Benchmarking Core-Level X-ray Absorption with MRSF-TDDFT, RASPT2, and Stochastic GAS Using the XABOOM Set

ChemRxiv 2026 Preprint Open access

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Authors: Marc Alías‐Rodríguez, Francesco Montorsi, Woojin Park, Oskar Weser, Luca Bonfirraro, Artur Nenov, Marco Garavelli, Cheol Ho Choi, Giovanni Li Manni, Francesco Segatta, Miquel Huix‐Rotllant
DOI: 10.26434/chemrxiv.15003416/v1
Cited by: 1

Fields of Study & Subjects

Medical Imaging Techniques and Applications Advanced X-ray Imaging Techniques Enzyme Structure and Function

Publication details

Journal / source
ChemRxiv
Publisher
American Chemical Society (ACS)
Publication date
17 May 2026
Document type
Preprint