Optimisation: Algorithms and implementation
Some readers have complained that chapter 7 of ref. 190 is too lapidaric and difficult to understand. As there are also too many errors in it (mine, not the typist’s), and as I have changed the optimisation algorithm and widened the scope of optimisation, it seems necessary to rewrite that chapter completely.
KeywordsDipole Moment Rotational Constant Potential Energy Function Valence Angle Equilibrium Conformation
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