Constraints for hierarchies of many electron distribution functions |
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Authors: | Paul W Ayers |
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Institution: | (1) Department of Chemistry, McMaster University, Hamilton, ON, Canada, L8S 4M1 |
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Abstract: | Some inequalities that constrain the reconstruction of k-electron distribution functions from lower-order distribution functions are presented. These inequalities are related to
the N-representability conditions on electron distributions functions and they have two basic types: (1) general N-representability inequalities, which are very powerful but difficult to apply and (2) generalized “Davidson” inequalities,
which are less powerful but which may be more facile in computational implementations. A constraint on the exchange-correlation
hole is also presented. |
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Keywords: | |
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