Fermi quantum chemistry program
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Jan 7, 2025 - Julia
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hartree-fock
Here are 7 public repositories matching this topic...
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
julia quantum automatic-differentiation molecule computational-chemistry quantum-chemistry hartree-fock electronic-structure basis-set many-body-physics molecular-integrals
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Mar 31, 2025 - Julia
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
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Apr 9, 2021 - Julia
Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
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Jun 12, 2020 - Julia
Hartree-Fock-Bogoliubov solver for a generic interacting fermion Hamiltonian
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Jan 16, 2021 - Julia
Repository with all the code written for Master Thesis "Microscopic-many-body-calculations-of-spherical-nuclei-with-modern-NN-NNN-forces" solved by Radek Folprecht at CUNI Faculty of Mathematics & Physics in Prague.
hartree-fock mbpt nuclear-physics many-body-perturbation-theory random-phase-approximation tamm-dancoff extended-random-phase-approximation hf-erpa hf-rpa hf-tda
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Mar 19, 2025 - Julia
A Hartree-Fock calculation demo for quantum chemistry
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Dec 29, 2020 - Julia
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