First-principle quantum calculations of the neutron cross sections of the hydrogen liquids

Orateur : E. GUARINI (Univ. Firenze)

We show that calculations of the neutron double differential cross section of liquid H2 and D2 can be performed accounting for the quantum nature of these fluids and ensuring the physical consistency of their computed spectral properties. The method, based on the use of quantum simulation results in place of classical models for the translational dynamics, immediately avoids the uncomfortable but typical introduction of adjustable parameters, and directly provides cross section values in excellent agreement with experiment. This tool is expected to meet the increasing need of accuracy and flexibility of cross section calculations for moderating liquids, so central nowadays for both the maintenance and new design of neutron sources.

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