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 re-derived 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 [Bai, 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.
Quantum Chemistry, Department of Physical and Analytical Chemistry, Uppsala University Box 518, SE-751 20 Uppsala, Sweden.
Hans O
HO
Karlsson