[molpro-user] density fitting with ECP or DKH

Zork Zou zorkzou at yahoo.com.cn
Tue May 3 01:36:44 BST 2011


Dear all,
Is it possible to perform DF-HF/DFT/MP2 calculations with ECP or all-electron DKH in Molpro 2010? If it is true, which density fitting basis functions can be used? Thanks!
Wenli
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