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A parallel algorithm for the enumeration of benzenoid hydrocarbons

Iwan Jensen

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Figure 1

Figure 1. A snapshot of the boundary line (dashed line) during the transfer-matrix calculation on the brickwork lattice. Benzenoids are enumerated by successive moves of the kink in the boundary line, as exemplified by the position given by the dotted line, so that two vertices at a time are added to the rectangle. To the left of the boundary line we have drawn (shaded cells) an example of a partially completed benzenoid.



Figure 2

Figure 2. The two different update cases encountered in the move of the TM boundary line. Red (blue) edges indicate the kink edges before (after) the move.



Figure 3

Figure 3. The possible updates in Case 0 when the input state (leftmost column) has zero, one or two occupied edges. The rightmost column shows the possible outputs.



Figure 4

Figure 4. Similar to figure 3 but for Case 1.



Figure 5

Figure 5. Estimates for the critical point qc (top panels) and critical exponent –1–θ (bottom panels) versus the maximal size h (or number of terms) used in the differential approximant analysis. Each dot represents a data point obtained from a third-order approximant with L = 0, 2, ..., 10. The left panels show a view of most approximants while the right panels are a more detailed view at the data for high values of h.



Figure 6

Figure 6. Estimates for the leading amplitude a1 versus 1/h where h is the maximal size used in the fit to the asymptotic form (6) for the coefficients Bh. The plot in the right panel is a more detailed view of the data in the left panel.




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