How to parse (read) .XYZ atomic coordinates file using Python? [TUTORIAL]
In this post, I am going to show you guys how to read the atomic coordinates in the .XYZ file format using Python…
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Tag: Molecular systems
RT-TDDFT Implementation with Gaussian Orbitals [Research Summary]
Introduction Real-time time-dependent density functional theory (RT-TDDFT) [1] is a powerful tool for investigating time-dependent responses and electronic dynamics of molecules and materials.…
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