The Ghent Quantum Chemistry Package for electronic structure calculations
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Oct 15, 2025 - Jupyter Notebook
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configuration-interaction
Here are 9 public repositories matching this topic...
Hartree-Fock Python
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Jan 14, 2023 - Python
Julia code for nuclear shell-model calculations
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Aug 5, 2022 - Julia
CoSMo - Shell Model Code
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Nov 21, 2024 - C++
Python module of Hartree-Fock and configuration interaction with visualization
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Nov 1, 2019 - Python
Property evaluation for general CI expansions
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Sep 24, 2024 - Fortran
QMol-grid provides a MATLAB suite of routines for performing quantum-mechanical simulations in atomic and molecular systems.
dft matlab quantum density-functional-theory quantum-chemistry physical-chemistry matlab-toolbox hamiltonian hartree-fock schrodinger-equation quantum-physics atomic-physics tddft tdhf configuration-interaction hamiltonian-systems
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Oct 18, 2025 - HTML
Fast and simple way to electronic structure methods.
quantum quantum-mechanics molecular-dynamics computational-chemistry quantum-chemistry ab-initio hartree-fock electronic-structure quantum-dynamics configuration-interaction moller-plesset
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Sep 22, 2025 - Zig
Configuration Interaction Program written in pure Rust.
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Jan 24, 2022 - Rust
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