[molpro-user] Can a center be specified w/o any basis functions

Falcetta, Michael F. MFFalcetta at gcc.edu
Fri Aug 31 21:06:41 BST 2007


I want to specify a center with a pseudopotential but no basis functions
(basically a point charge with a repulsive core).  Is there a way to set
the default basis to be no basis or to enter the basis set explicitly
but with basis functions on a center?  

 

Thanks in advance for your help

 

Mike Falcetta, PhD

Associate Professor, Chemistry

Grove City College

Grove City PA, 16127

724.458.3820

 

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