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Ab Initio Simulations for the Ion-Ion Structure Factor of Warm Dense Aluminum

✍ Scribed by Rüter, Hannes R.; Redmer, Ronald


Book ID
125424466
Publisher
The American Physical Society
Year
2014
Tongue
English
Weight
598 KB
Volume
112
Category
Article
ISSN
0031-9007

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Computer simulations of dilute aqueous solutions of Ca\*+ have been performed with a strictly two-body ab initio ion-water potential and an effective ab initio pair potential. The latter includes many-body effects in an average way relying on a continuum polarixable model for the solvent. With the t