scholarly journals Convergence of Density Expansions of Correlation Functions and the Ornstein–Zernike Equation

2018 ◽  
Vol 19 (4) ◽  
pp. 1115-1150 ◽  
Author(s):  
Tobias Kuna ◽  
Dimitrios Tsagkarogiannis
Keyword(s):  
Correlation Functions ◽  
Density Expansions

FIDDLE. Simultaneous Indexing and Structure Solution from Powder Diffraction Data using a Genetic Algorithm and Correlation Functions

2019 ◽  
Author(s):  
Carmen Guguta ◽  
Jan M.M. Smits ◽  
Rene de Gelder
Keyword(s):  
Genetic Algorithm ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Correlation Functions ◽  
Cross Correlation ◽  
Simultaneous Optimization ◽  
Powder Diffraction Data ◽  
Structure Solution ◽  
Matching Technique

A method for the determination of crystal structures from powder diffraction data is presented that circumvents the difficulties associated with separate indexing. For the simultaneous optimization of the parameters that describe a crystal structure a genetic algorithm is used together with a pattern matching technique based on auto and cross correlation functions.<br>

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