.

Curvature in graphene nanoribbons generates temporally and spatially focused electric currents.

Today graphene nanoribbons and other graphene-based nanostructures can be synthesized with atomic precision. But while investigations have concentrated on straight graphene ribbons of fixed crystal orientation, ribbons with intrinsic curvature have remained mainly unexplored. Here, we investigate electronic transport in intrinsically curved graphene nanoribbons coupled to straight leads using two computational approaches.

Compact 4.7 W, 18.3% wall-plug efficiency green laser based on an electrically pumped VECSEL using intracavity frequency doubling.

We have demonstrated a compact, 4.7 W green laser based on an electrically pumped vertical external-cavity surface emitting laser through intracavity frequency doubling. The overall wall-plug efficiency (electrical to green) was 18.

Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment.

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r12) depending on the interelectronic distance r12. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule.

[A boy with a wart-like lesion of the toe].

A 10-year-old boy consulted a dermatologist with a painful, subungual tumour on one of his toes. X-ray showed an outgrowth of the distal phalanx and histopathological investigation showed osteochondromatous proliferation. The patient was diagnosed with exostosis.

Long-range interactions and the sign of natural amplitudes in two-electron systems.

In singlet two-electron systems, the natural occupation numbers of the one-particle reduced density matrix are given as squares of the natural amplitudes which are defined as the expansion coefficients of the two-electron wave function in a natural orbital basis. In this work, we relate the sign of the natural amplitudes to the nature of the two-body interaction. We show that long-range Coulomb-type interactions are responsible for the appearance of positive amplitudes and give both analytical and numerical examples that illustrate how the long-distance structure of the wave function affects these amplitudes.

[A woman with a "bruise" on the face].

A 95-year-old woman presented with a progressive purple blue asymptomatic tumorous plaque on her forehead, extending as a macula to the upper face, possibly arisen after a fall. Histology showed atypical epitheloid cells with vascular-lumen formation. The patient was diagnosed with cutaneous angiosarcoma.

Time propagation of the Kadanoff-Baym equations for inhomogeneous systems.

We have developed a time-propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the presence of time-dependent external fields. The external fields are treated nonperturbatively whereas the many-body interactions are incorporated perturbatively using Phi-derivable self-energy approximations that guarantee the satisfaction of the macroscopic conservation laws of the system.