Next: 7.6 Tables Up: 7 INTRODUCTORY EXAMPLES Previous: 7.4 CCSD(T)

7.5 CASSCF and MRCI

Perhaps you want to do a CASSCF and subsequent MRCI for comparison. The following uses the full valence active space in the CASSCF and MRCI reference function.

Input: h2o_mrci_vtz.com

Output: h2o_mrci_vtz.out



molpro@molpro.net
Feb 26, 2003