Journal of Physical Chemistry A, Vol.111, No.41, 10263-10268, 2007
Reduced-order modeling, error estimation, and the role of the start-vector: The recursive residue generation method revisited
The recursive residue generation method (RRGM) [Wyatt, R. E. Adv. Chem. Phys. 1989, 73, 231] is rederived using the formalism of reduced-order modeling [Bai, Z. Appl. Numerical Math. 2002, 43, 9]. A stopping criteria for the RRGM recursions is proposed, on the basis of an expression for an upper bound to the absolute error [B ai, Z.; Ye, Q. Electron. Trans. Numerical Anal. 1998, 7, 1]. It is further pointed out that, in general, the start-vector has a negligible effect on the convergence of the RRGM.