Abstract
The maximum-entropy principle is used to generalize the variational principle for the ground state (Rayleigh-Ritz minimization principle) to ensembles of unequally weighted states. A hierarchy of nested inequalities for the associated ``free energies'' is deduced. Applications of these inequalities to the estimation of the highest multiplet energy and a generalization of density-functional theory to ensembles of quantum states are discussed. Previous results given in the literature are obtained as special cases of our results under isothermal and adiabatic optimizations.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have