Static simulations of CaF2 polymorphs.
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Biomedical subjects
V Luaña
Publications and source records attributed to V Luaña.
Pressure-induced B1-B2 phase transition in alkali halides: General aspects from first-principles calculations.
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Local geometries and stabilities of Cu+ centers in alkali halides.
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Low- and high-pressure ab initio equations of state for the alkali chlorides.
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Quantum-mechanical modeling of the high-pressure state equations of ZnO and ZnS.
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Quantum-mechanical description of ions in crystals: Electronic structure of magnesium oxide.
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Simulation of ionic crystals: The ab initio perturbed-ion method and application to alkali hydrides and halides.
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Simulation of ionic transition-metal crystals: The cluster model and the cluster-lattice interaction in the light of the theory of electronic separability.
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