Iterative computer analysis of complex exchange-broadened NMR bandshapes

An Algorithm for Least-Squares Estimation of Nonlinear Parameters

Donald W. Marquardt · Journal of the Society for Industrial and Applied Mathematics · 1963 · 30.4K citations

Natural Sciences, Computational Engineering, Optimization +11

A method for the solution of certain non-linear problems in least squares

Kenneth Levenberg · Quarterly of Applied Mathematics · 1944 · 12.2K citations · Full text

Computing, Mathematics, Algorithms +4

Ground states of molecules. 38. The MNDO method. Approximations and parameters

Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 5.1K citations

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An efficient method for finding the minimum of a function of several variables without calculating derivatives

M. J. D. Powell · The Computer Journal · 1964 · 4.6K citations

Computing, Computer Science, Algorithms +9

A Rapidly Convergent Descent Method for Minimization

R. Fletcher, M. J. D. Powell · The Computer Journal · 1963 · 4.6K citations · Full text

Computing, Computer Science, Mathematics +11