Multicenter distorted-wave calculation for triple differential cross sections of tetrahydropyran and 1,4-dioxane molecules

Highlights: • MCDW method takes good account of the multicenter properties of the molecule. • The multicenter short-range potential plays an important role in cross section calculation. • The similar molecular structure directly affects the results of cross section calculation. We report a theoretical investigation of the (e, 2e) triple-differential cross sections of tetrahydropyran and 1,4-dioxane molecules using multicenter distorted-wave method. Previous experiments [J. Chem. Phys. 140, 214312 (2014).] with 250 eV impinging electron are available for comparison. The multicenter distorted-wave calculations well describe the measurements, especially in the binary region. It is shown that the multicenter short range potential plays an important role in the dynamics of single ionization process.