[molpro-user] Fwd: CCSD-F12 correlation factor

Thu May 7 08:38:22 BST 2009

It is exp(-beta r_{12}) with default value beta=1 (can be changed with  
option gem_beta).

H.-J. Werner

> Am 07.05.2009 um 02:56 schrieb Joseph Lane:
>
>> Hi there
>>
>> What is the default correlation factor f(r_12) that is used for  
>> CCSD-F12
>> in Molpro 2008.1?
>>
>>
>> Kind regards
>>
>>
>> Jo
>>
>>
>> -- 
>> Joseph Lane
>> Postdoctoral Research Fellow
>> Department of Chemistry
>> University of Otago
>> P.O. Box 56
>> Dunedin, New Zealand
>> ph +64 3 479 7903
>> email: jlane at chemistry.otago.ac.nz
>>
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>