Basic HTML version of Foils prepared 15 March 1996

Foil 34 Physical Optimization in Computational Chemistry

From Physical Optimization and Physical Computation CPSP713 Case studies in Computational Science -- Spring Semester 1996. by Geoffrey C. Fox
1 Hamiltonian (used) = Hamiltonianbasic (i.e. that given by Nature) +
2 HC = Hamiltonian ( Constraints from experimental measurements or chemical knowledge)
3 Then can either Evolve system by Monte Carlo
4 or equivalently HC is minimized by Simulated Annealing
5 Or one can Evolve system by Newton's Laws
6 or equivalently HC is minimized by Deterministic Annealing
in Table To:

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