Abstract
Vibrationally resolved molecular frame photoelectron angular distributions (MFPADs) of fixed-in-space molecules have been evaluated for diatomic and polyatomic molecules. Calculations have been performed by using an extension of the static-exchange density functional theory formerly developed by P. Decleva [1] and coworkers and extended in order to include the nuclear motion in the Born-Oppenheimer approximation. The method proved to be very accurate for diatomic molecules [2, 3, 5], particularly at high energy of the photoelectron. In this work, we present the results obtained for the inner shell photoionization of C2H2, NH3, CH4, CF4, BF3 and SF6.
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