Jülich DATA

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Jülich DATA is the central institutional repository for research data of Forschungszentrum Jülich.

It serves as a platform for all research data generated at Forschungszentrum Jülich or created in this context. Please feel welcome to index your research data here.

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18,451 to 18,460 of 20,022 Results

SI_H2O.txt Mar 17, 2022 - Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions Plain Text - 7.6 MB - SHA-256: a6bda2bde87d635b15fa15924c4e7ab5bdcdde0de0bc7ff745bb59b41605ce88 Quantum chemical data for SCI and their transition states for reaction with H2O
SI_unimolecular.txt Mar 17, 2022 - Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions Plain Text - 8.3 MB - SHA-256: ab14368e344bd2a72e170c7d0e09f58a01d0381c610d653f45cc16b81815ca0b Quantum chemical data for SCI and their transition states for unimolecular reaction
Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis Mar 16, 2022 - Quantum Mechanics Baumeister, Paul F., 2022, "Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis", https://doi.org/10.26165/JUELICH-DATA/WDRGAX, Jülich DATA, V1 The circular harmonic oscillator is one of the most basic quantum mechanical problems with known analytical solutions in two representations: Radial and Cartesian. This data set provides the coefficients of the unitary transformation connecting the two representations.
cho_radial.hxx Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis Unknown - 2.8 KB - SHA-256: 9b44ad5bc176a2e49ef93ae818f8548e65c5a2d7d300022093930cb65af10ae4 Code C++ header for polynomial coefficients of CHO radial functions
cho_unitary.cxx Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis C++ Source - 16.1 KB - SHA-256: 34b16ff1f8ba6226ba29c6a3d51bf7ebff1e68b5be84ac48d334e3d890d9fbca Code generator code (C++11)
cho_unitary.dat Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis Fixed Field Text Data - 59.2 KB - SHA-256: 5089af84a601028b4233b74b86ae62bd8f73250fb7b24f539cefa6a7a7173129 Data integer coefficients for non-zero matrix elements up to \nu = 23
cho_unitary.hxx Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis Unknown - 7.3 KB - SHA-256: c65f650a30418831d6bc5a18aecb90f2a913f9543783fd397be9caf2aa1c3f8d Code C++ header for reading cho_unitary.dat
cho_unitary.pdf Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis Adobe PDF - 157.9 KB - SHA-256: c25c4b729b19b4c49e6f1b1b5c7f273f78db453ae3864b2a06a3b4e093900cdc Documentation theory document
cho_unitary.tex Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis LaTeX - 8.4 KB - SHA-256: 16e370f617e2a870562e01921ba2046844d22b596f9be4a18c7f49b5f3a73931 theory document source
Replication Data for the studies on HCl discrepancy and on total reactive nitrogen redistribution Mar 16, 2022 - CLaMS Dataverse Grooß, Jens-Uwe, 2022, "Replication Data for the studies on HCl discrepancy and on total reactive nitrogen redistribution", https://doi.org/10.26165/JUELICH-DATA/FBZRVO, Jülich DATA, V1 This data repository provides access to the model data of the study by Grooß et al. (2018) and Ziereis et al. (2022). Grooß et al. investigate the discrepancy between HCl observations in the early Antarctic winter stratosphere and simulations by 3 different models. Ziereis et al...

SI_H2O.txt

Mar 17, 2022 - Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions

Plain Text - 7.6 MB - SHA-256: a6bda2bde87d635b15fa15924c4e7ab5bdcdde0de0bc7ff745bb59b41605ce88

Quantum chemical data for SCI and their transition states for reaction with H2O

SI_unimolecular.txt

Mar 17, 2022 - Replication Data for: Unimolecular and water reactions of oxygenated and unsaturated Criegee intermediates under atmospheric conditions

Plain Text - 8.3 MB - SHA-256: ab14368e344bd2a72e170c7d0e09f58a01d0381c610d653f45cc16b81815ca0b

Quantum chemical data for SCI and their transition states for unimolecular reaction

Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

Mar 16, 2022 - Quantum Mechanics

Baumeister, Paul F., 2022, "Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis", https://doi.org/10.26165/JUELICH-DATA/WDRGAX, Jülich DATA, V1

The circular harmonic oscillator is one of the most basic quantum mechanical problems with known analytical solutions in two representations: Radial and Cartesian. This data set provides the coefficients of the unitary transformation connecting the two representations.

cho_radial.hxx

Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

Unknown - 2.8 KB - SHA-256: 9b44ad5bc176a2e49ef93ae818f8548e65c5a2d7d300022093930cb65af10ae4

Code

C++ header for polynomial coefficients of CHO radial functions

cho_unitary.cxx

Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

C++ Source - 16.1 KB - SHA-256: 34b16ff1f8ba6226ba29c6a3d51bf7ebff1e68b5be84ac48d334e3d890d9fbca

Code

generator code (C++11)

cho_unitary.dat

Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

Fixed Field Text Data - 59.2 KB - SHA-256: 5089af84a601028b4233b74b86ae62bd8f73250fb7b24f539cefa6a7a7173129

Data

integer coefficients for non-zero matrix elements up to \nu = 23

cho_unitary.hxx

Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

Unknown - 7.3 KB - SHA-256: c65f650a30418831d6bc5a18aecb90f2a913f9543783fd397be9caf2aa1c3f8d

Code

C++ header for reading cho_unitary.dat

cho_unitary.pdf

Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

Adobe PDF - 157.9 KB - SHA-256: c25c4b729b19b4c49e6f1b1b5c7f273f78db453ae3864b2a06a3b4e093900cdc

Documentation

theory document

cho_unitary.tex

Mar 16, 2022 - Unitary Transform between Radial and Cartesian Representation of the Circular Harmonic Oscillator Basis

LaTeX - 8.4 KB - SHA-256: 16e370f617e2a870562e01921ba2046844d22b596f9be4a18c7f49b5f3a73931

theory document source

Replication Data for the studies on HCl discrepancy and on total reactive nitrogen redistribution

Mar 16, 2022 - CLaMS Dataverse

Grooß, Jens-Uwe, 2022, "Replication Data for the studies on HCl discrepancy and on total reactive nitrogen redistribution", https://doi.org/10.26165/JUELICH-DATA/FBZRVO, Jülich DATA, V1

This data repository provides access to the model data of the study by Grooß et al. (2018) and Ziereis et al. (2022). Grooß et al. investigate the discrepancy between HCl observations in the early Antarctic winter stratosphere and simulations by 3 different models. Ziereis et al...

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