Premium
On the non‐existence of maxima in variational computations containing non‐linear parameters
International Journal Of Quantum ChemistryPeer ReviewedTal Yoram +11978Journals
The homogeneity properties of the kinetic and potential energy operators are used to obtain expressions for the second derivatives of the energy expectation value. These are used to demonstrate that in atoms as well as in molecules in the neighborhood of the equilibrium geometry the variational energy cannot have maxima with respect to the non‐linear parameters.
This content is not available in your region!
Continue researching from Zendy home
Having issues? Contact support