[molpro-user] EOM-CCSD capabilities

Van Dam, HJJ (Huub) huub.van-dam at stfc.ac.uk
Thu Jun 18 22:44:08 BST 2009

Dear Colleagues,

I am planning to do some excited state embedded cluster calculations.
For high accuracy results I am thinking of using EOM Coupled Cluster
methods. From a paper in J.Chem.Phys. 118 3006 I gather that such
methods have been implemented in MOLPRO. However, googling around I have
found little more about this capability. Could anyone comment on the
status of this and if you are using it some pointers to information on
how to use it would be greatly appreciated. 

Many thanks,


Huub van Dam                                     huub.van-dam at stfc.ac.uk
Science and Technology Facilities Council         phone: +44-1925-603933
Daresbury Laboratory                                fax: +44-1925-603634
Daresbury Science and Innovation Campus
Daresbury, Warrington
WA4 4AD 

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