Exploring the origins of the power-law properties of energy landscapes: An egg-box model |
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Authors: | Claire P. Massen Rupert W. Nash |
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Affiliation: | a University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, UK b Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, UK c School of Physics, University of Edinburgh, Mayfield Road, Edinburgh, EH9 3JZ, UK |
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Abstract: | Multidimensional potential energy landscapes (PELs) have a Gaussian distribution for the energies of the minima, but at the same time the distribution of the hyperareas for the basins of attraction surrounding the minima follows a power-law. To explore how both these features can simultaneously be true, we introduce an “egg-box” model. In these model landscapes, the Gaussian energy distribution is used as a starting point and we examine whether a power-law basin area distribution can arise as a natural consequence through the swallowing up of higher-energy minima by larger low-energy basins when the variance of this Gaussian is increased sufficiently. Although the basin area distribution is substantially broadened by this process, it is insufficient to generate power-laws, highlighting the role played by the inhomogeneous distribution of basins in configuration space for actual PELs. |
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Keywords: | Energy landscapes Power-laws Scale-free networks |
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