We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the local fragment problem using a high-level CC method and address the environment problem with a lower-level Møller-Plesset (MP) perturbative method. This embedding approach inherits many conceptual developments from the hybrid second-order Møller-Plesset (MP2) and CC works by Nooijen [J.
View Article and Find Full Text PDFWe present the linear response theory for an elastic solid composed of active Brownian particles with intrinsic individual chirality, deriving both a normal mode formulation and a continuum elastic formulation. Using this theory, we compute analytically the velocity correlations and energy spectra under different conditions, showing an excellent agreement with simulations. We generate the corresponding phase diagram, identifying chiral and achiral disordered regimes (for high chirality or noise levels), as well as chiral and achiral states with mesoscopic-range order (for low chirality and noise).
View Article and Find Full Text PDFBackground: Low population density, geographic spread, limited infrastructure and higher costs are unique challenges in the delivery of healthcare in rural areas. During the COVID-19 pandemic, emergency powers adopted globally to slow the spread of transmission of the virus included population-wide lockdowns and restrictions upon movement, testing, contact tracing and vaccination programs. The aim of this research was to document the experiences of rural health service leaders as they prepared for the emergency pandemic response, and to derive from this the lessons learned for workforce preparedness to inform recommendations for future policy and emergency planning.
View Article and Find Full Text PDFOceanic eddies exhibit remarkable coherence and longevity compared to other transient features in the surrounding flow. They possess the ability to transport properties over extensive distances while maintaining their material identity intact. The Lagrangian Coherent Structure (LCS) framework has proven effective in capturing these coherent eddies, where they display a solid-body-like rotation.
View Article and Find Full Text PDFWe test the performance of self-consistent and several representative implementations of vertex-corrected (Γ). These approaches are tested on benchmark data sets covering full valence spectra (first ionization potentials and some inner valence shell excitations). For small molecules, when comparing against state-of-the-art wave function techniques, our results show that full self-consistency in the scheme either systematically outperforms vertex-corrected or gives results of at least comparative quality.
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