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AbstractAbstract
[en] Liquids that involve changes in electronic structure are difficult to simulate using pairwise additive forces. In this paper we use a semiempirical model of the internal structure of atoms in order to simulate simultaneously electronic and nuclear dynamics of fluids. The proposed excitonic phase of mercury is critically examined with these models
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Source
Frontiers of quantum Monte Carlo conference; Los Alamos, NM (USA); 3-6 Sep 1985; CONF-8509213--
Record Type
Journal Article
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Conference
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