In:
Zeitschrift für Physikalische Chemie, Walter de Gruyter GmbH, Vol. 216, No. 2 ( 2002-01-1)
Abstract:
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.
Type of Medium:
Online Resource
ISSN:
2196-7156
,
0942-9352
DOI:
10.1524/zpch.2002.216.2.155
Language:
Unknown
Publisher:
Walter de Gruyter GmbH
Publication Date:
2002
detail.hit.zdb_id:
201103-7
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