کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5395853 1505737 2014 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
High resolution (e, 2e) spectroscopy of dimethyl ether
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
High resolution (e, 2e) spectroscopy of dimethyl ether
چکیده انگلیسی
We report high-resolution (e, 2e) spectra of dimethyl ether (H3COCH3) in combination with high-level theoretical calculations. The observed binding energy spectra and momentum distributions were compared with Hartree-Fock, density functional theory (DFT), and symmetry-adapted-cluster configuration-interaction (SAC-CI) calculations. In general, the theoretical momentum distributions based on Dyson orbital (DO) and Kohn-Sham orbital (KSO) agree well with the experimental momentum distributions except the discrepancies in the low momentum regions of 2b1 and 1a2 orbitals. The present high resolution experimental data provide a benchmark for the future rigorous theories.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 193, March 2014, Pages 1-5
نویسندگان
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