Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal

Physical Review B - Condensed Matter and Materials Physics

Volumn 64, Issue 10, 2001, Pages

  Luaña, Víctor ^a   Recio, J M ^a   Pendás, A Martín ^a   Blanco, M A ^a   Pueyo, L ^a   Pandey, Ravindra ^b  

^a UNIVERSITY OF OVIEDO   (Spain)

^b MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ION; MAGNESIUM OXIDE;

ARTICLE; CALCULATION; CRYSTAL; CRYSTAL STRUCTURE; ELECTRIC POTENTIAL; MODEL; PURIFICATION; QUANTUM CHEMISTRY;

EID: 0035444923     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.104102     Document Type: Article

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