Wannier function analysis for understanding disordered structures generated using car-parrinello molecular dynamics

Molecular Simulation

Volumn 28, Issue 10-11, 2002, Pages 971-979

  Lim, S H N ^a   Mcculloch, D G ^a   Merchant, A R ^a   Marks, N A ^b   Bilek, M M M ^b   Mckenzie, D R ^b  

^a RMIT UNIVERSITY   (Australia)

^b UNIVERSITY OF SYDNEY   (Australia)

Author keywords

Bonding; Boron nitride; Car Parrinello molecular dynamics; Wannier functions

Indexed keywords

BONDING; BORON COMPOUNDS; CHEMICAL BONDS; MOLECULAR DYNAMICS;

BORON NITRIDE; CAR-PARRINELLO MOLECULAR DYNAMICS; WANNIER FUNCTIONS;

FUNCTION EVALUATION;

EID: 20744457061     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/089270204000002601     Document Type: Article

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