Time Dependent DFT in Tamm-Dancoff Approximation
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Oct 5, 2022 - Python
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tddft
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Speculate is an open-source Python platform optimizing computational chemistry. It bridges experimental and theoretical work with seamless tool integration, automated setups, and advanced analytics. From deriving kinetic models to refining simulations, Speculate empowers chemists to focus on discovery with precision and efficiency.
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Dec 18, 2024 - Python
Render Gaussian cube files using Blender and Python
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