Convergence acceleration of iterative sequences. the case of scf iteration. Pulay, P. *Chemical Physics Letters*, 73(2):393–398, 1980. doi abstract bibtex Based on a recent method of Pople et al for the solution of large systems of linear equations, a procedure is given for accelerating the convergence of slowly converging quasi-Newton— Raphson type algorithms. This procedure is particularly advantageous if the number of parameters is so large that the calculation and storage of the hessian is no longer practical. Application to the SCF problem is treated in detail. \textcopyright 1980, All rights reserved.

@article{Pulay1980,
abstract = {Based on a recent method of Pople et al for the solution of large systems of linear equations, a procedure is given for accelerating the convergence of slowly converging quasi-Newton— Raphson type algorithms. This procedure is particularly advantageous if the number of parameters is so large that the calculation and storage of the hessian is no longer practical. Application to the SCF problem is treated in detail. {\textcopyright} 1980, All rights reserved.},
author = {Pulay, P{\'{e}}ter},
doi = {10.1016/0009-2614(80)80396-4},
issn = {00092614},
journal = {Chemical Physics Letters},
number = {2},
pages = {393--398},
title = {{Convergence acceleration of iterative sequences. the case of scf iteration}},
volume = {73},
year = {1980}
}

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