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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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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | 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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