Sx. Tian et al., AN INVESTIGATION OF ELECTRON MOMENTUM SPECTROSCOPY FOR ETHANE, Journal of physics. B, Atomic molecular and optical physics, 31(9), 1998, pp. 2055-2064
The binding energies and electron momentum distributions of the five v
alence orbitals of C2H6 have been measured at high momentum resolution
. The measured binding energy spectrum has been compared favourably wi
th the results of previously published experimental data, theoretical
calculations and outer-valence Green function method calculation of th
is work. The measured momentum profiles have been quantitatively compa
red with momentum distributions predicted by Snyder and Basch molecula
r wavefunctions, self consistent field (SCF) wavefunctions up to the n
ear-Hartree-Fock limit, density functional theory calculations and exp
erimental data (Dey et al 1976 J. Electron Spectrosc. Relat. Phenom. 9
397). They are found to be in excellent agreement with Snyder and Bas
ch molecular wavefunctions and density functional theory calculations,
especially for the 3a(1g) orbital. The density maps for oriented C2H6
molecule in position and momentum space are presented.