Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (10): 874-876.doi: 10.3866/PKU.WHXB19981003
• Communication •
Pang Wen-Ning, Shang Ren-Cheng, Gao Nai-Fei, Zheng Yan-You, Chen Xue-Jun
We report here the first measurements of momentum profiles for the propane (C3H8)valence orbitals using high resolution (△E=0.9 eV FWHM, △p=0.1 a.u.) (e,2e) electron momentum spectrometer. The impact energy was 1200 eV with binding energy l206 to 1232 eV and symmetric non-coplanar kinematics was employed. The inner-valence spectrum is in agreement with published photoelectron data. Excited ionic states corresponding to many-body electron correlation processes were observed for propane above 25 eV. The experimental momentum profiles were compared with calculations obtained using Hartree-Fock method with the minimum basis set and a high-level basis set, and also using density functional theory (DFT) local density and nonlocal density methods with a high level basis set. The agreement between theory and experiment for the shape of orbital electron momentum distributions is generally good.
Pang Wen-Ning, Shang Ren-Cheng, Gao Nai-Fei, Zheng Yan-You, Chen Xue-Jun. Measurement of Momentum Profiles for Propane valence Orbitals(2b2)[J].Acta Phys. -Chim. Sin., 1998, 14(10): 874-876.
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