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Journal article

Using classical many-body structure to determine electronic structure: An approach using k-electron distribution functions

Abstract

The quantum N-electron structure problem is expressed as a classical N-body structure problem plus a quantum many-body problem with a reduced number of variables. This forms the foundation of a method for solving the electronic structure problem using k-electron distribution functions instead of many-electron wave functions. The method represents a unified approach to the entire hierarchy of generalized density-functional theories, beginning with standard density-functional theory (k=1) and pair density-functional theory (k=2) and culminating in an exact treatment of the entire N-electron system (k=N).

Authors

Ayers PW

Journal

Physical Review A, Vol. 74, No. 4,

Publisher

American Physical Society (APS)

Publication Date

October 1, 2006

DOI

10.1103/physreva.74.042502

ISSN

2469-9926

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