Separation of the Exchange-Correlation Potential into Exchange plus Correlation: an Optimized Effective Potential Approach

Most approximate exchange-correlation functionals used within density functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is useful since, for exchange, exact relations exist under uniform density scaling and spin scaling. In the past, accurate exchange-correlation potentials have been generated from essentially exact densities constructed using information from either quantum chemistry or quantum Monte Carlo calculations but they have not been correctly decomposed into their separate exchange and correlation components, except for two-electron systems. exchange and correlation components (except for two-electron systems). Using a recently proposed method, equivalent to the solution of an optimized effective potential problem with the corresponding orbitals replaced by the exact Kohn-Sham orbitals, we obtain the separation according to the density functional theory definition. We compare the results for the Ne and Be atoms with those obtained by the previously used approximate separation scheme

Increasing frailty is associated with higher prevalence and reduced recognition of delirium in older hospitalised inpatients: results of a multi-centre study

Purpose Delirium is a neuropsychiatric disorder delineated by an acute change in cognition, attention, and consciousness. It is common, particularly in older adults, but poorly recognised. Frailty is the accumulation of deficits conferring an increased risk of adverse outcomes. We set out to determine how severity of frailty, as measured using the CFS, affected delirium rates, and recognition in hospitalised older people in the United Kingdom. Methods Adults over 65 years were included in an observational multi-centre audit across UK hospitals, two prospective rounds, and one retrospective note review. Clinical Frailty Scale (CFS), delirium status, and 30-day outcomes were recorded. Results The overall prevalence of delirium was 16.3% (483). Patients with delirium were more frail than patients without delirium (median CFS 6 vs 4). The risk of delirium was greater with increasing frailty [OR 2.9 (1.8–4.6) in CFS 4 vs 1–3; OR 12.4 (6.2–24.5) in CFS 8 vs 1–3]. Higher CFS was associated with reduced recognition of delirium (OR of 0.7 (0.3–1.9) in CFS 4 compared to 0.2 (0.1–0.7) in CFS 8). These risks were both independent of age and dementia. Conclusion We have demonstrated an incremental increase in risk of delirium with increasing frailty. This has important clinical implications, suggesting that frailty may provide a more nuanced measure of vulnerability to delirium and poor outcomes. However, the most frail patients are least likely to have their delirium diagnosed and there is a significant lack of research into the underlying pathophysiology of both of these common geriatric syndromes

Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydrides

Journal URL: http://jcp.aip.org/jcp/staff.js

Working with young people from refugee backgrounds in Australia

Social workers who are new to working with young people who are refugees may feel overwhelmed, out of their depth and inclined to defer to powerful psychiatric discourse. Arguing a role for social work engagement with young people as they face the personal, social, communal, cultural, political and economic challenges of settlement, this paper proposes a reflexive, deconstructive and dialogical approach within a broadly ecological model. All settlement tasks require mediation through the powerful discourse (language, values, constructs, social practices) of both the young person's own community and those of the new context. Creating spaces where young people can identify and negotiate the forces vying to shape them underpins and complements the urgent task of combating ethnocentricity in Australian institutions

The taming of a tragic heroine: Electra in eighteenth-century art

The article explores two cases of the reception of the tragic heroine Electra in the visual culture of the eighteenth century. The British artist John Flaxman (1755-1826) created three drawings of the heroine, two based on Aeschylus’ Choephori (1795) and a third, unfinished one modelled on Sophocles’ Electra. Angelika Kauffman (1741-1807), a Swiss artist, portrayed Electra’s meeting with her sister in her painting Electra giving her sister Chrysothemis her girdle and a lock of hair from Orestes for the grave of Agamemnon (circa 1778). Flaxman’s drawings stress Electra’s devotion to her dead father Agamemnon and her love for her brother Orestes. Kauffman’s more unusual painting emphasizes instead the collaboration of the two sisters. As a female painter Kauffman chose to portray Electra in a more active role drawing on Sophocles’ source text in which she persuades her sister to replace her mother’s gifts with her own. Both receptions, however, chose to marginalise the more ambiguous aspects of Electra’s portrayal in Greek tragedy, especially her desire for revenge. Thus, in order for Electra to be acceptable to an eighteenth century audience she had to be ‘tamed’ and her passionate voice silenced