Interionic potentials from ab initio molecular dynamics: The alkaline earth oxides CaO, SrO, and BaO

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 5704-5717

  Aguado, Andrés ^a   Bernasconi, Leonardo ^a   Madden, Paul A ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE EARTH METAL COMPOUNDS; BARIUM COMPOUNDS; CONDENSATION REACTIONS; ELASTICITY; LIME; PHONONS; POLARIZATION; PRESSURE EFFECTS; STRESSES; STRONTIUM COMPOUNDS; THERMAL EFFECTS; THERMAL EXPANSION;

ASPHERICAL ION MODEL; BARIUM OXIDES; DIPOLE POLARIZATION; QUADRUPOLE POLARIZATION; STRESS TENSOR; STRONTIUM OXIDES;

MOLECULAR DYNAMICS;

EID: 0037397656     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1556074     Document Type: Article

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