Inter-basin dynamics on multidimensional potential surfaces: Kinetic traps

F. Despa, R. S. Berry

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

A statistically based characterization of the topography of a standard potential surface (PS) may allow its reconstruction in basins containing monotonic sequences of local minima and saddles. Starting with this partition of the PS, one can explore kinetic properties of those basins and provide a reliable dynamical diagnosis. We found that certain topographical patterns of the standard PS underly kinetic properties which may lead the probability density to concentrate in basins of high energy, in which "wrong" structures are kinetically favored, rather than in the basin of the global minimum. We examined also considerations that link properties of the contact between the reaction coordinate and thermal bath with the efficiency of relaxation on the PS.

Original languageEnglish (US)
Pages (from-to)203-206
Number of pages4
JournalEuropean Physical Journal D
Volume24
Issue number1-3
DOIs
StatePublished - Jun 2003
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Fingerprint Dive into the research topics of 'Inter-basin dynamics on multidimensional potential surfaces: Kinetic traps'. Together they form a unique fingerprint.

  • Cite this