TY - JOUR
T1 - Second-order Green's function study of the valence band formation of linear alkanes
AU - Deleuze, Michael
AU - Delhalle, Joseph
AU - PICKUP, [No Value]
PY - 1992
Y1 - 1992
N2 - Size-consistent many-body corrections are introduced in the simulation of the X-ray photoelectron spectra of selected alkane compounds by means of the direct Green's function approach. Second-order calculations, performed using the minimal STO-3G basis set, are shown to provide, for both band positions and photoionization intensities, qualitative but significant improvements in the simulated spectra.
AB - Size-consistent many-body corrections are introduced in the simulation of the X-ray photoelectron spectra of selected alkane compounds by means of the direct Green's function approach. Second-order calculations, performed using the minimal STO-3G basis set, are shown to provide, for both band positions and photoionization intensities, qualitative but significant improvements in the simulated spectra.
U2 - 10.1016/0368-2048(92)87019-I
DO - 10.1016/0368-2048(92)87019-I
M3 - Article
SN - 0368-2048
VL - 60
SP - 37
EP - 56
JO - Journal of Electron Spectroscopy and Related Phenomena
JF - Journal of Electron Spectroscopy and Related Phenomena
IS - 1
ER -