The electronic chemical potential and the H atom in the H2 molecule
- 15 February 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (4) , 2511-2514
- https://doi.org/10.1063/1.439447
Abstract
Properties of the functional relationship between the energy and the natural orbitals and occupation numbers of a system are used to obtain an expression for the chemical potential of the electrons for the case of one or two electrons. These expressions are then used with the principle of equal orbital electronegativity to find the electron density of the hydrogen atom in the H2 molecule; the perturbed atomic potential of which that atom is the ground state is also determined.Keywords
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