Jh. Wang et Vh. Smith, EVALUATION OF CROSS-SECTIONS FOR X-RAY AND HIGH-ENERGY ELECTRON-SCATTERING FROM MOLECULAR-SYSTEMS, International journal of quantum chemistry, 52(5), 1994, pp. 1145-1151
An analytical and computationally efficient formalism for the evaluati
on of rotationally averaged cross sections for X-ray and high-energy e
lectron scattering from molecular systems is given. Its application fo
r both SCF and CI wave functions is discussed. (C) 1994 John Wiley & S
ons, Inc.