Configuration dependence of hopping matrix elements in the Anderson model
- 15 August 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 38 (5) , 3568-3571
- https://doi.org/10.1103/physrevb.38.3568
Abstract
In ab initio calculations of the hopping matrix element in the Anderson model, it is found that may vary by a factor of 2-8 for Mn, Ce, and U compounds when different relevant configurations are used. We give a prescription for which configuration to use in an ab initio calculation of , and we make a corresponding modification of the hopping term in the Anderson model, which can easily be implemented in methods for solving the model. We discuss how this influences the calculated properties of Ce compounds.
Keywords
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