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Closed-shell RHF Energy Calculations

input and output for HF-SCF calculation
input and output for MP2/MBPT(2) calculation
input and output for CCSD calculation
input and output for CCSD(T) calculation
input and output for CC3 calculation
input and output for CCSDT calculation

input and output for CCSD calculation using partial AO algorithms.
input an output for CCSD(T) calculation using partial AO algorithm

input and output for CCSD(T) calculation using xecc
input and output for CCSD(T) calculation using xecc together with partial AO algorithm
input and output for CCSDT calculation using xecc

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

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Page last modified on November 29, 2010, at 02:46 PM
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CFOUR is partially supported by the U.S. National Science Foundation.