Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

From MaRDI portal
Publication:111192

DOI10.1063/1.1323224MaRDI QIDQ111192

Graeme Henkelman, Hannes Jónsson

Publication date: 8 December 2000

Published in: The Journal of Chemical Physics (Search for Journal in Brave)




Related Items (1)






This page was built for publication: Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points