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Determination of Atomic and Structural Properties from Experimental Charge Distributions

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The Application of Charge Density Research to Chemistry and Drug Design

Part of the book series: NATO ASI Series ((NSSB,volume 250))

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Abstract

Science is classification, A discipline begins with the empirical classification of observations. It yields to science when these observations are classified in such a way as to reflect the structure imposed on a system by the physics that governs its behaviour. The structure may be real or abstract. An example of abstract structure, as determined by the properties of Hilbert space and associated linear operators, is the classification of a given quantum state in terms of the eigenvalues of the maximal commuting set of operators predicted by quantum mechanics to be the observables for that state. In the Russell-Saunders coupling scheme for example, each atomic state is classified by the eigenvalues of the observables H, Ĺ2, Ĺz, Ŝ2, Ŝz2 and Ĵz). In the limiting case, prediction and classification are synonymous and the classification is based on what physics predicts can be observed.

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© 1991 Plenum Press, New York

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Rader, R.F.W., Laidig, K.E. (1991). Determination of Atomic and Structural Properties from Experimental Charge Distributions. In: Jeffrey, G.A., Piniella, J.F. (eds) The Application of Charge Density Research to Chemistry and Drug Design. NATO ASI Series, vol 250. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-3700-7_3

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  • DOI: https://doi.org/10.1007/978-1-4615-3700-7_3

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-0-306-43880-6

  • Online ISBN: 978-1-4615-3700-7

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