Time Dependent DFT in Tamm-Dancoff Approximation
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Oct 5, 2022 - Python
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tddft
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Render Gaussian cube files using Blender and Python
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May 30, 2024 - Python
A Python command-line toolkit for the end-to-end analysis of Q-Chem TDDFT calculations, bridging spectral features to representative molecular structures.
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Aug 26, 2025 - Python
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