Solving the Sayre equation by simulated annealing
Simulated annealing is used to solve the Sayre equation formulated as a minimization problem. Trial calculations for structures containing up to 126 non-H equal atoms have been carried out. The residual as a function of the fictitious temperature always exhibits a sudden drop before the emergence of the correct structure at low temperature. This behavior casts doubt on the suitability of solving the Sayre equation by steepest-descent methods.
Chen
Y
Department of Physics and Texas Center for Superconductivity, University of Houston, 77204, USA.
Su
WP