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21.4.2 Coupled Pair Functional (ACPF, AQCC)

CPF,ncpf,gacpfi,gacpfe;
ACPF,ncpf,gacpfi,gacpfe;
AQCC,ncpf,gacpfi,gacpfe;

Instead of diagonalizing the hamiltonian, perform CPF calculation (ncpf=2) (not yet implemented) ACPF calculation (ncpf=0) or AQCC calculation (ncpf=1). For ACPF and AQCC, the internal and external normalization factors gacpfi, gacpfe may be reset from their default values of 1, 2/nelec and 1, 1-(nelec-2)(nelec-3)/nelec(nelec-1), respectively.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002