contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
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Updated
Jan 25, 2017 - Haskell
contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
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A proof of concept restricted Hartree-Fock and DFT software for quantum chemistry
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Lightweight (restricted) Hartree-Fock program for calculating wavefunction values
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C++ Computational Chemistry software designed mainly as a learning tool.
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