Abstract

We calculate inelastic neutron-scattering intensities of methylene chloride for cold neutrons from molecular-dynamics (MD) simulations and compare them with experimental data. To obtain realistic scattering intensities, the effect of multiple scattering is taken into account by a Monte Carlo (MC) simulation, using the dynamic structure factor calculated from our MD simulations as input. The MD simulations of methylene chloride are performed with the same potentials as in Part I of this work. The dynamic structure factor is calculated using fast correlation algorithm (FCA), which is based on the fast-Fourier-transform (FFT) algorithm and the Wiener-Khinchin theorem for discrete functions.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.