mrci configuration selection schemes
Paulo E. Abreu
paulo at qta.uc.pt
Tue Jan 18 16:40:06 GMT 2000
We have read about using molpro to select a subset of the generated
in a mrci/fvcas using an energy criterion or a configuration weight one.
But, we have been unable
to find a way to do this using molpro. Can any of these two schemes be
used in a molpro calculation ?
We would like some help with this subject
Thanks in advance
Paulo E. Abreu and Itamar Borges
More information about the Molpro-user