manual   quickstart   instguide   update   basis

Next: Local methods for excited Up: New features of MOLPRO2012.1 Previous: Additional density functionals   PDF

Additional gradient theories: CCSD, DF-MP2, DF-CASSCF, DF-RS2

New analytical gradient codes are now available for DF-MP2, DF-CASSCF, DF-RS2 (including MS and XMS options, also without density fitting), and for CCSD. 2018-08-16