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23 THE CLOSED SHELL CCSD PROGRAM

Bibliography:

C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992)

All publications resulting from use of this program must acknowledge the above.

The CCSD program is called by the CISD, CCSD, BCCD, or QCI directives. CID or CCD can be done as special cases using the NOSINGL directive. The code also allows to calculate Brueckner orbitals (QCI and CCSD are identical in this case). In most cases it is sufficient just to give the keyword specifying the method. Optional ORBITAL, OCC, CLOSED, CORE, SAVE, START, PRINT options work as described for the MRCI program in section 16.



Subsections

P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000