کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5376809 1504330 2006 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Relativistic calculation of the SeH2 and TeH2 photoelectron spectra
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Relativistic calculation of the SeH2 and TeH2 photoelectron spectra
چکیده انگلیسی
Photoelectron (PE) spectra provide detailed insight into the electronic structure of atoms, molecules and solids. Hereby electron correlation and relativistic effects influence the structure of the PE spectrum in a complicated way necessitating a consistent theoretical treatment. By embedding the one-particle propagator technique in a four-component framework the interplay between relativistic and correlation effects can be described correctly. In this article the Dirac-Hartree-Fock algebraic diagrammatic construction scheme (DHF-ADC) together with recent applications is reviewed and fully relativistic PE spectra of SeH2 and TeH2 in combination with basis set studies are presented.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 329, Issues 1–3, 26 October 2006, Pages 256-265
نویسندگان
,