What can quantum information theory offer to quantum chemistry?

It is the ultimate goal of this work to foster synergy between quantum chemistry and the flourishing field of quantum information theory. For this, we first translate quantum information concepts, such as entanglement and correlation, into the context of quantum chemical systems. In particular, we establish two conceptually distinct perspectives on 'electron correlation', leading to a notion of orbital and particle correlation.

U.S. cereal rye winter cover crop growth database.

Winter cover crop performance metrics (i.e., vegetative biomass quantity and quality) affect ecosystem services provisions, but they vary widely due to differences in agronomic practices, soil properties, and climate.

Refining and relating fundamentals of functional theory.

To advance the foundation of one-particle reduced density matrix functional theory (1RDMFT), we refine and relate some of its fundamental features and underlying concepts. We define by concise means the scope of a 1RDMFT, identify its possible natural variables, and explain how symmetries could be exploited. In particular, for systems with time-reversal symmetry, we explain why there exist six equivalent universal functionals, prove concise relations among them, and conclude that the important notion of v-representability is relative to the scope and choice of variable.

Farm size affects the use of agroecological practices on organic farms in the United States.

Organic agriculture outperforms conventional agriculture across several sustainability metrics due, in part, to more widespread use of agroecological practices. However, increased entry of large-scale farms into the organic sector has prompted concerns about 'conventionalization' through input substitution, agroecosystem simplification and other changes. We examined this shift in organic agriculture by estimating the use of agroecological practices across farm size and comparing indicators of conventionalization.

Foundation of One-Particle Reduced Density Matrix Functional Theory for Excited States.

In . , , 023001 a reduced density matrix functional theory (RDMFT) was proposed for calculating energies of selected eigenstates of interacting many-Fermion systems. Here, we develop a solid foundation for this so-called -RDMFT and present the details of various derivations.

Experiences of emergency triage nurses in the police handover of mentally ill patients: A qualitative descriptive study.

Background: Due to the high prevalence of mental health illnesses, police officers are often the community resource to emergency calls for someone experiencing a mental health crisis. Despite the successful efforts of crisis intervention teams, the police frequently escort and transfer the individual in crisis to the emergency department (ED). To our knowledge, one study has explored the interactions of first responders and ED staff; however, we lack an understanding of ED triage nurse experiences.

Protective Effect of Morus alba Leaf Extract on N-Nitrosodiethylamine-induced Hepatocarcinogenesis in Rats.

Background/aim: The leaves of white mulberry (Morus alba L.) contain various polyphenolic compounds possessing strong antioxidant activity and anticancer potential. This study was designed to investigate the chemopreventive effect of aqueous extract of mulberry leaves against N-nitrosodiethylamine (NDEA)-induced liver carcinogenesis.

White dwarf stars with carbon atmospheres.

White dwarfs represent the endpoint of stellar evolution for stars with initial masses between approximately 0.07 and 8-10, where is the mass of the Sun (more massive stars end their life as either black holes or neutron stars). The theory of stellar evolution predicts that the majority of white dwarfs have a core made of carbon and oxygen, which itself is surrounded by a helium layer and, for approximately 80 per cent of known white dwarfs, by an additional hydrogen layer.

An Improved Red Spectrum of the Methane or T Dwarf SDSS 1624+0029: The Role of the Alkali Metals.

A Keck II low-resolution spectrum shortward of 1 µm is presented for SDSS 1624+0029, the first field methane or T dwarf discovered in the Sloan Digital Sky Survey. Significant flux is detected down to the spectrum's short-wavelength limit of 6200 Å. The spectrum exhibits a broad absorption feature centered at 7700 Å, which we interpret as the K i lambdalambda7665, 7699 resonance doublet.

Discovery of a Brown Dwarf Companion to Gliese 570ABC: A 2MASS T Dwarf Significantly Cooler than Gliese 229B.

We report the discovery of a widely separated (258&farcs;3+/-0&farcs;4) T dwarf companion to the Gl 570ABC system. This new component, Gl 570D, was initially identified from the Two Micron All-Sky Survey. Its near-infrared spectrum shows the 1.

BRI 0021-0214: Another Surprise at the Bottom of the Main Sequence.

We report the detection of an Halpha flare on the low-luminosity M9.5 dwarf BRI 0021-0214. This star has rapid rotation, vsin&parl0;i&parr0; approximately 40 km s-1, but generally shows no significant chromospheric emission.

The moving emission features in SS433 require a dynamical interpretation.

New spectrophotometry of SS433 shows that the variable-wavelength emission features discovered by Margon et al. are due to the simultaneous presence of material having a substantial redshift and a substantial blueshift. A magnetic interpretation for the features is also ruled out by polarimetric measurements.