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 106
... symmetry requirements The magnetic structure factors Fm ( K ) are collected at scattering vectors K corre- sponding to nuclear Bragg peaks . Hence , the magnetisation density p ( r ) to be re- constructed † must retain the nuclear ...
... symmetry requirements The magnetic structure factors Fm ( K ) are collected at scattering vectors K corre- sponding to nuclear Bragg peaks . Hence , the magnetisation density p ( r ) to be re- constructed † must retain the nuclear ...
Page 108
... symmetry of the maximum entropy reconstruction ‡ For the sake of simplicity , and without loss of generality , let us consider any positive definite spin density map { p ( r ; ) } obeying the spatial symmetry requirements . Consider any ...
... symmetry of the maximum entropy reconstruction ‡ For the sake of simplicity , and without loss of generality , let us consider any positive definite spin density map { p ( r ; ) } obeying the spatial symmetry requirements . Consider any ...
Page 248
... symmetry coordinates . Clearly , for the purposes of comparison CLIMAX had also to offer the possibility of working entirely with symmetry coordinates , so that force constants , eigen vectors and potential energy distribution are all ...
... symmetry coordinates . Clearly , for the purposes of comparison CLIMAX had also to offer the possibility of working entirely with symmetry coordinates , so that force constants , eigen vectors and potential energy distribution are all ...
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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