A calculation of the Coulomb correlation energy Ufffor the lanthanide series of rare earth metals
- 1 November 1975
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 5 (11) , L197-L199
- https://doi.org/10.1088/0305-4608/5/11/006
Abstract
Recently it has been shown by Cox et al. (ibid., vol.4, p.807 (1975)) that the effective Coulomb correlation energy of two 3d electrons in an iron series transition metal is approximated by the change in self-consistent Hartree-Fock eigenenergy of a local 3d state that occurs when the occupation of the 3d shell is altered by one. This result has now been applied to the lanthanide series of rare earth metals, and a value of effective Coulomb correlation energy Uff for the 4f electrons deduced. Uff is found to be about 9 eV and nearly constant across the table.Keywords
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