For clamped nuclei and SI units, the many-electron electronic Hamiltonian isThe terms are electron kinetic energy, electron–nucleus attraction, and electron–electron repulsion. The nuclear kinetic operator is omitted in the Born-Oppenheimer approximation. The nuclear repulsionis a constant at fixed separation and is added to electronic energies to form the total potential curve. Some conventions include it in as a constant; the electronic-energy convention used below excludes it so that the two one-electron energies can be compared without double-counting nuclear repulsion.
Articles by others on the same topic
There are currently no matching articles.