Representation of lowest-order density-gradient correction to kinetic energy in light molecules at equilibrium

R. Pucci and N. H. March
Phys. Rev. A 35, 4428 – Published 1 May 1987
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Abstract

For N2, O2, and F2 homonuclear molecules, for six neutral diatomic molecules of the form XH, where X ranges from Be to F, and for the isoelectronic series HF, H2O, NH3, and CH4, it is shown that a substantial part of the accurate numerical calculations reported by Allan et al. [J. Chem. Phys. 83, 4562 (1985)] and by Lee and Ghosh [Phys. Rev. A 33, 3506 (1986)] can be interpreted in terms of basic scaling laws.

  • Received 3 December 1986

DOI:https://doi.org/10.1103/PhysRevA.35.4428

©1987 American Physical Society

Authors & Affiliations

R. Pucci

  • Department of Physics, University of Catania, Corso Italia 57, 95129 Catania, Italy

N. H. March

  • Theoretical Chemistry Department, University of Oxford, 1 South Parks Road, Oxford OX1 3TG, England

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Vol. 35, Iss. 10 — May 1987

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