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td-dft
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std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DFT, and SF-Xs-TD-DFT)
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Feb 21, 2025 - Fortran
Plots absorption spectra from from ORCA output files
pythonspectrumdftjupyterplotjupyter-notebookpython3gaussiancomputational-chemistryquantum-chemistryconvolutionmatplotliborcaspectraorca-quantum-chemistrytd-dftuv-visuvvisstick-spectrum
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Oct 2, 2024 - Python
Time-dependent density functional theory post-processing scripts for Quantum Espresso & ce-tddft output files
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Dec 3, 2018 - Fortran
Easily transfer selected states from ORCA output files into tables (Go Edition)
gospectrummarkdowngolangdftcomputational-chemistryquantum-chemistryorcatablesorca-quantum-chemistrytd-dftuv-visuvvis
- Updated
Nov 1, 2024 - Go
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