## Neutron Scattering Data Analysis 1990: Invited and Contributed Papers from the Conference on Neutron Scattering Data Analysis Held at The Rutherford Appleton Laboratory, Chilton, 14-16 March 1990 |

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Page 165

Monte Carlo and Molecular Dynamics simulations based on an interatomic

potential sometimes agree well with experiment (though comparison is normally

made with

the ...

Monte Carlo and Molecular Dynamics simulations based on an interatomic

potential sometimes agree well with experiment (though comparison is normally

made with

**radial distribution functions**rather than structure factors), but usuallythe ...

Page 173

Many models that use particular features, e.g. peak positions and coordination

numbers from

independent. If a potential exists that, when used in an MC or MD simulation, also

...

Many models that use particular features, e.g. peak positions and coordination

numbers from

**radial distribution functions**, can be misleading. 2. RMC is potentialindependent. If a potential exists that, when used in an MC or MD simulation, also

...

Page 282

Invited and Contributed Papers from the Conference on Neutron Scattering Data

Analysis Held at The Rutherford Appleton Laboratory, Chilton, 14-16 March 1990

M. W. Johnson. radial basis functions, 9 ZnCl2, 176

Invited and Contributed Papers from the Conference on Neutron Scattering Data

Analysis Held at The Rutherford Appleton Laboratory, Chilton, 14-16 March 1990

M. W. Johnson. radial basis functions, 9 ZnCl2, 176

**radial distribution function**, ...### What people are saying - Write a review

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### Common terms and phrases

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 detector bank determined diffraction data diffractometer distribution function elastic scattering energy error bars example experiment experimental Figure Fourier transform Gaussian GENIE GENIE-V3 histogram inelastic instrument intensity inverse ISIS least squares likelihood function magnetic structure magnetisation density matrix MaxEnt reconstruction Maximum Entropy McGreevy measured method molecular Monte Carlo neutron diffraction neutron scattering normalisation normalization obtained optimisation optimization problems parameters Patterson map performed Phys plot positive powder diffraction presented at Neutron prior procedure quasielastic radial distribution functions refinement reflectivity data resolution function ROTAX Rutherford Appleton Laboratory sample scan scattering law shown simulated annealing single crystal solution spectra spectrometer spectrum statistical structure factor symmetry technique temperature time-of-flight truncation UNIRAS unit cell vanadium vector wavelength workspace