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Cited by 374

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Orthonormal orbitals for the representation of an arbitrary density

Harriman, John E.·1981·Physical Review A

Abstract

An alternative to the Gilbert construction is presented. It is shown that for any nonnegative, normalized density an arbitrary number of orthonormal orbitals can be constructed with squares which sum, with minimal restrictions on the occupation numbers, to the given density. In three dimensions substantial freedom remains in the choice of orbitals within the basic scheme. The kinetic-energy density obtained includes the Weizs\"acker term and another term which, in simple cases, is proportional to the cube of the density.

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Metadata

Authors
Harriman, J. E.
Venue
Physical Review A
Published
1981-08-01
Volume
24
Issue
2
Pages
680-682
ISSN
0556-2791 (ISSN-L)
OpenAlex
W2017504957
Cited by
374
References
5
FWCI
8.60
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Orthonormal orbitals for the representation of an arbitrary density. https://app.cochat.ai/papers/10.1103/physreva.24.680
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Harriman, J. E. (1981). Orthonormal orbitals for the representation of an arbitrary density. Physical Review A. https://doi.org/10.1103/physreva.24.680

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