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Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable r...

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書目詳細資料
發表在:J Chem Theory Comput
Main Authors: Baiardi, A., Paoloni, L., Barone, V., Zakrzewski, V.G., Ortiz, J.V.
格式: Artigo
語言:Inglês
出版: 2017
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC5732571/
https://ncbi.nlm.nih.gov/pubmed/28521087
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00958
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