ConceptMolecular Hamiltonian
Molecular Hamiltonian
A Hamiltonian operator describing molecular systems in quantum chemistry, used to solve for ground-state energies in order to predict chemical reaction pathways. It requires handling the Coulomb interaction between electrons.
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Oct 14
Molecular Hamiltonians come from quantum chemistry, and the goal is usually to find the ground state energy to predict chemical reaction pathways, requiring handling of the Coulomb interaction between electrons.
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