Saturday, July 30, 2011

Progress in lower bounds to eigenvalues

Professor Marmorino has long been working on ways to calculate lower bounds to atomic and molecular energies which are the eigenvalues in the famous Schrodinger equation.  When these elusive lower bounds are combined with straightforward upper bounds, error bars result which contain the true energies of the chemical system.

Marmorino's most recent work in this area has just been published in the obviously early release of the September issue Journal of Mathematical Chemistry as Eigenvalue lower bounds with Bazley's special choice of an infinite-dimensional subspace