Direct to:

 

Faculty of Chemistry

MOLPRO

ECP Pseudopotentials

Mathe-Online

PES Database

Journal of Chemical Physics

Molecular Physics

Journal of Chemical Theory and Computation

Deutsche Forschungsgem. DFG

University Library

SimTech

Excellence Initiative


 

Project presentation Lucas Mangold

Locating Transition States using the Lanczos Algorithm
Event date: March 20, 2018 4:00 PM to 4:30 PM

Lucas Mangold will present the results of his project. He implemented the Lanczos algorithm as an alternative to the dimer rotation in minimum mode following. This can be used to find transition states on potential energy surfaces.