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Kinetic-energy functionals via Padé approximations

Andrew E. DePristo and Joel D. Kress
Phys. Rev. A 35, 438(R) – Published 1 January 1987
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Abstract

A representation of the kinetic-energy functional as the product of a homogeneous-gas functional and a Padé approximation in the density gradient is developed and shown to describe accurately the kinetic energy of atomic systems.

  • Received 2 June 1986

DOI:https://doi.org/10.1103/PhysRevA.35.438

©1987 American Physical Society

Authors & Affiliations

Andrew E. DePristo and Joel D. Kress

  • Department of Chemistry, Iowa State University, Ames, Iowa 50011

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Vol. 35, Iss. 1 — January 1987

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