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 37
... constraints ( the hamiltonian of the spin system ) and a given unit - cell . This approach , developed by Lacorre [ 4 ] , has proved to be very effective to solve the structure of several highly frustrated insulating compounds for which ...
... constraints ( the hamiltonian of the spin system ) and a given unit - cell . This approach , developed by Lacorre [ 4 ] , has proved to be very effective to solve the structure of several highly frustrated insulating compounds for which ...
Page 60
... constraint . The final solution is then a balance between these two often opposing constraints . What is not established however is that H is the correct restraining function to use in every case : in the MC method use of equation ( 3 ) ...
... constraint . The final solution is then a balance between these two often opposing constraints . What is not established however is that H is the correct restraining function to use in every case : in the MC method use of equation ( 3 ) ...
Page 127
... constraints be introduced in order to reduce the number of independent parameters . These can be : • The symmetry constraints as obtained from the macroscopic theory of Bertaut [ 7 ] • Constraints to ensure the same magnetic moments ...
... constraints be introduced in order to reduce the number of independent parameters . These can be : • The symmetry constraints as obtained from the macroscopic theory of Bertaut [ 7 ] • Constraints to ensure the same magnetic moments ...
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Acta Cryst algorithm applications approach atoms Bayesian beam Bragg peaks calculated configuration constraints coordinates corresponding cost function cross-section crystallographic Data Anal data analysis data set defined determined diffraction data diffractometer elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity interpolation inverse ISIS likelihood function magnetic structure matrix MaxEnt Reconstruction Maximum Entropy McGreevy measured method molecular Momentum Transfer MoO3 neutron diffraction neutron scattering normalisation normalization obtained optimisation optimization problems parameters Patterson map performed Phys plot positive powder diffraction presented at Neutron prior probability procedure Qmaz quasielastic refinement reflectivity data resolution function ROTAX Rutherford Appleton Laboratory sample scan Scatt scattering law shown simulated annealing single crystal solution spectra spectrometer spectrum statistical structure factor symmetry temperature time-of-flight truncation UNIRAS unit cell vanadium vector wavelength workspace