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Edberg, Evans, and Morriss in Context

To clearly illustrate the special case status of the EEM method, we consider two systems originally treated with EEM a rigid diatomic molecule and an -butane molecule. In each case, the fundamental analytical method equations described in steps la, lb, and Ic, are shown to reduce identically to the corresponding equations of the EEM approach, for = 0, = bond [Pg.91]

For the rigid diatomic molecule, the general holonomic constraint, Eq. [1], takes the special form [Pg.91]

The notation r adopted throughout this chaptei except for the [Pg.91]

With the additional EEM restriction that r = bond-stretching constraint, given by Eq. [14], Eq. [15] becomes [Pg.91]


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