Abstract
In this chapter we shall be concerned once again with the very basis of the CFF concept. It will be recalled that this concept way be formulated as: choice of analytical forms of potential energy functions for a faaily of molecules; selection of initial values of the parameters of the energy functions; calculation of any desired observable property of each wolecule; optimisation of the energy parameters to provide a better fit between calculated and weasured observables. We shall treat here this concluding step.
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© 1977 Springer-Verlag Berlin · Heidelberg
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Melberg, S., Rasmussen, K. (1977). Optimisation of Energy Parameters. In: The Consistent Force Field. Lecture Notes in Chemistry, vol 3. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93063-8_7
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DOI: https://doi.org/10.1007/978-3-642-93063-8_7
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-08344-3
Online ISBN: 978-3-642-93063-8
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