Publication
International Journal of Quantum Chemistry
Paper

Hierarchy equations for reduced density matrices in different representations

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Abstract

We derive exact relationships for the reduced density matrices in representations where the transformation matrix is a product of one‐body transformation matrices. We specialize to the momentum and onebody energy representations. By decoupling the equations we are able to write the Hartree‐Fock equation in terms of the first‐order density matrix in an arbitrary representation. Applications to reduced local energy and the correlation problem are discussed. Copyright © 1986 John Wiley & Sons, Inc.

Date

19 Oct 2004

Publication

International Journal of Quantum Chemistry

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