[molpro-user] Conical intersection optimization algorithm

Dr Seth OLSEN s.olsen1 at uq.edu.au
Fri Jun 10 09:54:03 BST 2005

Dear Molpro-Users,

When searching for conical intersections, does Molpro use the direct
method of Bearpark,Robb & Schlegel CPL 223 (1994)269-274?  If not, what
algorithm does it use?




Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 


More information about the Molpro-user mailing list