Numerical Recipes

Press and other Numerical recipes in C. Cambridge University Press, 1994... 

Unconstrained optimization methods [W. II. Press, et. ah, Numerical Recipes The An of Scieniific Compulime.. Cambridge University Press, 1 9H6. Chapter 101 can use values of only the objective function, or of first derivatives of the objective function. second derivatives of the objective function, etc. llyperChem uses first derivative information and, in the Block Diagonal Newton-Raphson case, second derivatives for one atom at a time. TlyperChem does not use optimizers that compute the full set of second derivatives (th e Hessian ) because it is im practical to store the Hessian for mac-romoleciiles with thousands of atoms. A future release may make explicit-Hessian meth oils available for smaller molecules but at this release only methods that store the first derivative information, or the second derivatives of a single atom, are used. 

Figures 5.4 and 5.8 Press W H, B P Flannery, S A Teukolsky and W T Vetterling, Numerical Recipes in Fortran. 1992, Cambridge University F ess.

Press, W. H. el ah, 1987. Numerical Recipes -- The Art of Scientific Computing, Cambridge University Press, Cambridge. 

W. H. Press, B. P. Flannery, S. A. Teukolsky, W. T. Vetterling, Numerical Recipes Cambridge University Press, Cambridge (1989). 

Numerous recipes have been pubUshed, primarily ia the patent Hterature, that describe the preparation of acrylate and methacrylate homopolymer and copolymer dispersions (107,108). A typical process for the preparation of a 50% methyl methacrylate, 49% butyl acrylate, and 1% methacrylic acid terpolymer as an approximately 45% dispersion ia water begias with the foUowiag charges ... 

WH Press, BP Flannery, SA Teukolsky, WT Vetterhng. Numerical Recipes The Art of Scientific Computing. Cambridge, UK Cambridge Univ Press, 1989. 

Press, W.H., Teukolsky, S.A., Vetterling, W.T., Flannery, B.P., 1992, Numerical Recipes in C, Cambridge University Press, 2nd edition Richardson, W.H., 1972, Bayesian-based iterative method of image restoration, JOSA 62, 55... 

This book describes and gives Fortran subroutines for a wide variety of ODE solvers. More to the point, it gives numerical recipes for practically anything you will ever need to compute. Volume 2 is also available online. It discusses Fortran 90 in the context of parallel computing. C, Pascal, and Basic versions of Volume 1 can be purchased. 

Press WH, Flannery BP, Teukolsky SA, Vetterling WT. Numerical recipes in C. The art of scientific computing. Cambridge, Cambridge University Press, 1994. 

The general strategies to solve this problem have been discussed extensively in the literature on mathematics [47]. Numerical Recipes [48] and other NMR literature [30, 31, 49] are a good introduction. Even though there are well-established algorithms for performing a numerical Laplace inversion [29-31], its use is not necessarily trivial and requires considerable experience. It is thus useful to understand the essential mathematics involved in the analysis as a better guide to its... 

Press W.H, Teukolsky S.A, Vetterling W.T and Flannery B.P (1992) Numerical Recipes in Fortran, Cambridge University Press. 

William H Press SAT, William T Vetterling, Brian P Flannery (2002) Numerical recipes the art of scientific computing, Cambridge University Press, Cambridge... 

Regression Algorithms. The fitting of structural models to X-ray scattering data requires utilization of nonlinear regression techniques. The respective methods and their application are exhausted by Draper and Smith [270], Moreover, the treatment of nonlinear regression in the Numerical Recipes [154] is recommended. 

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