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Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Dec 6, 2025 - Semiconductor Nanostructures Research Group
Toth, Balazs; Gali, Ádám; Thiering, Gergő, 2025, "Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case", https://hdl.handle.net/21.15109/ARP/EXJKGL, ARP, V1
This dataset accompanies the research article about Python code Exe.py that can be used to investigate E⊗e dynamic Jahn-Teller systems.
CH3O_molecule.tar.gz
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Gzip Archive - 1.4 MB - MD5: 90060b5ecf507af8589ccfb117fa19b1
Group_IV_vacancies.tar.gz
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Gzip Archive - 155.2 MB - MD5: 26fd6b2abb15cf22be3cb44f55d1f432
Jahn-Teller_parameters.csv
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Comma Separated Values - 523 B - MD5: 87077321f8c49fc62ba5efe78e5e6a2a
N3V0_C3v_to_C1h_min.csv
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Comma Separated Values - 1.0 KB - MD5: c7fae3096100a34c24bb1a34bf1a7223
N3V0_C3v_to_C1h_sadd.csv
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Comma Separated Values - 1.0 KB - MD5: 0f062e7721e7c384b1d0b973274ff59e
N3V0_point_defect.tar.gz
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Gzip Archive - 201.5 MB - MD5: f1b6a5e98ef3f2f3c3864bfa7376a5ba
N3V_DFT_SOC.csv
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Comma Separated Values - 123 B - MD5: 904130dac53719c4227703123e26c690
model_parameters.csv
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Comma Separated Values - 524 B - MD5: 078889c298442c7171817089e81940db
raw_parameters_from_vasprunxml.csv
Dec 6, 2025 - Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the E⊗e Jahn-Teller case
Comma Separated Values - 613 B - MD5: 3f1f3b20729b1bd99ca0b32ef730beb8
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