Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
Top Cited Papers
- 8 December 2000
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 113 (22), 9978-9985
- https://doi.org/10.1063/1.1323224
Abstract
No abstract availableThis publication has 25 references indexed in Scilit:
- Retardation of O diffusion through polycrystalline Pt by Be dopingPhysical Review B, 1999
- Dissociative chemisorption of methane on Ir(111): Evidence for direct and trapping-mediated mechanismsThe Journal of Chemical Physics, 1997
- Thermal Diffusion Processes in Metal-Tip-Surface Interactions: Contact Formation and Adatom MobilityPhysical Review Letters, 1996
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Reaction path study of conformational transitions in flexible systems: Applications to peptidesThe Journal of Chemical Physics, 1990
- Soft self-consistent pseudopotentials in a generalized eigenvalue formalismPhysical Review B, 1990
- Modeling solid-state chemistry: Interatomic potentials for multicomponent systemsPhysical Review B, 1989
- Diffusion without Vacancies or Interstitials: A New Concerted Exchange MechanismPhysical Review Letters, 1986
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964