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For Pan II. see Ref. 36.
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1842780764
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An eigenfunction ensures that the wave function is that of a standing wave for the physical state defined by the Hamiltonian (in this case, an SCF Hamiltonian).
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84865942079
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The scale error (γ) is the difference of the scale factor (η) from I (γ= η-1)
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The scale error (γ) is the difference of the scale factor (η) from I (γ= η-1).
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0 corresponds to the energy of the dissociation of a single bond. This is because π-electronic energy does not include the effect of nuclear displacement.
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