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Open-shell Energy Calculations Using AROHF Reference

input and output for ROHF-SCF calculation

input and output for ROHF-MP2/ROHF-MBPT(2) calculation with semi-canonical ROHF orbitals

input and output for ROHF-MP2/ROHF-MBPT(2) calculation with standard ROHF orbitals

input and output for ROHF-MP4/ROHF-MBPT(4) calculation with semi-canonical ROHF orbitals

input and output for ROHF-CCSD calculation

input and output for ROHF-CCSD(T) calculation

input and output for ROHF-CCSDT calculation

input and output for ROHF-CCSD calculation using partial AO algorithms.

input and output for ROHF-CCSD(T) calculation using partial AO algorithms.

input and output for ROHF-CCSD(T) calculation using xecc together with partial AO algorithms.

input and output for ROHF-CCSD(T) calculation with frozen-core orbitals

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Page last modified on November 12, 2010, at 02:15 PM
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CFOUR is partially supported by the U.S. National Science Foundation.