Abstract
The identification of localized, broken symmetry, effective potentials is the main problem in the current discussions of localization, ergodicity and chaos. An effective potential based on an exact separation involving an extension of a conditional amplitude previously presented by Hunter can always be constructed. A generalization of the Hellmann-Feynman theorem (HFT) for non-adiabatic situations is presented. Its significance for geometry optimizations, localized excitations and collective electronic motions is discussed.
On leave from: Escuela de Quimica, Facultad de Ciencias, Unibersidad Central de Venezuela, Caracas, Venezuela
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Goscinski, O., Mujica, V. (1987). Adiabatic Separation, Broken Symmetries and Geometry Optimization. In: Erdahl, R., Smith, V.H. (eds) Density Matrices and Density Functionals. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-3855-7_32
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DOI: https://doi.org/10.1007/978-94-009-3855-7_32
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