SpecSwap-RMC: A novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties

Journal of Physics Condensed Matter

Volumn 22, Issue 13, 2010, Pages

  Leetmaa, Mikael ^a   Wikfeldt, Kjartan Thor ^a   Pettersson, Lars G M ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EXPENSE; COMPUTER TIME; CONFIGURATION SPACE; DISCRETE SETS; EXAFS; EXAFS DATA; LOCAL CONFIGURATIONS; LOCAL STRUCTURE; PROPERTY DATA; REVERSE MONTE CARLO APPROACHES; REVERSE MONTE CARLO MODELING; SAMPLE SETS; SIMULATED SYSTEM; STRUCTURE DETERMINATION; STRUCTURE MODELING; SWAP MOVES; X-RAY ABSORPTION SPECTRUM;

ABSORPTION SPECTROSCOPY; COST REDUCTION; ELECTROMAGNETIC WAVE ABSORPTION; MONTE CARLO METHODS; WAVE FUNCTIONS;

STRUCTURAL PROPERTIES;

EID: 77949756814     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/13/135001     Document Type: Article

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