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Size-extensivity of exact wave functions

Consider a system of two noninteracting molecular fragments A and B. For such a system, the Hamiltonian operator may be written in the form [Pg.126]

Strictly speaking, the Hamiltonian (4.3.1) is an idealized operator that cannot be realized in practice, but - in the limit of an infinite separation between the fragments - it provides an exact representation of the true operator. [Pg.127]

The exact solution for the combined system represented by the Hamiltonian (4.3.1) satisfies the Schrodinger equation [Pg.127]

We shall consider how this solution is related to the exact solutions for the fragments [Pg.127]

The relations (4.3.8) and (4.3.9) constitute the requirements for size-extensivity. The wave function is said to be multiplicatively separable and the energy additively separable. [Pg.127]


See other pages where Size-extensivity of exact wave functions is mentioned: [Pg.126]   


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