Are lithium hydride clusters purely ionic? Study using model potentials and density-functional theory

Journal of Chemical Physics

Volumn 115, Issue 9, 2001, Pages 4070-4079

  Bertolus, M ^a   Brenner, V ^a   Millie P ^a  

^a CEA CE Cadarache   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLIZATION; ELECTRONIC STRUCTURE; HYDRIDES; ISOMERS; MATHEMATICAL MODELS; MONTE CARLO METHODS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT); POTENTIAL ENERGY SURFACES;

LITHIUM COMPOUNDS;

EID: 0035449259     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1389474     Document Type: Article

References (28)