Abstract
In methods in which electron repulsion is not considered explicitly (HMO, EHT), the relations are simple. For illustration it will be useful to consider a system described, say, by six molecular orbitals (φ 1,φ 2, …,φ 6) and by the corresponding orbital energies (E l, E 2, …, E 6) (Fig. 11–1). The total energy is given by [cf. Eq. (10–115)].
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References
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© 1980 Rudolf Zahradník, Rudolf Polák
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Zahradník, R., Polák, R. (1980). Use of the Solution to the Schrödinger Equation. In: Elements of Quantum Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3921-2_11
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