Two classes of multisecant methods for nonlinear acceleration

Many applications in science and engineering lead to models that require solving large-scale fixed point problems, or equivalently, systems of nonlinear equations. Several successful techniques for handling such problems are based on quasi-Newton methods that implicitly update the approximate Jacobian or inverse Jacobian to satisfy a certain secant condition. We present two classes of multisecant methods which allow to take into account a variable number of secant equations at each iteration. The first is the Broyden-like class, of which Broyden's family is a subclass, and Anderson mixing is a particular member. The second class is that of the nonlinear Eirola-Nevanlinna-type methods. This work was motivated by a problem in electronic structure calculations, whereby a fixed point iteration, known as the self-consistent field (SCF) iteration, is accelerated by various strategies termed 'mixing'. Copyright (C) 2008 John Wiley & Sons, Ltd.