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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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