Efficient simultaneous reverse Monte Carlo modeling of pair-distribution functions and extended x-ray-absorption fine structure spectra of crystalline disordered materials

Journal of Chemical Physics

Volumn 136, Issue 7, 2012, Pages

  Németh, Károly ^a   Chapman, Karena W ^a   Balasubramanian, Mahalingam ^a   Shyam, Badri ^a   Chupas, Peter J ^a   Heald, Steve M ^a   Newville, Matt ^b   Klingler, Robert J ^a   Winans, Randall E ^a   Almer, Jonathan D ^a   Sandi, Giselle ^a   Srajer, George ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CLUSTERS; CHEMICAL DISORDER; DISCRETIZATIONS; DISORDERED MATERIALS; EFFICIENT IMPLEMENTATION; EXAFS; FINE STRUCTURES; MODELING APPROACH; PAIR DISTRIBUTION FUNCTIONS; PATH LENGTH; Q-DEPENDENCE; REAL-SPACE; REVERSE MONTE CARLO MODELING; SCATTERING CROSS SECTION; SUBSEQUENT REDUCTION;

ATOMS; MONTE CARLO METHODS;

DISTRIBUTION FUNCTIONS;

EID: 84857549457     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3684547     Document Type: Article

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