[molpro-user] method for conical intersection opt

MHT mht at mrdlab.icas.ac.cn
Thu Sep 14 09:47:20 BST 2006


I need some references which are about the conical intersection 
optimization at manual-32.2.21 of Molpro 2002.6.

What kind of method is used in molpro to find the crossing point. 
Normally, there should be some references are cited in manual.

In gaussian, CPL,223,269,1994, CPL,197,217,1992 and so on, are cited. Most 
of these kind of reference were writen by Prof. M.A. Robb.

thank you all.


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