X-Ray Absorption Spectrum of the N2+ Molecular Ion
نویسندگان
چکیده
منابع مشابه
Nuclear quantum effects in the structure and lineshapes of the N2 near-edge x-ray absorption fine structure spectrum.
We study the relative ability of several models of x-ray absorption spectra to capture the Franck-Condon structure apparent from an experiment on gaseous nitrogen. In doing so, we adopt the Born-Oppenheimer approximation and a constrained density functional theory method for computing the energies of the x-ray-excited molecule. Starting from an otherwise classical model for the spectrum, we sys...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2020
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.124.203001