Parameterised local spin density exchange-correlation energies and potentials for electronic structure calculations. I: Zero temperature formalism

DOI10.1016/0010-4655(91)90084-XzbMath0875.76734MaRDI QIDQ1366071

J. M. MacLaren, M. E. McHenry, D. P. Clougherty, M. M. Donovan

Publication date: 10 November 1997

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

FORTRAN codezero temperatureelectron gaselectronic structure calculationexchange-correlation potential and energy densitylocal spin density approximationspin polarisations

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to fluid mechanics (76-04) Ionized gas flow in electromagnetic fields; plasmic flow (76X05)

Related Items (1)

Energy-adaptive Riemannian optimization on the Stiefel manifold

Cites Work

• A Simplification of the Hartree-Fock Method
• Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion

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