16 research outputs found

    The Potential Energy Surface in Molecular Quantum Mechanics

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    The idea of a Potential Energy Surface (PES) forms the basis of almost all accounts of the mechanisms of chemical reactions, and much of theoretical molecular spectroscopy. It is assumed that, in principle, the PES can be calculated by means of clamped-nuclei electronic structure calculations based upon the Schr\"{o}dinger Coulomb Hamiltonian. This article is devoted to a discussion of the origin of the idea, its development in the context of the Old Quantum Theory, and its present status in the quantum mechanics of molecules. It is argued that its present status must be regarded as uncertain.Comment: 18 pages, Proceedings of QSCP-XVII, Turku, Finland 201

    Social networking in family businesses in a local economy

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    Small, family owned businesses make considerable contributions to local economies. The importance of social networks to their development is also well established. This paper explores the different types of distinct, but interlocking, social networks of a rural business family, focussing upon the interaction between family, business and friendship networks. It presents a multi-rational logic framework to consider how the differing logics of each of these network influences the development and behaviour of family businesses. The changes in networks over time and between generations of the family are also analysed and gaps or structural holes within the networks identified. Implications for research and policy are then set out.div_BaM32pub4755pub
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