Theoretical study of (e, 2e) triple differential cross sections of tetrahydrofuran using multicenter distorted-wave method.

Abstract

We present in this work a theoretical study of the triple differential cross sections for electron-impact single ionization of 12a' and 9b orbitals of a tetrahydrofuran molecule. The calculations are performed by the multicenter distorted-wave (MCDW) method in coplanar asymmetric kinematics with an incident electron energy of 250 eV, where previous (e, 2e) experiments and theories are available for comparison. The present calculations reproduce the experimental measurements satisfactorily, indicating that the MCDW method can be easily extended to study biomolecules with sufficiently high calculation efficiency.