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Computational Techniques

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Part of the book series: Physics of Solids and Liquids ((PSLI))

Abstract

A key feature of LDA is the use of a potential which is a local function of the density to approximate the effects of exchange and correlation. This local function must be chosen well in order for the theory to be accurate and useful. In this section we summarize some of the many approaches which have been applied to this problem. First we recall the definitions of some of the terms which are used:

  • E xc is the total exchange-correlation energy of the system of N electrons.

  • ε xc (n 0) is the average energy per electron from exchange-correlation in a uniform electron gas of density n 0.

  • EquationSource % MathType!MTEF!2!1!+- % feaagCart1ev2aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn % hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr % 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4rqqrFfpeea0xe9Lq-Jc9 % vqaqpepm0xbba9pwe9Q8fs0-yqaqpepae9pg0FirpepeKkFr0xfr-x % fr-xb9adbaqaaeGaciGaaiaabeqaamaabaabaaGcbaaeaaaaaaaaa8 % qacaWGwbWdamaaBaaaleaapeGaamiEaiaadogaa8aabeaak8qacaGG % OaGabmOCayaalaGaaiykaaaa!3BAA! $${V_{xc}}(\vec r) $$ is the potential energy for a single electron from exchange-correlation.

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© 1990 Springer Science+Business Media New York

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Mahan, G.D., Subbaswamy, K.R. (1990). Computational Techniques. In: Local Density Theory of Polarizability. Physics of Solids and Liquids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-2486-5_3

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  • DOI: https://doi.org/10.1007/978-1-4899-2486-5_3

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4899-2488-9

  • Online ISBN: 978-1-4899-2486-5

  • eBook Packages: Springer Book Archive

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