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- W1968734489 abstract "On etablit, dans le cadre de la theorie des perturbations au second ordre, l'expression formelle de la correction a l'energie d'un solide, associee aux effets “non muffin-tin”. On applique cette formule au cas des metaux simples, ou la densite auto-coherente est obtenue par la theorie du potentiel modele de Shaw. On obtient ainsi une evaluation approximative mais systematique de ces corrections qui n'ont jamais ete calculees exactement a notre connaissance. Elles sont tres faibles dans l'ensemble des metaux etudies, n'entraǐnant pas une variation de plus de 3% sur l'energie de cohesion et de 1% sur le volume d'equilibre.The formal expression for the non muffin-tin corrections to the energy of a solid is derived using second order perturbation theory. The formula is then applied to simple metals were the self-consistent electron density is obtained from a model potential, as proposed by Shaw. An approximative, but systematic estimate of these corrections, which have never been exactly calculated, is carried out. They are very small for all the metals investigated and induce variations not larger than 3% on the cohesive energy and 1% on the equilibrium volume." @default.
- W1968734489 created "2016-06-24" @default.
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- W1968734489 date "1980-03-01" @default.
- W1968734489 modified "2023-09-26" @default.
- W1968734489 title "Estimation des corrections “non muffin-tin” à l'équation d'état des métaux simples" @default.
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- W1968734489 doi "https://doi.org/10.1002/pssb.2220980138" @default.
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