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Molecular Dynamics Simulation of Liquid Water: Hybrid Density Functionals †

✍ Scribed by Todorova, Teodora; Seitsonen, Ari P.; Hutter, Jürg; Kuo, I-Feng W.; Mundy, Christopher J.


Book ID
120209407
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
120 KB
Volume
110
Category
Article
ISSN
0022-3654

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Hybrid molecular dynamics: an approach t
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A new molecular dynamics technique is described which addresses the special problems intrinsic to low density simulations, particularly fluids in the gas phase. This technique incorporates aspects of both the conventional hard spheres and continuous potential molecular dynamics algorithms. The diffi