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Barrier Trees of Degenerate Landscapes

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Published/Copyright: April 21, 2008
Zeitschrift für Physikalische Chemie
From the journal Volume 216 Issue 2

The heights of energy barriers separating two (macro-)states are useful for estimating transition frequencies. In non-degenerate landscapes the decomposition of a landscape into basins surrounding local minima connected by saddle points is straightforward and yields a useful definition of macro-states. In this work we develop a rigorous concept of barrier trees for degenerate landscapes. We present a program that efficiently computes such barrier trees, and apply it to two well known examples of landscapes.

Published Online: 2008-04-21
Published in Print: 2002-02
Downloaded on 11.4.2026 from https://www.degruyterbrill.com/document/doi/10.1524/zpch.2002.216.2.155/html
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