Home Forums density functional theory the Schrödinger equation – 1 Interactions in a solid:

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  • #12331
    seanium.seanide
    Participant

    For N nuclei and n electrons:

    * Electron-electron (n*(n-1)/2 terms)
    * Nucleus-nucleus (N*(N-1)/2 terms)
    * Electron-nucleus (N*n terms)

    #12332
    seanium.seanide
    Participant

    Note: Electron-electron and nucleus-nucleus interactions are repulsive (positive), and electron-nucleus interactions are attractive (negative).

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