Limitation on the density-equation approach to many-electron problems

John E. Harriman
Phys. Rev. A 19, 1893 – Published 1 May 1979
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Abstract

The density equation proposed by Nakatsuji assumes a matrix form when a basis set is introduced. The matrix equation is shown to have highly degenerate solutions for almost any value of the energy, and thus to provide little useful information in the absence of N-representability constraints. The imposition of such constraints is also considered, and approximate constraints are predicted to be of little value.

  • Received 25 September 1978

DOI:https://doi.org/10.1103/PhysRevA.19.1893

©1979 American Physical Society

Authors & Affiliations

John E. Harriman

  • Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin 53706

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Issue

Vol. 19, Iss. 5 — May 1979

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