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7.8.1 RCCSD(T) for different
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7 INTRODUCTORY EXAMPLES
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7.7 Procedures
7.8 Using default Procedures
Using the default procedures described in section
2.18
, the above inputs can be simplified even more.
Subsections
7.8.1 RCCSD(T) for different states
7.8.2 SA-CASSCF and MRCI
7.8.3 MP2 geometry optimization
7.8.4 DFT frequency calculation
molpro@molpro.net
Feb 26, 2003