Minimization and Optimization with a Force Field

NOTICE: This material is copyrighted and all right are reserved. (c) 1998, 1999 J. E. Wampler
Students may make a single copy for study purposes.

Fundamental Concepts

Fundamentals...

First Derivative Methods

First Derivative Methods...

Second Derivative Methods

Second Derivative Methods...

Which method(s) to use?

Author: John E. Wampler

References:

Baysal, C., Meirovitch, H., and Navon, I.M. (1999), J. Comp. Chem. 20, 354-364.
Bevington, P. R. (1969) Data Reduction and Error Analysis for the Physical Sciences, McGraw-Hill Book Company, New York.

Minimization and Optimization with a Force Field

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