Concepedia

Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces

Antoine Jay, Miha Gunde, Nicolas Salles, Matic Poberžnik, Layla Martin‐Samos, N. Richard, Stefano de Gironcoli, Normand Mousseau, Anne Hémeryck

Computational Materials Science · 2022 · 20 citations · 27 references

DOI

Concepts

References

27

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

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A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

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An iteration method for the solution of the eigenvalue problem of linear differential and integral operators

Cornelius Lanczos · Journal of research of the National Bureau of Standards · 1950 · 4.4K citations · Full text

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A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 1999 · 3.4K citations

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Current Status of Transition-State Theory

Donald G. Truhlar, Bruce C. Garrett, Stephen J. Klippenstein · The Journal of Physical Chemistry · 1996 · 2.3K citations

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