A streamlit web application for running PyFock interactively on the web or your own PC.
gui dft density-functional-theory quantum-chemistry numba pyscf molecular-orbitals electronic-structure-theory pyfock density-cube
- Updated
- Python
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electronic-structure-theory
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RTEST is a Python package for simulating the electronic response of molecules to lasers by means of real-time electronic structure theory.
density-functional-theory quantum-chemistry hartree-fock real-time-simulation tddft tdhf electronic-structure-theory
- Updated
- Python
🖥️ Explore interactive DFT calculations in your browser with PyFock-GUI, a fast Python interface that combines ease of use and powerful performance.
gui dft density-functional-theory quantum-chemistry numba pyscf molecular-orbitals electronic-structure-theory pyfock density-cube
- Updated
- Python
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