Published January 25, 2024
| Version v1
Dataset
Open
Dataset: Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
Authors/Creators
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1.
Rutgers University–Newark
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2.
Laboratoire de Physique des Lasers, Atomes et Molécules
- 3. PhLAM
Description
This record contains the code, data generated, the figures and jupyter notebooks related to the manuscript titled "Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding".
Files
Profile.pdf
Files
(1.3 GB)
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md5:4c225019c96d6af965249b4ed3e23a24
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1.2 GB | Download |
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md5:1126d731c0855759476647e44de9007f
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88.1 MB | Download |
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md5:13c03de530f655cbad2cc65a29650638
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29.7 kB | Preview Download |
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md5:816ad52863448076544240124c26576c
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30.8 kB | Preview Download |
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md5:87af871c9dd73eedc9baf7c85e9e9f5a
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93.4 kB | Preview Download |
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md5:7ca6086adbdb8fcdcb131409cdd38a09
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16.1 kB | Preview Download |
Additional details
Funding
- Agence Nationale de la Recherche
- CompRIXS - Computation of Resonant Inelastic X-ray Scattering in the condensed phase across the whole periodic table ANR-19-CE29-0019
- Agence Nationale de la Recherche
- Cappa - Physiques et Chimie de l'Environnement Atmosphérique ANR-11-LABX-0005
- Agence Nationale de la Recherche
- ULNE - ULNE ANR-16-IDEX-0004