Next: 21.3.2 Coupled Pair Functional Up: 21.3 Options Previous: 21.3 Options

21.3.1 Coupled Electron Pair Approximation

CEPA(ncepa);

( $0 \le ncepa \le 3$). Instead of diagonalizing the hamiltonian, perform CEPA calculation, CEPA type ncepa. This is currently available only for single configuration reference functions.


molpro@molpro.net
Sep 24, 2008