XXVII. A calculation of the cohesive energies and pressure/volume-relations of the divalent metals
- 1 March 1952
- journal article
- research article
- Published by Taylor & Francis in Journal of Computers in Education
- Vol. 43 (338) , 327-337
- https://doi.org/10.1080/14786440308520163
Abstract
A method is described for calculating the energy of the lowest state ψ 0 of a divalent metal. This approximates to the well-known cellular method, but assumptions made regarding ψ 0, together with the use of a single empirical ionization potential, render unnecessary the explicit calculation of an ion-core field. An expression for the total energy of the valence electrons is obtained, the free-electron approximation being used tentatively in evaluating all terms except the energy of the lowest state, and this is then applied to the calculation of the atomic radii, compressibilities, and cohesive energies of the divalent metals. The change of volume for a range of pressures up to 100 000 kg/cm2 is also calculated and found to be in good agreement with the experimental data of Bridgman.Keywords
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