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

DOI10.1016/0010-4655(91)90084-XMaRDI QIDQ1366071zbMATH OpenFDO

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

Publication date 10 November 1997

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

zbMATH Keywords

electronic structure calculationelectron gaszero temperatureFORTRAN codeexchange-correlation potential and energy densitylocal spin density approximationspin polarisations

Mathematics Subject Classification ID

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

Cites work

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

Cited in

(1)

• Energy-adaptive Riemannian optimization on the Stiefel manifold

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