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Peter Grünberg Institut – Quantum Nanoscience (PGI-3) (Forschungszentrum Jülich)
Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules
Version 1.0
Kern, Christian S.; Yang, Xiaosheng; Zamborlini, Giovanni; Mearini, Simone; Jugovac, Matteo; Feyer, Vitaliy; De Giovannini, Umberto; Rubio, Angel; Soubatch, Serguei; Ramsey, Michael G.; Tautz, F. Stefan; Puschnig, Peter, 2026, "Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules", https://doi.org/10.26165/JUELICH-DATA/YNPMLW, Jülich DATA, V1
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Description
We provide here the raw data used to produce Figures and Tables in Christian S. Kern, Xiaosheng Yang, Giovanni Zamborlini, Simone Mearini, Matteo Jugovac, Vitaliy Feyer, Umberto De Giovannini, Angel Rubio, Serguei Soubatch, Michael G. Ramsey, F. Stefan Tautz, and Peter Puschnig, "Circular dichroism in the photoelectron angular distribution of achiral molecules" (2026-05-05)
Subject Chemistry; Physics
Institute PGI-3; PGI-6
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1 to 8 of 8 Files
Fig.2.zip
ZIP Archive - 284.1 MB - Jun 9, 2026 - 1 Download
SHA-256: 9887ed51c9ef25c4d3dfbb7bb2d96964574cb8aaabb2d0c194392cc3bcdc5578
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy.
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Fig.4_Cu.zip
ZIP Archive - 35.9 MB - Jun 9, 2026 - 0 Downloads
SHA-256: a32dc6fcb1fdf99fa32b26ac4612994a63924198a1c6136ec91d35076b3ace3c
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy.
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Fig.4_molecules.zip
ZIP Archive - 289.8 MB - Jun 9, 2026 - 0 Downloads
SHA-256: dbc7f96b84fbfac91bfb3de1ef97802fd6d952a4fc5c5133e88cc0f7ca82a83b
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy.
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Fig.5_EDC.zip
ZIP Archive - 65.9 MB - Jun 9, 2026 - 0 Downloads
SHA-256: 949162480c978b7ff0a3808158f11ac1fb6b81b9776c577eaf8ad8fd7cc13028
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy.
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Fig_01.zip
ZIP Archive - 1.5 MB - Jun 9, 2026 - 0 Downloads
SHA-256: 4d6c3cbe308a03ac22d7a95ac4caa68ca43ef4fb5174e27c2e6b5f5efed0218c
Theory data: File Format containing atomic structure and 3D data
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Fig_02.zip
ZIP Archive - 288.0 MB - Jun 9, 2026 - 0 Downloads
SHA-256: df0cececd6525a263d5897e297f36ca8fd67f0fe308e24f27111bf3ecd8b6b72
Theory data: Files neccessary to reproduce the TDDFT calculations with OCTOPUS and output file of the actual calculations, as well as VTK file containig the photoemission data
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Fig_03_and_Fig_04_and_Fig_06.zip
ZIP Archive - 216.0 MB - Jun 9, 2026 - 0 Downloads
SHA-256: 9a4257dcc22988f86fb7317d203fcb6a237d302ac794c217104435892afcf4bf
Theory data: TDDFT: Files neccessary to reproduce the TDDFT calculations with OCTOPUS and output file of the actual calculations, as well as VTK file containig the photoemission data. SWA: Input and output files of the DFT simulations with NWChem
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Fig_07.zip
ZIP Archive - 3.6 MB - Jun 9, 2026 - 0 Downloads
SHA-256: 19e6270c030fded1c63232183ae08757e6e8e106be088a330d6857452cf84844
Theory data: SWA: Input and output files of the DFT simulations with NWChem
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