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Valence Bond Formalism Using the Exact Hamiltonian

3 VALENCE BOND FORMALISM USING THE EXACT HAMILTONIAN [Pg.46]

Let us turn now to the calculation of energetic quantities using exact VB theory by considering the simple case of the H2 molecule. The exact electronic [Pg.46]

Hamiltonian is of course the same as in MO theory, and is composed in this case of two core terms and a bielectronic repulsion [Pg.47]

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Exact

Exactive

Exactness

Formal bond

Formalism Using the Exact Hamiltonian

Hamiltonian exact

Hamiltonian valence

The Hamiltonian

Valence-bond formalism