Investigation of Compton Profile of Molecular Propane

The experimental Compton profile of the propane molecule is measured at an incident photon energy of 20 keV based on the third generation synchrotron radiation, and the statistical accuracy of 0.2% is achieved near p_z=0. The calculated Compton profile by the density functional theory with aug-cc-pVTZ basis set reproduces the experimental observation very well. The joint experimental and theoretical investigation provides the benchmark data of the electronic structure of propane.