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 …
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