التفاصيل البيبلوغرافية
| العنوان: |
Regularized weighted sine least-squares spectral analysis for gas electron diffraction data. |
| المؤلفون: |
Tikhonov, Denis S. |
| المصدر: |
Journal of Chemical Physics; 11/7/2023, Vol. 159 Issue 17, p1-11, 11p |
| مصطلحات موضوعية: |
ELECTRON gas, GAS analysis, RADIAL distribution function, ELECTRON diffraction, NEUTRON diffraction, REGULARIZATION parameter, X-ray diffraction |
| مستخلص: |
Here, we present a new approach for obtaining radial distribution functions (RDF) from the electron diffraction data using a regularized weighted sine least-squares spectral analysis. It allows for explicitly transferring the measured experimental uncertainties in the reduced molecular scattering function to the produced RDF. We provide a numerical demonstration, discuss the uncertainties and correlations in the RDFs, and suggest a regularization parameter choice criterion. The approach is also applicable for other diffraction data, e.g., for x-ray or neutron diffraction of liquid samples. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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