Neutron Scattering Data Analysis 1990, Proceedings of the Conference on Neutron Scattering, 14-16 March 1990, Rutherford Appleton Laboratory, UKM. W. Johnson |
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Page 25
... Markov chain , with constant transition probabilities . The states of the chain are points in the D.N dimensional configuration space of the system of dimension D. The object of the method is to generate a Markov chain in which ...
... Markov chain , with constant transition probabilities . The states of the chain are points in the D.N dimensional configuration space of the system of dimension D. The object of the method is to generate a Markov chain in which ...
Page 27
... Markov chain . The number L of MC cycles to perform at each temperature is determined by the concept of quasi ... Markov chains at low temperature , when the acceptance rate drops down , L , must however be ceiled by some constant Lmax ...
... Markov chain . The number L of MC cycles to perform at each temperature is determined by the concept of quasi ... Markov chains at low temperature , when the acceptance rate drops down , L , must however be ceiled by some constant Lmax ...
Page 28
... Markov chains ; they proved that for update functions of the form : T1 = Y log ( t + to + 1 ) t = 0,1,2 , .... where to is any parameter satisfying 1 to ∞ , the Markov chain is strongly ergodic ( i.e. any point in the configuration ...
... Markov chains ; they proved that for update functions of the form : T1 = Y log ( t + to + 1 ) t = 0,1,2 , .... where to is any parameter satisfying 1 to ∞ , the Markov chain is strongly ergodic ( i.e. any point in the configuration ...
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additional algorithm allows analysis angle applications approach atoms average beam Bragg calculated cell combinatorial optimization configuration constant coordinates correction corresponding cost counts cross-section crystal deconvolution defined density dependent described detector determined diffraction direct display distribution effects elastic scattering energy error estimate example experiment experimental Figure final Fourier function give given inelastic intensity ISIS known limit magnetic Maximum Entropy measured method neutron neutron scattering normalization obtained optimization parameters particular peak performed Phys physical plot positive possible powder presented prior probability problem procedure radial distribution functions range reconstruction References refinement reflections resolution sample scale scan shown shows simulated annealing single solution space spectrum standard statistical structure factor temperature transfer transform unit usually vanadium vector wavelength