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

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

Program title: LSDA1 | ||

Catalogue identifier: ACBC_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 66(1991)383 | ||

Programming language: Fortran. | ||

Computer: MACINTOSH II. | ||

Operating system: MACINTOSH II (SYSTEM 6.0.3). | ||

Keywords: Solid state physics, Crystal field, Local spin density Approximation, Exchange-correlation Potential and energy Density, Electronic structure Calculation, Zero temperature. | ||

Classification: 7.3. | ||

Nature of problem:To calculate the exchange correlation potential and energy density for a spin polarised homogeneous electron gas at zero temperature. | ||

Solution method:Parameterised local spin density functionals for the exchange- correlation potential and energy density for the homogeneous electron gas at zero temperature are presented. These forms have been fitted from data at various densities and spin polarisations. | ||

Running time:Approx. 1 CPU second per density. |

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