Virial theorem 414 Subject

The stress in the network can then be expressed by the virial theorem, Eq. (6), where in the molecular theory, the set of particles considered is not all the atoms of the system but only the end atoms of each chain, and they are regarded as subject to the force in the chain connecting them. That is, the stress ty is then given by... 

Fernandez and Castro made a careful analysis and generalized the virial theorem for systems subjected to sectionally defined potentials [29]. 

Figure 4.8 Calculation of the hydrogen 2,1 energy using the Slater 2s orbital rendered orthogonal to the hydrogenic Is orbital with the best choice for the Slater exponent subject to two conditions. In the first diagram, the SOLVER based solution is determined by the requirement that the Virial theorem coefficient be 1.00. In the second diagram, the best values for the kinetic and potential energy terms have been determined for the choice of the Slater 2s exponent. Note, the substantial cancellation of mismatches of the r grad transformed Slater function compared to the variation of the transformed exact function.

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