manual
quickstart
instguide
update
basis
Next: 5.6 Tables
Up: 5 INTRODUCTORY EXAMPLES
Previous: 5.4 CCSD(T)
Contents
Index
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.
h2o_mrci_vtz.com
molpro@molpro.net 2010-07-28