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20.4.1 Coupled Electron Pair Approximation

CEPA,ncepa;

Instead of diagonalizing the hamiltonian, perform CEPA calculation, CEPA type ncepa. This is currently available only for single configuration reference functions.


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