Home Forums density functional theory the Schrödinger equation – 1 Hamiltonian deconstruction

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    KobeVD
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    The Hamiltonian is made out of 5 parts to describe the system.
    .Kinetic E (Nuclei)
    .Kinetic E (e-)
    .Coulomb (Nuclei Nuclei)
    .Coulomb (e- Nuclei)
    .Coulomb (e- e-)

    With these energy terms we can describe the whole system in terms of energy (H).

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