32 research outputs found

    Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculations

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    Numerical projection methods are elaborated for the calculation of eigenstates of the non-relativistic many-particle Coulomb Hamiltonian with selected rotational and parity quantum numbers employing shifted explicitly correlated Gaussian functions, which are, in general, not eigenfunctions of the total angular momentum and parity operators. The increased computational cost of numerically projecting the basis functions onto the irreducible representations of the three dimensional rotation-inversion group is the price to pay for the increased flexibility of the basis functions. This increased flexibility allowed us to achieve a substantial improvement for the variational upper bound to the Pauli-allowed ground-state energy of the H3+={_3^+=\{p+,^+,p+,^+,p+,^+,e−,^-,e−}^-\} molecular ion treated as an explicit five-particle system. We compare our pre-Born-Oppenheimer result for this molecular ion with rovibrational results including non-adiabatic corrections.Comment: 29 pages, 3 figures, 4 table

    Intentional and automatic measures of specific-category effect in the semantic impairment of patients with Alzheimer's disease

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    The breakdown of semantic knowledge relative to living and non-living categories was studied in patients with Alzheimer's disease (AD). The same living and non-living items were used in a semantic battery and in a semantic priming paradigm exploring automatic access to the semantic system. Although AD patients showed a semantic deficit on the intentional semantic battery, they demonstrated normal semantic facilitation on the priming task. In the AD group as a whole, the semantic impairment did not preferentially affect the living category either in the intentional or automatic condition. Instead, a prevalent deficit for the living category was found in three AD patients (14% of the group) on the intentional semantic tasks, but not on the automatic one. These findings support the view that the category effect may not be a generalised phenomenon in AD but may be restricted to a limited number of patients. The intentional/automatic dissociation of the semantic breakdown demonstrated by AD patients is discussed in relation to different theories regarding the organisation of semantic memory

    Headlong into the Polanyian dilemma : the impact of middle-class moral panic on the British Government's response to the sub-prime crisis

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    This article focuses on the discursive construction in Britain of a middle-class moral panic occasioned by the distress caused to self-styled 'responsible mortgage borrowers' by falling house prices. In the context of the move towards asset-based welfare the sub-prime crisis manifested itself most obviously in the popular consciousness as a threat to housing market wealth. The Labour government used the political space opened up by the narrative of middle-class moral panic in order to protect banks' balance sheets from the consequences of their own failed investments in mortgage-backed securities. The ensuing arrangements immunised banks from the implications of market self-regulation in the first-phase response to the sub-prime crisis while simultaneously allowing them to continue to impose the experience of market self-regulation on their customers. An increasingly asymmetric approach to banking regulation has arisen analogous to that which Karl Polanyi associated with the contradictory co-existence of market and non-market forms

    Radiowave dielectric investigation of boron compounds distribution in cultured tumour cells: Relevance to boron neutron capture therapy

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    The distribution of two main Boron neutron capture therapy (BNCT) agents, borocaptate sodium (BSH) and borono-phenylalanine (BPA), in C6 rat glioma cells has been investigated by means of radiowave dielectric spectroscopy measurements. Significant differences between cells treated with the two different boron carriers were found in the magnitude of passive electrical cell parameters. This technique offers a new procedure for the measurement of boron compounds interactions with different biological environments at cellular level and is suggested to have the potentiality for becoming an attractive tool for biodistribution studies of BNCT compounds in biological tissues
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