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A parallel algorithm for the enumeration of benzenoid hydrocarbons

Iwan Jensen

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We present an improved parallel algorithm for the enumeration of fixed benzenoids Bh containing h hexagonal cells. We can thus extend the enumeration of Bh from the previous best h = 35 up to h = 50. Analysis of the associated generating function confirms to a very high degree of certainty that Bh~Aκh/h and we estimate that the growth constant κ = 5.161 930 154(8) and the amplitude A = 0.280 8499(1).


Keywords

series expansions

critical exponents and amplitudes (theory)

 

E-print Number: 0808.0963

Cited: by |

Refers: to

PACS

02.10.Ox Combinatorics; graph theory

31.10.+z Theory of electronic structure, electronic transitions, and chemical binding

05.50.+q Lattice theory and statistics (Ising, Potts, etc.)

02.60.-x Numerical approximation and analysis

31.15.-p Calculations and mathematical techniques in atomic and molecular physics

MSC

82B80 Numerical methods (Monte Carlo, series resummation, etc.) (See also 65-XX, 81T80)

82B41 Random walks, random surfaces, lattice animals, etc. (See also 60G50, 82C41)

05A15 Exact enumeration problems, generating functions (See also 33Cxx, 33Dxx)

Subjects

Atomic and molecular physics

Mathematical physics

Computational physics

Statistical physics and nonlinear systems

Dates

Issue 02 (February 2009)

Received 19 September 2008, accepted for publication 21 January 2009

Published 27 February 2009



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