Thomas—Fermi Homonuclear Diatomic Molecule. I. Method of Solution and Atomic Interaction Potential
- 15 June 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 36 (12), 3325-3329
- https://doi.org/10.1063/1.1732464
Abstract
The Thomas—Fermi equation, without exchange, has been solved numerically for the neutral diatomic homonuclear molecule. The method of solution and results of the energy integrations are given. Scaling of the nuclear separation parameter and of the energy units permits calculation of a universal interaction potential applicable to all atomic numbers at all separations. Electronic energies are estimated to have a numerical precision of better than 1 part in 104.Keywords
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