[molpro-user] Deleting virtual orbitals in Full CI

H. -J. Werner werner at theochem.uni-stuttgart.de
Mon Apr 11 13:49:22 BST 2005

There is no such possibility.
Joachim Werner
On Mo, 11 Apr 2005, Peter REINHARDT wrote:

>Dear all,
>is there a way to delete virtual orbitals from a CI space 
>in MOLPRO, in order to reduce the number of excitations?
>The manual talks of freezing, occupied and active orbitals,
>but nowhere about skipping virtual orbitals. Or did I miss
>   Peter Reinhardt

Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 4400
Fax.: (0049) 711 / 685 4442
e-mail: werner at theochem.uni-stuttgart.de

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