Mode-Tracking Based Stationary-Point Optimization

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Author
Bergeler, Maike
Herrmann, Carmen
Reiher, Markus
Date
2015-07
Type
    Journal Article
Publication status
published
External links
Journal / series
Journal of Computational Chemistry
Volume
36(19)
Pages / Article No.
1429 - 1438
Publisher
Wiley
Subject
Transition-state search; Mode-tracking; Davidson subspace iteration; Eigenvector following; Reaction kinetics
Organisational unit
03736 - Reiher, Markus / Reiher, Markus  
Notes
Received 25 December 2014, Revised 30 April 2015, Accepted 11 May 2015, Published online 15 June 2015.
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